smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CS(=O)(=O)N1CCN(C(=O)Cc2ccc(Br)cc2)CC1 4750551 CSGXGOWXVROTHA-UHFFFAOYSA-N 361.261 1.095 0 50 FDAA Cc1noc([C@H]2CC(=O)N(C3CN(Cc4n[nH]c5ccccc45)C3)C2)n1 864310346 HUQONHGDXQSUOY-LBPRGKRZSA-N 352.398 1.455 0 50 FDAA CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)COc2ccccc2C)CC1 56324834 JSSHUQRIEWTVMG-OAHLLOKOSA-N 368.499 1.940 0 50 FDAA COc1cccc([C@H]2CNC(=O)c3nc(-c4cc(O)ncn4)[nH]c3C2)c1 102457716 JWMLHQYZSHOKLB-LLVKDONJSA-N 351.366 1.651 0 50 FDAA Cc1cc(C)n(-c2cc(NCCNC(=O)c3snnc3C)nc(C)n2)n1 67621115 STQWVFOKSDUYCM-UHFFFAOYSA-N 372.458 1.589 0 50 FDAA Cc1ccc2oc(=O)n(CCC(=O)N3CC[C@]4(CCCN(C)C4=O)C3)c2c1 67883474 CUIDOPOEOSYLOQ-HXUWFJFHSA-N 371.437 1.764 0 50 FDAA Cc1ccc(CCCc2nnc([C@H]3CN(S(C)(=O)=O)CCO3)o2)s1 328636880 OHOPEGAMOAOFQF-CYBMUJFWSA-N 371.484 1.948 0 50 FDAA CC(=O)N(Cc1cncnc1)[C@@H]1CCCN([C@H]2CCN(C(C)C)C2=O)CC1 328626545 FEZXIFMCKLOFFO-MOPGFXCFSA-N 373.501 1.689 0 50 FDAA CCn1c(C2CCN(C(=O)CCc3ccccc3OC)CC2)nn(C)c1=O 67850607 JDYSFEFTRWWIEU-UHFFFAOYSA-N 372.469 1.949 0 50 FDAA C[C@@H](C(=O)N1CCOC[C@H]1c1ncn(CC(F)(F)F)n1)c1cccnc1 329060033 NFZZXHPAUFMDDI-YPMHNXCESA-N 369.347 1.939 0 50 FDAA CCOc1ccccc1CNC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 20460759 KLKTXXMZVQQNJU-UHFFFAOYSA-N 369.487 1.220 0 50 FDAA C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 329860423 XJFONHRQENWPCH-FPCVCCKLSA-N 370.515 1.054 0 50 FDAA O=C(O)Cc1cc(C2CCN(C(=O)C(=O)Nc3cccc(F)c3)CC2)n[nH]1 67562166 BWYVKCLMYHQZDU-UHFFFAOYSA-N 374.372 1.521 0 50 FDAA CC(C)(C)c1nnc(CNC(=O)N2CCC[C@@H](S(C)(=O)=O)CC2)s1 331517974 JCUOUJXBWSXTFS-LLVKDONJSA-N 374.532 1.944 0 50 FDAA Cc1ccc(N2C[C@H](NC(=O)c3cc4n(n3)CCCN(C)C4)CC2=O)cc1 65374381 ZAABGCSGLDXOTM-OAHLLOKOSA-N 367.453 1.562 0 50 FDAA CC(C)n1cc([C@]2(O)CCCN(C(=O)c3n[nH]c4ccccc34)C2)nn1 284507575 BWVKAODEUJKNHD-SFHVURJKSA-N 354.414 1.859 0 50 FDAA C[C@H](C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C)S(=O)(=O)C1CCOCC1 332967485 GRCGFSCBPJKLPS-NMFUWQPSSA-N 359.488 1.289 0 50 FDAA CCCc1c(C(=O)N2CCO[C@H](C(=O)O)C2)cnn1Cc1ccccc1 236887773 AEMVPLQGSDTOBP-KRWDZBQOSA-N 357.410 1.810 0 50 FDAA CCN1CN(C(=O)Nc2ccc(-n3cncn3)c(C(F)(F)F)c2)CC1=O 252494436 NVTJCXMYEJISEK-UHFFFAOYSA-N 368.319 1.940 0 50 FDAA CS(=O)(=O)NC1CCN(c2nccc(CCC(F)(F)F)n2)CC1 71497715 DMGGVNOCXHAERG-UHFFFAOYSA-N 352.382 1.490 0 50 FDAA O=C(C[C@@H]1COCCN1C(=O)CCc1n[nH]c2c1CCCC2)N1CC=CC1 72438916 GKKFWZQUXBMARE-OAHLLOKOSA-N 372.469 1.237 0 50 FDAA COCCN(C)C(=O)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71764091 UTHRKPYIRQEBNF-LJQANCHMSA-N 374.529 1.863 0 50 FDAA COCCCN1C[C@]2(CCCN(C(=O)c3ncccc3O)C2)CCC1=O 77504574 NEIITNWNEOCLOF-IBGZPJMESA-N 361.442 1.669 0 50 FDAA CCCN(C)Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1 77391622 RQVLWLYCTXRXHF-UHFFFAOYSA-N 357.410 1.875 0 50 FDAA O=C(N[C@@H]1CCNC1)c1ccc2c(c1)CN(CCN1CCCCC1)C2=O 77522991 LKXWVAUROHNOHN-QGZVFWFLSA-N 356.470 1.220 0 50 FDAA CC(=O)N1CCc2c(nc(-c3ccncc3)nc2NC[C@@H]2CCOC2)C1 71779961 NSUCLKVEWHLJSZ-AWEZNQCLSA-N 353.426 1.892 0 50 FDAA Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(c2cc(N)nc(N)n2)C1 72406960 DUSBOTGCWVWSAV-CYBMUJFWSA-N 371.493 1.139 0 50 FDAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2ccno2)[C@@H]3C1=O 77458696 PKDRGSOKVAQCNR-LJCCNALRSA-N 373.453 1.851 0 50 FDAA CCCCOC(=O)N1CCN(Cc2ccncc2)[C@@H]2CS(=O)(=O)C[C@@H]21 72429858 YNWTYHIKXHOZGD-CVEARBPZSA-N 367.471 1.302 0 50 FDAA Cc1cccc(N2C(=O)N[C@@H](CCC(=O)N3CC(O)(C4CC4)C3)C2=O)c1 372757532 MBGGZXGAPSUDCI-HNNXBMFYSA-N 357.410 1.183 0 50 FDAA Cn1cc(N2CC[C@@H](NC(=O)c3cc4ccccc4c(=O)n3C)C2)cn1 375762755 KTBMHFUHOHCBCP-CQSZACIVSA-N 351.410 1.281 0 50 FDAA CN(Cc1ccoc1)c1nc(N)nc2c1CCN(C1CCNCC1)CC2 72419203 PKFAAYWUKFSRBC-UHFFFAOYSA-N 356.474 1.441 0 50 FDAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@@H]1COCC[C@@H]1OCCO 218895004 HEKLGDAFMBNWRN-SJORKVTESA-N 350.390 1.441 0 50 FDAA NC(=O)Cc1occc1C(=O)N1CCC[C@@H]1CN1CCc2ccccc21 377131156 DYWJTMOECFNMJF-OAHLLOKOSA-N 353.422 1.975 0 50 FDAA Cc1ccc2[nH]c(CCCNC(=O)[C@@H]3CC4(CCNCC4)CN3)nc2c1C 72165569 BEPZBSSRHJTEIL-KRWDZBQOSA-N 369.513 1.960 0 50 FDAA O=C(c1ccc(=O)[nH]c1)N1CCC[C@@H](Cn2cc(-c3ccccn3)nn2)C1 48284533 BKSDJDLKMKSKTO-CQSZACIVSA-N 364.409 1.581 0 50 FDAA CC1(C)CC(CC(=O)N[C@@H]2CCOC[C@H]2OCC(=O)O)CC(C)(C)N1 222394334 KCCRTJGORNEUTK-ZIAGYGMSSA-N 356.463 1.308 0 50 FDAA O=C(CCn1ccccc1=O)N[C@@H]1COCC[C@H]1OCc1ccccn1 220310367 ZARUJPBNVQAZEJ-IAGOWNOFSA-N 357.410 1.124 0 50 FDAA CCOCCn1nc(C)cc1C(=O)N[C@@H]1CCCN(c2cnccn2)C1 221413810 DTDQIYKGGAKBPW-OAHLLOKOSA-N 358.446 1.417 0 50 FDAA CSc1ccc2cc(CN3CCC[C@H]3CO)c(=O)n(CC(=O)O)c2c1 222326906 DYKDCCZEDXIEDY-AWEZNQCLSA-N 362.451 1.765 0 50 FDAA CCc1n[nH]c(SCC(=O)N2CCC[C@@H](CN3CCOCC3)C2)n1 222838306 LRMNJJAJFDDYFO-ZDUSSCGKSA-N 353.492 1.030 0 50 FDAA Cc1ccc(OC2CCN(C(=O)[C@H]3CCc4nn(C)c(=O)n4C3)CC2)cc1 223450955 YIVOBUQTDMPBCF-HNNXBMFYSA-N 370.453 1.523 0 50 FDAA CS(=O)(=O)NCCNC(=O)c1ccc(CN2CCCCCC2)cc1 426575052 QKBQOZMGOOUPPF-UHFFFAOYSA-N 353.488 1.342 0 50 FDAA Cc1nn(C)c(C(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)c1Cl 223112430 BGKNCJRWALFSIW-ZIAGYGMSSA-N 364.833 1.881 0 50 FDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 225635182 JFUOZIQMCIFVJZ-GNVZVQCLSA-N 368.433 1.498 0 50 FDAA CC(C)c1cc(CN2C[C@H]3CN(C4CCOCC4)C[C@@]3(C(=O)O)C2)no1 96138335 DIDLXXQXCKOVIT-LIRRHRJNSA-N 363.458 1.795 0 50 FDAA Cc1nc(CCNC(=O)[C@H]2CC(=O)N(Cc3ccncc3)C2)sc1C 95390443 DOGRGKJINBINNW-HNNXBMFYSA-N 358.467 1.862 0 50 FDAA COCCn1cnnc1CN(C)C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 426530357 CTZXEROPSNGPRG-LBPRGKRZSA-N 357.418 1.703 0 50 FDAA COC(=O)c1ccc(NC(=O)NC2CCN(CC(N)=O)CC2)cc1Cl 96138923 RNERHAZPMZAYKA-UHFFFAOYSA-N 368.821 1.198 0 50 FDAA Cc1noc([C@@H]2CCCCN2C(=O)CN2CCN(c3ncccn3)CC2)n1 95354339 MXFNPJIKZJYIQB-HNNXBMFYSA-N 371.445 1.044 0 50 FDAA O=C(c1cnc2c(c1)CCCC2)N1CC[C@@]2(CCCN(CCO)C2=O)C1 91505286 LSIDWPRDODFYJA-FQEVSTJZSA-N 357.454 1.407 0 50 FDAA Cc1cccc(C(=O)N2CCC[C@@H](c3nnc(Cn4cccn4)n3C)C2)n1 92098761 BPWCUZDJJAWUPW-OAHLLOKOSA-N 365.441 1.783 0 50 FDAA CCCc1nc(C)cc(N2CCC3(CCC(=O)N(CC(N)=O)C3)CC2)n1 92046258 VGDKRXMXZMQPKR-UHFFFAOYSA-N 359.474 1.432 0 50 FDAA COC(=O)NCC(=O)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 91519314 XVLDDVJBONTJSU-OAHLLOKOSA-N 357.414 1.388 0 50 FDAA CSc1ncc(CNC(=O)Cn2nc(C)c3ccccc3c2=O)n1C 91746065 RJPIBZJIKCCNSV-UHFFFAOYSA-N 357.439 1.477 0 50 FDAA Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NC[C@]1(O)CCS(=O)(=O)C1 295477299 QSWZQEAHIUIKLH-KBXCAEBGSA-N 368.499 1.731 0 50 FDAA Cc1nc(COc2ccccc2C(=O)N2CCO[C@H](CC(=O)O)C2)no1 268938842 DCLWCFKNDIBMTE-GFCCVEGCSA-N 361.354 1.273 0 50 FDAA CC(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1cc3ccccc3n(C)c1=O)C2 91664682 GCAMCXZSBFQGDA-GOEBONIOSA-N 353.422 1.621 0 50 FDAA CC1(C)CN(C(=O)c2cccn2C2CC2)CC[C@]1(O)CN1CCOCC1 91468306 XVBPHCCEKCDBRX-FQEVSTJZSA-N 361.486 1.758 0 50 FDAA CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cc3cc(OC)ccc3[nH]2)CN1C 96141788 HLOMLMMFKPCWCB-KSSFIOAISA-N 372.469 1.847 0 50 FDAA CCSc1nnc(NC(=O)CN2CCC[C@@H](c3nc(C)n[nH]3)C2)s1 244816894 SQLSPMNXAOTCNG-SNVBAGLBSA-N 367.504 1.895 0 50 FDAA CC(=O)N1CSC[C@@H]1C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)O 299747981 FRAXYGQFTITOTC-IUODEOHRSA-N 350.440 1.657 0 50 FDAA Cc1cc2nc(CCNC(=O)N3CCN4C(=O)OC[C@@H]4C3)[nH]c2cc1C 534634311 RDTOPJOOBSVOCC-ZDUSSCGKSA-N 357.414 1.568 0 50 FDAA CSCC[C@H](C(=O)NCc1ccc(S(N)(=O)=O)cc1)n1cccc1 263588280 RDYADKPIUXARCO-OAHLLOKOSA-N 367.496 1.746 0 50 FDAA COC(=O)c1c(-c2ccc(C(=O)N[C@H](C)Cn3cccn3)cc2)cnn1C 534633503 NFWGSYHZHIWYBG-CYBMUJFWSA-N 367.409 1.889 0 50 FDAA CC(C)c1nc(O)ccc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1940195890 UGMYBSXXKWXYPN-UHFFFAOYSA-N 363.439 1.531 0 50 FDAA Cn1c(=O)oc2cc(NC(=O)N3CCCO[C@H](CN4CCCC4)C3)ccc21 299782058 SFNIAODLNIIRCD-OAHLLOKOSA-N 374.441 1.850 0 50 FDAA CC(C)Cc1cc(C(=O)N2CCN(Cc3ccccc3)C(=O)C2)nc(O)n1 299787560 NHUQMVFTOAOUDV-UHFFFAOYSA-N 368.437 1.865 0 50 FDAA Cc1nc(N)sc1C(=O)NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2 299790893 BPMCATDMIKMXLN-UHFFFAOYSA-N 374.470 1.303 0 50 FDAA COc1cccc(CCC(=O)N2C[C@@H](c3c[nH]nn3)[C@@H](CC(=O)O)C2)c1 299793404 HRPQIKHJSZIPDI-DZGCQCFKSA-N 358.398 1.463 0 50 FDAA CCN(C(=O)NCc1ccc2c(c1)nc(C)n2C)[C@H]1CCS(=O)(=O)C1 584901907 JGMNAIQASLFBDG-AWEZNQCLSA-N 364.471 1.600 0 50 FDAA C[C@@H](NC(=O)CCCn1nnc(-c2ccc(F)cc2)n1)c1nncn1C 584891224 CJVLJCOKNSXGOJ-LLVKDONJSA-N 358.381 1.265 0 50 FDAA CC(C)c1noc([C@@H](C)NS(=O)(=O)c2cccc3nn(C)nc23)n1 670435316 YODFBANRFLIOLJ-SECBINFHSA-N 350.404 1.514 0 50 FDAA C[C@@H]1O[C@H](C)C[C@H]1C(=O)NS(=O)(=O)c1cnn(-c2ccccc2F)c1 870214081 HIWQNMAPQBNBNY-NTZNESFSSA-N 367.402 1.630 0 50 FDAA CNC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1ccnn1-c1ccccc1)C2 952850331 KMUSZINYKLXRIC-KUHUBIRLSA-N 354.410 1.097 0 50 FDAA CCN(C[C@H](O)c1ccc(C)cc1)c1ncnc2c1ncn2C[C@H](O)CO 1875269059 BKWWGYNJJNSBBH-HOTGVXAUSA-N 371.441 1.048 0 50 FDAA COc1nc2ccc(CN(CC(=O)O)[C@H]3CCS(=O)(=O)C3)cc2s1 1875291309 UYQQTQCDNSOJHD-NSHDSACASA-N 370.452 1.379 0 50 FDAA CC(C)NC(=O)[C@H]1CCCN1C(=O)NCc1ccc(C[S@](C)=O)cc1 1875304507 MENUGDQAHZMMTH-CPJLOUKISA-N 365.499 1.764 0 50 FDAA CCOc1ncccc1S(=O)(=O)NC(=O)c1ccc(-n2cnnc2)cc1 1875312943 LARUENGJEXRXSY-UHFFFAOYSA-N 373.394 1.180 0 50 FDAA CCn1cc2c(n1)[C@@H](O)CC1(CCN(C(=O)c3ccc(O)nc3C)CC1)O2 1875394748 VQTUSTCLCTZKDY-AWEZNQCLSA-N 372.425 1.803 0 50 FDAA COc1cc(CCC(=O)NS(C)(=O)=O)ccc1OCC(F)(F)F 1875391113 NNJQGRJMEOIFRS-UHFFFAOYSA-N 355.334 1.645 0 50 FDAA CCCC(=O)NC[C@H]1CC[C@H](NC(=O)C2CCS(=O)(=O)CC2)CC1 1875341636 AMIQSKLGVAGULV-CTYIDZIISA-N 358.504 1.403 0 50 FDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3ccncc3C)C2)n1 1875397356 XDFJPHHYJCTGBO-MRXNPFEDSA-N 354.458 1.525 0 50 FDAA Cc1noc(C)c1CN1CC[C@H](NC(=O)c2cc(C3CC3)no2)[C@@H](O)C1 1565511980 XJUQHIRSPGWJDP-HOCLYGCPSA-N 360.414 1.522 0 50 FDAA CCc1nccn1CCC(=O)N[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1O 1565509947 DTELDMUGUPYYTN-IRXDYDNUSA-N 370.453 1.227 0 50 FDAA CC(=O)N1CCC(CC(=O)NCC2CC2)(N2Cc3ccccc3C2=O)CC1 952963425 SGXIVBLOWSCLAD-UHFFFAOYSA-N 369.465 1.940 0 50 FDAA COc1ccc(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cn1 952969187 MPRFUIZJBYQGBE-UHFFFAOYSA-N 371.393 1.580 0 50 FDAA Cn1cnnc1C[C@@]1(O)CCCN(C(=O)C/C=C/c2ccc(F)cc2)C1 886095201 NTVOXAOHDNCMFT-GVTIMSHASA-N 358.417 1.954 0 50 FDAA NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3cccnc3c2)cc1 1351281970 TZGLCKIXGJQORE-UHFFFAOYSA-N 355.419 1.855 0 50 FDAA O=C(Cn1ccccc1=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 275712138 SGZGASAHCJHXCY-MRXNPFEDSA-N 368.437 1.523 0 50 FDAA C[S@](=O)Cc1cccc(C(=O)NS(=O)(=O)c2ccc(Cl)cn2)c1 112158352 FSOKPWHONICYDE-JOCHJYFZSA-N 372.855 1.732 0 50 FDAA CNc1nc(C(N)=O)c(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)s1 1506396951 XIDLNEIGGJAKLN-QMMMGPOBSA-N 351.432 1.013 0 50 FDAA COC[C@@H]1CCCN(S(=O)(=O)NCc2nc(C)c3c(n2)CCCC3)C1 1506403826 ULFHBGCTPIHXQN-CQSZACIVSA-N 368.503 1.357 0 50 FDAA Nc1n[nH]c(SCC(=O)N2CCC([C@H](O)c3cccs3)CC2)n1 1506397923 ZLOOFPCOWBCUCE-LBPRGKRZSA-N 353.473 1.513 0 50 FDAA CN1CC[C@@H]2CN(C(=O)c3csc(-c4ccncc4)n3)C[C@]2(C(=O)O)C1 216898402 XFIGVBRBVSRVTA-FZKQIMNGSA-N 372.450 1.684 0 50 FDAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(c1cccc(C(F)(F)F)n1)C2 219877340 KSZWKGAMKUVGCU-NEPJUHHUSA-N 370.375 1.616 0 50 FDAA O=C1CC[C@@H]2CN(S(=O)(=O)c3cccs3)CC[C@@H]2N1CCCO 215065544 WTUWYUZYMSJHIS-OLZOCXBDSA-N 358.485 1.132 0 50 FDAA Cc1ccc(C(=O)N2CCCN(C(=O)C(=O)c3cccn3C)CC2)c(C)n1 1529186556 IAJBTJXTDABHFW-UHFFFAOYSA-N 368.437 1.594 0 50 FDAA CCNc1ncc(CN2C[C@H]3CN(Cc4ccsc4)C[C@]3(CO)C2)cn1 1772711885 HKCGRSDIPACXME-IEBWSBKVSA-N 373.526 1.896 0 50 FDAA CC1(C(=O)N[C@]2(C)CCOC3(CCN(Cc4ccncc4)CC3)[C@H]2O)CC1 1772700342 CYXGQSAUZFZCQZ-FXAWDEMLSA-N 373.497 1.872 0 50 FDAA CCNC(=O)N1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 11667909 PXEQGKOZIAQISZ-INIZCTEOSA-N 373.501 1.604 0 50 FDAA C[C@@H](Cc1cccnc1)NC(=O)Cn1nnnc1CN1CCCCCC1 11873803 XYGMTSIFOXJXAV-HNNXBMFYSA-N 357.462 1.192 0 50 FDAA COC(=O)[C@@H]1CCCN1C(=O)CC[C@]1(Cc2cccs2)CCC(=O)N1 12453246 DUWPVKXEFDFZDQ-KSSFIOAISA-N 364.467 1.884 0 50 FDAA Cc1c(CN2CCC[C@]3(CCc4c(O)nc(N(C)C)nc43)C2)cnn1C 1857690949 WGYLKITVDFJXKW-IBGZPJMESA-N 356.474 1.770 0 50 FDAA CN(CCO)C[C@H](O)C1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1 1857734089 DIJXSANWXOEHMA-SFHVURJKSA-N 374.485 1.019 0 50 FDAA Cc1ccccc1C(=O)NCC(=O)N[C@H]1CCN(Cc2ccccc2)C1=O 363106815 ZYEYQCVFQDLLJD-SFHVURJKSA-N 365.433 1.642 0 50 FDAA C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCC(Nc2cccnn2)CC1 365045588 KFQWPCKXNJQNGH-CQSZACIVSA-N 356.426 1.839 0 50 FDAA O=C(NCc1nc(CN2CCN3CCOC[C@H]3C2)cs1)c1ccccc1 368815784 GVFQFDHSKJAWSS-QGZVFWFLSA-N 372.494 1.590 0 50 FDAA CCCn1c(=O)n(CCC(=O)N2CCC[C@H](C(=O)O)C2)c2ccccc21 237013845 ZONTWEHSKXADRX-AWEZNQCLSA-N 359.426 1.926 0 50 FDAA COc1ccnc(N2CCN(C(=O)c3ccc4c(c3)ncn4C)CC2)c1 131433369 RDJHEVATWNADRP-UHFFFAOYSA-N 351.410 1.939 0 50 FDAA CC1(C)CN(C(=O)C(=O)N[C@@H](Cc2ccccn2)c2ccccc2)C[C@H]1N 911231774 ZPODUDZGSZXNLZ-ZWKOTPCHSA-N 366.465 1.677 0 50 FDAA O=C(O)C1(C(F)(F)F)CCN(c2cc(N3CCC[C@@H]3CO)ncn2)CC1 910471495 QVRQDQIWHLXTES-LLVKDONJSA-N 374.363 1.671 0 50 FDAA Cc1nnc2n1C[C@H](C(N)=O)N(C(=O)c1ccc(C3=CCCC3)cc1)C2 818346757 OCHZFFGZLLGGBN-MRXNPFEDSA-N 351.410 1.664 0 50 FDAA C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCn2nc(C3CC3)cc2C1 932610434 IPCIXVCULYMWPY-CZUORRHYSA-N 359.474 1.981 0 50 FDAA Cc1[nH]c(-c2ccc(F)cc2)nc1C(=O)N1CCO[C@H](c2nn[nH]n2)C1 2100483356 NWIHVLBQBNTJHC-LBPRGKRZSA-N 357.349 1.251 0 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372.465 1.952 0 50 FDAA NS(=O)(=O)C[C@@H]1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)C1 244715820 LCYYPPTUQRFFJA-GFCCVEGCSA-N 361.467 1.797 0 50 FDAA CC(C)c1ccc(N2C(=O)[C@@H](CC(=O)NCCn3cccn3)N=C2O)cc1 252539851 ONELLLQWDHSGRW-MRXNPFEDSA-N 369.425 1.842 0 50 FDAA COc1cccc(N2CCN(C(=O)c3cc4c(O)nc(C)cn4n3)CC2)c1 263617085 LZRLCGKAPSXITA-UHFFFAOYSA-N 367.409 1.714 0 50 FDAA CCOc1ccccc1[C@@H](CC(=O)N1CC[C@](C)(C(=O)O)C1)NC(C)=O 299741096 CTCGKYNAWNETBI-BEFAXECRSA-N 362.426 1.976 0 50 FDAA CCCCN1CCn2nc(CNC(=O)N3[C@H]4CC[C@@H]3CCN(C)C4)cc2C1 534666180 NWJXPJLNDABOPK-MSOLQXFVSA-N 374.533 1.877 0 50 FDAA Cc1nnn(C23C[C@H]4C[C@@H](CC(NC(=O)c5ccc(CN)cc5)(C4)C2)C3)n1 534650486 TVUVPQXZFNMQEJ-MVYVIFSASA-N 366.469 1.918 0 50 FDAA O=C([C@@H]1CCCO1)N1CCCN(S(=O)(=O)c2cccc(F)c2)CC1 368913953 WBPWWWHYJDEZIE-HNNXBMFYSA-N 356.419 1.228 0 50 FDAA O=C1C[C@H](NC(=O)C2(Cn3cccn3)CC2)CN1Cc1cccc(F)c1 72144934 XNXDKTPVTQWXCQ-INIZCTEOSA-N 356.401 1.720 0 50 FDAA COc1cccc(SCC(=O)N2CC[C@@H](Nc3ncccn3)[C@H](O)C2)c1 299772119 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1565514096 SBLNJNAOJWXGQS-KXBFYZLASA-N 358.442 1.579 0 50 FDAA CN(CC(=O)NC1CC1)S(=O)(=O)c1cc(F)ccc1Br 269367508 RJUQSRZIHJWDRG-UHFFFAOYSA-N 365.224 1.487 0 50 FDAA Cc1cc(C(=O)O)cc(S(=O)(=O)N2CC[C@@H](N3CC=CC3)C2)c1C 185074817 ZSQDHSOTAHBIFK-OAHLLOKOSA-N 350.440 1.636 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cc[nH]n2)CN1C/C=C/c1ccccc1 91288635 OXJGBEJMWGMSPG-YKLDRSPPSA-N 367.453 1.432 0 50 FDAA C[C@@H](C(=O)NS(=O)(=O)N1CCCc2ccccc21)C1CCOCC1 166069270 NBYKMEFTTKATPE-CYBMUJFWSA-N 352.456 1.863 0 50 FDAA CCc1nc(-c2ccc(C(=O)NC3(c4ncon4)CCOCC3)cc2)n[nH]1 273311766 WYZUJQAPRQQFSY-UHFFFAOYSA-N 368.397 1.853 0 50 FDAA CCN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cccnc2)cc1 408521593 ZWVJNWBRIJOSQP-UHFFFAOYSA-N 355.441 1.523 0 50 FDAA O=C(CCn1cncn1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 275769349 XNLPMFYZJXJXSV-HNNXBMFYSA-N 356.430 1.343 0 50 FDAA NC(=O)c1cccnc1N1CCN(C(=O)c2cc3sccc3[nH]2)CC1 191996511 MTQBQJCPNMPEMC-UHFFFAOYSA-N 355.423 1.686 0 50 FDAA O=C(Cn1ccc(C(F)(F)F)cc1=O)NCc1ccc2c(c1)OCO2 192565804 LWRFVSYMDKBMRT-UHFFFAOYSA-N 354.284 1.912 0 50 FDAA Cc1cnc2c(C(=O)Nc3ccccc3N3C(=O)N[C@H](C)C3=O)cnn2c1 1506426230 FENUIHAPSRAXKA-LLVKDONJSA-N 364.365 1.735 0 50 FDAA O=C(c1ccnc(NCC2CCN(C(=O)C3CC3)CC2)c1)N1CCOCC1 1529113330 FLOSQDHQJLZVFQ-UHFFFAOYSA-N 372.469 1.615 0 50 FDAA CNc1nc(C(N)=O)c(NC(=O)[C@@H]2CCCN(c3ccccn3)C2)s1 1529100814 ZULOSVLHAFQDAI-SNVBAGLBSA-N 360.443 1.534 0 50 FDAA Cc1cc(F)ccc1NC(=O)CN1CCCN(C(=O)c2[nH]cnc2C)CC1 1529159168 PRENREJLTYCAIZ-UHFFFAOYSA-N 373.432 1.952 0 50 FDAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)N(C)Cc2ccco2)cc1OC 1529178853 RCOIUJZUKDQQSG-MSOLQXFVSA-N 374.393 1.512 0 50 FDAA Cc1ccccc1C(=O)NC[C@H]1CCN(C(=O)C2(O)CCCC2)C[C@@H]1O 215384605 RGRBVXRERHDLJA-WBVHZDCISA-N 360.454 1.239 0 50 FDAA Cc1ccc(S(=O)(=O)N2CC[C@@H](O)[C@@](CC3CC3)(C(=O)O)C2)c(F)c1 1772701479 MWJSLDJOVDFJOL-WBVHZDCISA-N 371.430 1.761 0 50 FDAA O[C@@H](COc1cccc(CNC2CCOCC2)c1)CN1CCOCC1 11874097 UFDXBSXWXSIXFH-GOSISDBHSA-N 350.459 1.027 0 50 FDAA Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1Cc1ccccc1Cl 12373991 UQEUCTBFJVCYHB-UHFFFAOYSA-N 357.801 1.995 0 50 FDAA Cc1cccc(C)c1Oc1ncccc1CNC(=O)CN1CC(=O)NC1=O 15065627 RHNYAXYIZSSCCC-UHFFFAOYSA-N 368.393 1.659 0 50 FDAA Cc1ccc(C(=O)Nc2cccnc2)cc1S(=O)(=O)N1CCOCC1 1230691 LXGUYGPHKMAZEY-UHFFFAOYSA-N 361.423 1.663 0 50 FDAA CC1(C)CC(=O)c2cc(C(=O)NCCO)c(=O)n(-c3ccccc3)c2C1 2809795 JUYXCNLBEZDART-UHFFFAOYSA-N 354.406 1.715 0 50 FDAA Cc1ccccc1C(=O)NCCCNC1=NS(=O)(=O)c2ccccc21 2812100 GRAAYAUGOGFGTE-UHFFFAOYSA-N 357.435 1.854 0 50 FDAA Cn1ccnc1CN1CCC(C2CCN(C(=O)[C@@H]3CCOC3)CC2)CC1 1857722350 IXIQLWOXXCCNNA-GOSISDBHSA-N 360.502 1.907 0 50 FDAA Cc1nn(C)cc1C(=O)N1CC[C@H]2[C@H](CCC(=O)N2CCc2cnc[nH]2)C1 213110615 DCFVKWFTDGVFPN-PBHICJAKSA-N 370.457 1.147 0 50 FDAA CS(=O)(=O)N(C1CCC1)[C@H]1CCCN(C(=O)c2cccnc2O)CC1 328625570 DGPHZVAQVLKJIJ-AWEZNQCLSA-N 367.471 1.596 0 50 FDAA CNC(=O)c1ccc(S(=O)(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1 241157228 JVXQIYHYJVRYDN-SFHVURJKSA-N 373.478 1.724 0 50 FDAA COCC(C)(C)C(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1 247843094 LMOYEQQEKGWCKQ-OCCSQVGLSA-N 351.472 1.765 0 50 FDAA O=C1CCSc2ccc(C(=O)N3CC(NC(=O)C4CCC4)C3)cc2N1 375344551 JQCSJPKNFFIUQN-UHFFFAOYSA-N 359.451 1.862 0 50 FDAA O=C(CCc1ncc(-c2ccccc2F)o1)N1CCO[C@H](c2nn[nH]n2)C1 377600942 OJBXDMMYCNOTGJ-AWEZNQCLSA-N 372.360 1.527 0 50 FDAA O=C(NCc1cccc(Cl)c1)N[C@H]1CCn2ccnc2C1 160226737 FHQKNAQJHNQSHV-YPMHNXCESA-N 304.781 2.351 0 50 FDAA C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NS(=O)(=O)[C@H]1CCNC1 901114555 UMWSDVVTZDBHDM-GWCFXTLKSA-N 364.389 1.692 0 50 FDAA CCC[C@]1(C(=O)O)CN(S(=O)(=O)c2ccc(CC)cc2)CC[C@H]1O 1704338559 UXUKWYGRNUCPAQ-WBVHZDCISA-N 355.456 1.875 0 50 FDAA CCN(CC)C(=O)N1CCC(C(=O)N[C@@H](CO)Cc2cncs2)CC1 913699577 CHTBLAYPJYBXGJ-CQSZACIVSA-N 368.503 1.337 0 50 FDAA Cn1cc([C@@H]2C[C@H](C(=O)OC(C)(C)C)CN(C(=O)C3CC(=O)C3)C2)cn1 827527271 CROZRVBOEMHTBL-KGLIPLIRSA-N 361.442 1.673 0 50 FDAA CO[C@@H]1C[C@H](CNC(=O)c2cc3cccnc3[nH]2)N(c2ccncn2)C1 952887353 PBLRXTMFDHFIDE-ZIAGYGMSSA-N 352.398 1.377 0 50 FDAA NC(=O)[C@@H]1CCO[C@@H]1CC1CCN(C(=O)c2ncccc2Cl)CC1 952886276 LILKITIRCWTZRB-TZMCWYRMSA-N 351.834 1.868 0 50 FDAA Cc1ccc([C@@H]2CC(=O)N(C[C@@H]3CC[C@H](C(=O)N(C)C)O3)C(=O)N2)cc1 1875278758 CUQLIXCOSQDERZ-HRCADAONSA-N 359.426 1.614 0 50 FDAA CS(=O)(=O)NCCNC(=S)Nc1ccc(Oc2cnccn2)cc1 1875253345 PDYOQQDKTVTZPI-UHFFFAOYSA-N 367.456 1.105 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)C1 1875370937 JGNXEEZNXPNVSH-OCCSQVGLSA-N 357.410 1.619 0 50 FDAA O=C(Cc1ccc2ncccc2c1)N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O 1875402847 NFTCUTHQFFWGOR-KFKAGJAMSA-N 350.422 1.930 0 50 FDAA Cc1noc(C[C@@]2(O)CCCN(C(=O)Cn3cc4ccccc4n3)C2)n1 888078364 LVRXDRWSRYLOFD-SFHVURJKSA-N 355.398 1.324 0 50 FDAA CC(C)c1cc(CNC(=O)c2cn3c(n2)CCN([C@@H]2CCOC2)CC3)no1 2100483351 NENSMWFNBVFCOW-OAHLLOKOSA-N 373.457 1.572 0 50 FDAA Cn1cc(-c2cccc(C(=O)N[C@@H]3C[C@H](Cn4cccn4)C[C@H]3O)c2)cn1 2325785695 JIAZTNNULKEZCG-GDIGMMSISA-N 365.437 1.853 0 50 FDAA CN(C[C@@H]1CNCCO1)C(=O)C(=O)N1CCC[C@H]1c1ccc(F)cc1F 2325787722 SHKDDSSTKQAKNN-BBRMVZONSA-N 367.396 1.075 0 50 FDAA COc1ccc2[nH]cc(C[C@@H]3NC(=O)[C@@H]4COC5(CCC5)CN4C3=O)c2c1 2325809039 YLKOAWOOBTXZCY-IRXDYDNUSA-N 369.421 1.368 0 50 FDAA CCCCn1c(N)c(N(CC)C(=O)[C@]2(F)CCO[C@H]2C)c(O)nc1=O 2325824218 UYRXSSQQHZBWRY-QFYYESIMSA-N 356.398 1.201 0 50 FDAA CN(CCCN(C)C(=O)Cc1cc(C2CC2)on1)C(=O)Cc1cc[nH]c1 2325867436 WDLWWTCSPIXUGK-UHFFFAOYSA-N 358.442 1.972 0 50 FDAA CN1CC[C@H](C(=O)Nc2ncc(S(=O)(=O)NC(C)(C)C)s2)CC1=O 1438531356 RQCZMJXVNLHDMM-VIFPVBQESA-N 374.488 1.027 0 50 FDAA O=C(NCC(=O)N1CCc2ccccc21)N[C@@H]1CCCN2CCSC[C@H]12 916120990 FJJNDQCQRCKTGE-NVXWUHKLSA-N 374.510 1.455 0 50 FDAA COc1cccc2[nH]c(C(=O)N3CCC4(CC3)C[C@](C)(O)[C@@H](O)CO4)cc12 2356140861 QSSAVRYPHIPEKG-HKUYNNGSSA-N 374.437 1.684 0 50 FDAA O=C(c1ccc2scnc2c1)N1CCC[C@]12CCCN(CCO)C2=O 2356162635 HIFJRCDDANVLBS-SFHVURJKSA-N 359.451 1.886 0 50 FDAA C[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccccc1)C(=O)O 2983180 QAXOJZDNUSMDAG-WBMJQRKESA-N 358.369 1.756 0 50 FDAA COc1ccccc1N(CC(=O)NCCc1ccccc1)S(C)(=O)=O 2986027 CGZSCKCBKQAEKB-UHFFFAOYSA-N 362.451 1.820 0 50 FDAA biogenic CCCNS(=O)(=O)c1cc(C(=O)NCCOC)ccc1N1CCCC1 10009847 GLSIGBMXDPJHFB-UHFFFAOYSA-N 369.487 1.351 0 50 FDAA Cc1ccc(NC(=O)[C@@H](C)NC(=O)CSc2nnc(N)s2)c(F)c1 55368754 GGSLQCXDEZCFDT-MRVPVSSYSA-N 369.447 1.803 0 50 FDAA O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1n[nH]c2c1COCC2 102538443 AEPUSVTZCJBHBL-UHFFFAOYSA-N 369.425 1.909 0 50 FDAA CC(C)Cc1n[nH]c(NC(=O)NC[C@H](c2cccnc2)N2CCOCC2)n1 23582012 KVBHZFTWQXEXTE-OAHLLOKOSA-N 373.461 1.593 0 50 FDAA Cc1cccc2nc(CNC(=O)c3cc(CN4CCOCC4)on3)cn12 67605709 JROFDJIZQMJZHR-UHFFFAOYSA-N 355.398 1.393 0 50 FDAA CNCC(=O)NCc1cccnc1N1CCN(c2ccccc2OC)CC1 67561966 RMPOMBLUAKWRDE-UHFFFAOYSA-N 369.469 1.252 0 50 FDAA CCc1cnc(C)nc1N1CCN(Cc2ccc3c(c2)OCO3)C(=O)C1 65407671 MWSFQAJRSSKFHK-UHFFFAOYSA-N 354.410 1.925 0 50 FDAA CCN1CCN(Cc2cc(C(=O)N(C)C[C@@H]3CCCCN3C)no2)CC1 67967713 DBFIKIALINPINH-INIZCTEOSA-N 363.506 1.368 0 50 FDAA O=C(Cn1nc2c(cc1=O)CCCC2)N1CCO[C@H](c2ccccc2)C1 61718247 XQIOSJPSCPBZPK-SFHVURJKSA-N 353.422 1.722 0 50 FDAA CC[C@@]1(C2CCNCC2)NC(=O)N(Cc2nc(-c3ccco3)no2)C1=O 67871308 SYIBUZDNBLWOBT-KRWDZBQOSA-N 359.386 1.530 0 50 FDAA CCn1c([C@H]2CCCN(C(=O)CCc3c(C)nn(C)c3C)C2)nn(C)c1=O 67642436 RWGVWMDIMHCLIB-HNNXBMFYSA-N 374.489 1.291 0 50 FDAA CCN(CC)Cc1cnc2c(C(=O)N[C@H]3CCCN(C(C)=O)C3)cnn2c1 67965715 PMVFZCVVPOTZCG-INIZCTEOSA-N 372.473 1.312 0 50 FDAA CCCc1cc(C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)ccn1 65396203 DELIWMWZDWQTQR-UHFFFAOYSA-N 366.487 1.133 0 50 FDAA O=C(O)CCC1(CCC(=O)O)CCC(CCC(=O)O)(CCC(=O)O)C1=O 25500780 JSKOEDSLYAEINT-UHFFFAOYSA-N 372.370 1.781 0 50 FDAA O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[C@H](n2cccn2)C1 329757929 ZRSVGRARDRGLJP-INIZCTEOSA-N 374.466 1.755 0 50 FDAA O=C(O)c1cn(C[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)nn1 65406482 NSTQZAYSGGDKKM-AWEZNQCLSA-N 364.427 1.218 0 50 FDAA CC(C)(C)c1ccc2oc(CN3CC(=O)N4CC[C@@H](O)C[C@H]4C3=O)nc2c1 65406654 DIHIODPVPVDTMS-HIFRSBDPSA-N 371.437 1.819 0 50 FDAA O=C(NCc1cccnc1N1CCC[C@H](O)C1)c1ccc2[nH]nnc2c1 67920979 LKIKQHFPNMKSCD-AWEZNQCLSA-N 352.398 1.244 0 50 FDAA O=C(CN1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1)NCC1CC1 252494514 NXSCQGJACLZLLM-HNNXBMFYSA-N 371.359 1.584 0 50 FDAA C[C@H](C(=O)O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 237403522 JKSVBCUAYYHMTO-SECBINFHSA-N 356.220 1.968 0 50 FDAA O=C(NCc1csc(Cc2ccccc2)n1)c1cn2c(n1)CNCC2 72124054 PQSQXGTZZBVJOY-UHFFFAOYSA-N 353.451 1.964 0 50 FDAA N[C@@H]1CCC[C@@H](C(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)C1 237870012 GHNCSOICMXCZGH-MPKXVKKWSA-N 354.834 1.778 0 50 FDAA O=C(NCCCO)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71416208 PMZMFLOLTVUDKH-GOSISDBHSA-N 360.502 1.257 0 50 FDAA Cc1cccc2c(N3CCCC3)nc(CNC(=O)[C@@H]3CCC(=O)N3)nc12 14879077 AMVJYOVLPSBCJB-AWEZNQCLSA-N 353.426 1.433 0 50 FDAA CCN1CC2(CCN(C(=O)c3cc(=O)c4ccccc4[nH]3)CC2)OC1=O 72433089 MNKAZSVMFJJCLR-UHFFFAOYSA-N 355.394 1.975 0 50 FDAA Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(C(=O)c2ccnc(N)c2)C1 72475570 JNBMMXJZRPSBNP-OAHLLOKOSA-N 369.473 1.408 0 50 FDAA Cc1nc2c(c(N3CCC(C(=O)NCc4ccccn4)CC3)n1)CCNC2 71747640 WDBIPUXWKGXHGW-UHFFFAOYSA-N 366.469 1.359 0 50 FDAA 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FDAA COc1ccc(C2(C(=O)N[C@@H]3CCOC[C@H]3OCCN(C)C)CC2)cc1 223077514 CXAKKPGDKAZSLK-QZTJIDSGSA-N 362.470 1.579 0 50 FDAA O=C(NCc1ncc2c(n1)CCC2)c1cn(CC[C@H]2CCCCN2)nn1 82160823 UQADMRZZMUSAES-CQSZACIVSA-N 355.446 1.019 0 50 FDAA Cc1cccc(-c2noc(CCC(=O)N3CCN(c4nc[nH]n4)CC3)n2)c1 426428987 UMHQFLUIYXJGEJ-UHFFFAOYSA-N 367.413 1.445 0 50 FDAA COc1cccc(C(=O)NCCC(=O)N2CCC(c3nccn3C)CC2)c1 91645516 PIJZNTOBMVCAOS-UHFFFAOYSA-N 370.453 1.955 0 50 FDAA COc1cccc(CC(=O)N2CCN(Cc3ccccc3)C[C@H](O)C2)c1 95499340 QKMSDKQXMYOOIY-IBGZPJMESA-N 354.450 1.943 0 50 FDAA CN1Cc2ccccc2N(CC(=O)N2CC[C@]3(CCCNC3=O)C2)C1=O 91390868 IXEARFQITXMWLA-LJQANCHMSA-N 356.426 1.187 0 50 FDAA COc1ccc(NC(=O)NC2CCN(CC(=O)NC3CC3)CC2)c(F)c1 97475075 NWZONIKUVFCVDU-UHFFFAOYSA-N 364.421 1.699 0 50 FDAA COCCc1nc([C@H]2CCc3nn(C)c(=O)n3C2)n(Cc2ccccc2)n1 96165732 WUTMGRXKAJDYAC-HNNXBMFYSA-N 368.441 1.141 0 50 FDAA CCc1nc2ccccc2n1CCC(=O)N1C[C@H](CO)[C@H](CN(C)C)C1 91474013 YJPDKQNQTJUZPN-HZPDHXFCSA-N 358.486 1.617 0 50 FDAA Cc1nc(C2CCN(C3CCOCC3)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 96149835 SFDSJHFYVOSSHG-MRXNPFEDSA-N 368.503 1.305 0 50 FDAA O=C(c1cn(C2CCNCC2)nn1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 237990261 QQLLVNAAVAZDEH-IEBWSBKVSA-N 369.469 1.931 0 50 FDAA Cn1cccc1-c1cc(C(=O)N2CCCN(C(=O)[C@@H]3CCCO3)CC2)[nH]n1 91410370 UHSKWBXTAXXAIL-KRWDZBQOSA-N 371.441 1.269 0 50 FDAA Cn1cccc1C(=O)N1CCC(c2nnc(CN3CCOCC3)n2C)CC1 96149370 KVJHBOVVGZFJEK-UHFFFAOYSA-N 372.473 1.006 0 50 FDAA CN1CCc2nc[nH]c2C12CCN(C(=O)[C@@H]1CC(=O)OC13CCCC3)CC2 91424889 FLGGAFKQFBSDDI-AWEZNQCLSA-N 372.469 1.591 0 50 FDAA NC(=O)NCC(=O)N1CCC[C@]2(CCC(=O)N(CCc3ccccc3)C2)C1 91441260 HDHUNIPGNOMDIV-FQEVSTJZSA-N 372.469 1.129 0 50 FDAA CC(=O)C(=O)N1CCC2(CC1)CC(=O)N(Cc1ccc(F)c(F)c1)C2 91365273 VWLJWMQTPCZCGH-UHFFFAOYSA-N 350.365 1.895 0 50 FDAA CN(C)[C@H](C(=O)N1CCN(CCN2CCCC2)CC1)c1ccc(F)cc1 91452450 LAPSRJPRIRHINZ-IBGZPJMESA-N 362.493 1.668 0 50 FDAA Cc1csc(N2C(=O)N[C@H](CC(=O)NCCc3ccccn3)C2=O)n1 334161354 ZCNCXSLJRIHALE-GFCCVEGCSA-N 359.411 1.020 0 50 FDAA CN1C(=O)C2(CCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)CC2)c2ccccc21 92078325 ZDWKLBHERDAEJZ-CQSZACIVSA-N 367.449 1.534 0 50 FDAA CSc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)cc1 95354150 DLIHDTWYZZONEL-IAGOWNOFSA-N 363.527 1.336 0 50 FDAA Cn1ccnc1C1CCN(C(=O)CCS(=O)(=O)c2ccccc2)CC1 91737635 YYDXRQIAGYUKJQ-UHFFFAOYSA-N 361.467 1.990 0 50 FDAA O=C1N(C2CCCCC2)CCC[C@@]12CCN(S(=O)(=O)c1cn[nH]c1)C2 91664964 YHWXKHRNQBGFQB-KRWDZBQOSA-N 366.487 1.746 0 50 FDAA COc1ccc([C@H]2CN(C(=O)c3ccccc3-c3nnn[nH]3)C[C@@H]2N)cc1 91657279 GRRAGHCXBQMWHD-SJORKVTESA-N 364.409 1.442 0 50 FDAA N[C@H]1CC[C@@H](n2cc(C(=O)N3CCO[C@@H](c4ccccc4)C3)nn2)CC1 244811418 SCEJYFZRMMSRKH-SOLBZPMBSA-N 355.442 1.934 0 50 FDAA CCOc1ccccc1C(=O)N1CC[C@H]2[C@H](CCC(=O)N2CCNC)C1 215459048 YISXENDTIVBGEQ-WBVHZDCISA-N 359.470 1.758 0 50 FDAA COCCN1C(=O)N[C@@H]2CN(C(=O)C3(c4ccccc4C)CC3)CC[C@@H]21 299745860 SYPKVQDNANEUKX-SJORKVTESA-N 357.454 1.668 0 50 FDAA CC(C)c1ncc(C(=O)N[C@@H](Cc2ccncc2)[C@H]2C[C@@H](O)C2)c(O)n1 253535848 SYJRUADBSLLWEP-LZWOXQAQSA-N 356.426 1.813 0 50 FDAA CC[C@@H](CNC(=O)N1CCCN(c2ccccc2)CC1)N1CCN(C)CC1 534582613 OLJSWMYIDWSABN-IBGZPJMESA-N 373.545 1.934 0 50 FDAA O=C(CSCCN1CCCC1)N1CCCN(Cc2ccncc2)CC1 299770569 WMYJYMFURGYNBX-UHFFFAOYSA-N 362.543 1.945 0 50 FDAA CNC(=O)[C@H]1CCCN(c2nc(-c3ccccn3)nc3c2CCNCC3)C1 65405843 DHBAOBUMLYTGOG-AWEZNQCLSA-N 366.469 1.189 0 50 FDAA O=C(c1ccc[nH]1)N1CCN(C[C@H]2CC(=O)N(c3ccccc3)C2)CC1 299800119 VBRRTJWMMQARNV-MRXNPFEDSA-N 352.438 1.826 0 50 FDAA COc1ccc2nc(CCNC(=O)CCC(=O)Nc3nncs3)[nH]c2c1 824757835 MEVXPBBGAHSZTP-UHFFFAOYSA-N 374.426 1.501 0 50 FDAA Cc1noc(CN(C)C(=O)NCC2CCN(C3CCN(C)CC3)CC2)n1 584889591 CGEKKDXETIDPCY-UHFFFAOYSA-N 364.494 1.326 0 50 FDAA O=C(NCc1nc(-c2ccccc2Cl)no1)[C@@H]1CCCCn2nnnc21 670453885 BUVOOFQWFVKZQP-LLVKDONJSA-N 373.804 1.960 0 50 FDAA CNc1nc(C)cc(C(=O)N[C@@H]2CC23CCN(c2nccc(C)n2)CC3)n1 952893094 FPDYZKMMBZCVHS-OAHLLOKOSA-N 367.457 1.714 0 50 FDAA CNC(=O)[C@]12CCOC[C@H]1CN(C(=O)Cc1ccc(F)cc1Cl)C2 952851726 UCGVZWDTPSJZCX-PXAZEXFGSA-N 354.809 1.633 0 50 FDAA CCCOc1nc(C)ccc1C(=O)N(C)C[C@H]1OCC[C@H]1c1nc[nH]n1 952888821 NRVCVMCPAILCAB-UKRRQHHQSA-N 359.430 1.942 0 50 FDAA CCN1C(=O)CC[C@H](CN[C@@H](C)Cc2cnccn2)[C@H]1c1cnn(C)c1 952886764 AHKYDZFJCREXSE-KHYOSLBOSA-N 356.474 1.731 0 50 FDAA CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2cc(-c3ccncc3)[nH]n2)C1 1875293791 CIUOZMSHAUWOHP-OAHLLOKOSA-N 367.331 1.612 0 50 FDAA O=C(Nc1cccc(-n2nnnc2O)c1)[C@@H]1CCN(Cc2ccccc2)C1 1875298099 OFYPNUQIKIDULK-OAHLLOKOSA-N 364.409 1.829 0 50 FDAA CN1CCC[C@@]12CCN(C(=O)[C@H](c1cccc(F)c1)N1CCOCC1)C2 1875283807 CFBVGYXSDDRYJE-ICSRJNTNSA-N 361.461 1.896 0 50 FDAA Cc1nn(C)cc1C(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1ccncc1)C2 1565511495 NWEZAJHCPNLSGQ-ZBFHGGJFSA-N 353.426 1.500 0 50 FDAA Cc1cc(C(=O)NC[C@H](C)NC(=O)[C@H]2CCCC(=O)N2)ccc1Cl 1875326448 CCKWDZKOGNMNOS-SMDDNHRTSA-N 351.834 1.552 0 50 FDAA CCN=c1[nH]cc(C(=O)N2CCC[C@]23CCC[S@](=O)(=NC)C3)s1 1875395391 CFVJTSNSBYLSTE-IQMFZBJNSA-N 356.517 1.863 0 50 FDAA CC(C)CN1C[C@@H]2CN(C(=O)c3csc(-c4cn[nH]c4)n3)CCN2C1=O 1875322550 WGXVTKLSIQSJCP-ZDUSSCGKSA-N 374.470 1.751 0 50 FDAA Cc1cocc1C(=O)N[C@H]1COCC[C@H]1NC(=O)C[C@H](C)n1ccnc1 1875328122 ZKPSYVHBINRFRY-IMJJTQAJSA-N 360.414 1.439 0 50 FDAA COC(=O)c1nnn(C)c1CNc1cccc(I)c1 1875358007 FQMNRYUAZYAZFF-UHFFFAOYSA-N 372.166 1.818 0 50 FDAA Cn1cnnc1C[C@@]1(O)CCCN(C(=O)c2ccc3c(c2)CCCC3)C1 886095211 NXRFQDKVFMFPSO-FQEVSTJZSA-N 354.454 1.904 0 50 FDAA O=C(CN1C(=O)CCCc2ccccc21)N[C@@H]1C[C@@H](O)C12CCOCC2 888095015 PEBZIXMGKXLVNH-IAGOWNOFSA-N 358.438 1.402 0 50 FDAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)C1CCN(c2cnccn2)CC1 272027864 ODSDQOMRUNYLPH-OAGGEKHMSA-N 358.442 1.937 0 50 FDAA C[C@@H]1CN(C(=O)c2ccc(-c3ncn(C)n3)cc2)CC2(CCOCC2)O1 279305637 ZVSSSQOFORKAJR-CQSZACIVSA-N 356.426 1.892 0 50 FDAA CC1(c2ccccc2)CN(C(=O)C(=O)N2CC[C@@H](N3CCCC3=O)C2)C1 1328627242 PCOHDGUMGXRYJN-MRXNPFEDSA-N 355.438 1.010 0 50 FDAA NC(=O)c1ccc(NC(=O)CCN(CCO)CCc2ccccc2)cc1 112698775 LRYHUZRYVYOWPW-UHFFFAOYSA-N 355.438 1.651 0 50 FDAA Cc1cc(CN2CCN(Cc3nc4ccccc4c(=O)n3C)CC2)no1 192641711 VHPCTMISFKSQDZ-UHFFFAOYSA-N 353.426 1.548 0 50 FDAA O=C1NC[C@]2(CCCN(C3CCN(C(=O)c4cccnc4)CC3)CC2)O1 1506423180 UPHZAXMVSIOVJM-LJQANCHMSA-N 358.442 1.651 0 50 FDAA O=C(c1nc(O)nc2ccccc12)N1CCCN(C(=O)[C@H]2CCOC2)CC1 1529172814 IMQNAUXNBUIMEZ-ZDUSSCGKSA-N 370.409 1.046 0 50 FDAA CC(C)Cc1ccc(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1 1704300441 VMRDEFZUOVHJLH-DLBZAZTESA-N 368.499 1.521 0 50 FDAA Cc1ccc2ccccc2c1CN1C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C1 1615963421 DFJJVGRUSPZLHV-APWZRJJASA-N 362.495 1.832 0 50 FDAA CCN(CC)C[C@@H](O)COc1ccc(CN2CCOCC2)cc1OC 12072841 UZYWFHAEFYSJNC-QGZVFWFLSA-N 352.475 1.609 0 50 FDAA CCN(Cc1nccn1C)C(=O)c1ccc(NCc2cnn(C)c2)nc1 12207412 LOWDAMDJOWFMQT-UHFFFAOYSA-N 353.430 1.823 0 50 FDAA Cc1ccn(CCNC(=O)[C@@H]2CCC(=O)N(CCc3ccccn3)C2)n1 12320447 HTKHPTIQSHWWHM-MRXNPFEDSA-N 355.442 1.184 0 50 FDAA COC(=O)[C@H](Cc1ccccc1)NC(=O)C1(N(C)C)Cc2ccccc2C1 12714240 HPOBESWYIITTTM-IBGZPJMESA-N 366.461 1.986 0 50 FDAA CCS(=O)(=O)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 19842695 IMHGZSBIPCMJGI-UHFFFAOYSA-N 358.460 1.180 0 50 FDAA CN1CCN(C(=O)N2CCc3c(-c4ccccc4)nn(C)c3CC2)CC1 1857714336 QFZLJUZAEGGNFI-UHFFFAOYSA-N 353.470 1.855 0 50 FDAA Cc1cn2cccc(C(=O)N3CC[C@@]45OC[C@@H](C(C)C)N4C(=O)C[C@@H]35)c2n1 1857731071 JNEBMMGTYZPGQD-YRNRMSPPSA-N 368.437 1.841 0 50 FDAA c1ccc(-n2nc([C@@H]3CCOC3)nc2-c2cn3c(n2)CCNCC3)nc1 1857738128 RZOTZFOLLXVRQL-CYBMUJFWSA-N 351.414 1.175 0 50 FDAA CN1C(=O)[C@H]2COC[C@@H]1CN(C(=O)CCCc1nc3ccccc3s1)C2 1875244675 PLVNFBAVUACYPI-KGLIPLIRSA-N 373.478 1.935 0 50 FDAA O=C(Nc1nccs1)c1cccc(S(=O)(=O)N2CCC[C@H](O)C2)c1 408525028 HTGCOFNOMUGNLF-LBPRGKRZSA-N 367.452 1.541 0 50 FDAA NC(=O)[C@]1(O)CCCN(CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 499439824 FMZKEQNKNPAWJP-RCDICMHDSA-N 365.282 1.413 0 50 FDAA NC(=O)c1ccc(N2CCN(C(=O)c3cnc(NC4CC4)s3)CC2)cc1 900748436 PSNIPUKTYOYFNF-UHFFFAOYSA-N 371.466 1.779 0 50 FDAA Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CC[C@@H](O)[C@@H](C(=O)O)C1 1704337678 BGWOVQLMOLHNHR-GZMMTYOYSA-N 368.238 1.758 0 50 FDAA O=C(O)c1ccc2c(c1)N(C(=O)c1cccnc1N1CCOCC1)CC2 908064808 JTDFHEGFPPNJDE-UHFFFAOYSA-N 353.378 1.819 0 50 FDAA COC(=O)c1ccc(N2CCN(C(=O)c3ncccc3N(C)C)CC2)s1 909554558 XGOSTYBKYQTDMX-UHFFFAOYSA-N 374.466 1.958 0 50 FDAA COc1ccc(-c2nnn(CC(=O)NCCc3ccccc3)n2)cc1OC 1088409 ABJKEEHNXXRPAZ-UHFFFAOYSA-N 367.409 1.716 0 50 FDAA biogenic CN(C[C@@H](O)C(F)(F)F)C(=O)N=c1ncn(Cc2cccc(F)c2)[nH]1 2325786407 IULATPJWAITOGG-LLVKDONJSA-N 361.299 1.274 0 50 FDAA Cc1ccn2c(=O)c(C(=O)N[C@H]3c4ccccc4OC[C@H]3O)cnc2c1 2325849362 NCNVVTYFFMFSKH-PBHICJAKSA-N 351.362 1.227 0 50 FDAA COCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCCN(CC(C)C)C2)C1 2325866282 GSTWWIVREJORNX-ZACQAIPSSA-N 353.507 1.354 0 50 FDAA C=CC(=O)Nc1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2COC(C)(C)O2)cc1 2325885792 VZDNRVQBLDYBSB-CVEARBPZSA-N 360.410 1.804 0 50 FDAA N[C@H]1CC=CCOc2ccccc2C(=O)NC2(CC2)[C@H]2CCN(C2)C1=O 2325894070 SZTVQWOCTPTVSW-HOCLYGCPSA-N 355.438 1.464 0 50 FDAA COc1ccc(C(F)(F)C(=O)N[C@@H](CO)[C@@H](O)c2cccnc2)cc1 913564651 DLFRBGMEFKPNOV-GJZGRUSLSA-N 352.337 1.393 0 50 FDAA Nc1cncc(-c2ccc(C(=O)NCCN3CCCC[C@H]3CO)cc2)n1 2356136910 AZRIUUDKSMXRIP-INIZCTEOSA-N 355.442 1.302 0 50 FDAA COc1cccc([C@H](O)CNC(=O)CCS(=O)(=O)c2ccccc2)n1 2356142603 ZBWMSSNYPONRLX-OAHLLOKOSA-N 364.423 1.104 0 50 FDAA COc1ccc(OC)c(N2C[C@H](C(=O)Nc3nnc(C)s3)CC2=O)c1 8268501 UPTIJLFXFTYGKM-SNVBAGLBSA-N 362.411 1.855 0 50 FDAA O=C(CCN1CCCCO1)N1CCN(Cc2ccco2)[C@@H](CCO)C1 55183361 OPZVEMNKLGIJCT-INIZCTEOSA-N 351.447 1.092 0 50 FDAA CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](O)c2ccccc2F)c1C 225507878 SGKAOTOJOZUDLM-KRWDZBQOSA-N 373.384 1.881 0 50 FDAA Cc1ccc(Cl)cc1NC(=O)CC(=O)N1CCNC(=O)[C@H]1C(C)C 65406283 LKPTUDLJLJTPCG-MRXNPFEDSA-N 351.834 1.960 0 50 FDAA CN1CCC(N2CCC[C@@H](NC(=O)CCCN3CCCCC3=O)C2)CC1 20453179 MODZGIRXUYFTLS-QGZVFWFLSA-N 364.534 1.454 0 50 FDAA Cc1ccc(C)c(OCCNC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 67490527 FCIQCTNFJNBCFW-UHFFFAOYSA-N 353.378 1.642 0 50 FDAA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]21 252039456 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PHHFCLQQVMJXNJ-UHFFFAOYSA-N 361.409 1.428 0 50 FDAA COC[C@@H]1[C@@H](NC(=O)C2(c3ccccc3)CCN(C)CC2)[C@@H]2CCO[C@@H]21 222664570 NBGINTUWCZRXCX-RDGPPVDQSA-N 358.482 1.816 0 50 FDAA COc1cccc(C(=O)N2CCN(C(=O)[C@@H](C)CN3CCCC3)CC2)c1 82138490 XJUHWVQONLQSHP-INIZCTEOSA-N 359.470 1.712 0 50 FDAA Cc1c(C(=O)O)sc2[nH]c(=S)n(NC(=O)c3cccnc3)c(=O)c12 17074522 OKQCKNAAADFECR-UHFFFAOYSA-N 362.392 1.906 0 50 FDAA Cc1cc(C(=O)NCCN2CCC[C@@H](C(N)=O)C2)c2cccc(C)c2n1 82097704 MSEUQGCOUWYKHL-OAHLLOKOSA-N 354.454 1.779 0 50 FDAA CN1CC[C@H](N(C)CCC(=O)N(C)Cc2cccc(-n3cccn3)c2)C1 426643056 VEIBEZPGBXBROE-IBGZPJMESA-N 355.486 1.857 0 50 FDAA O=C([C@@H](O)c1ccccc1F)N1CCC(CO)(CN2CCCC2)CC1 223293976 DZVGNHRJHZKPIM-KRWDZBQOSA-N 350.434 1.556 0 50 FDAA CC(=O)NCc1cc2n(n1)CCN(C(=O)c1cccc3c1CCC3=O)C2 426562853 HKFSOUNWUJIIEW-UHFFFAOYSA-N 352.394 1.304 0 50 FDAA NC(=O)c1ccc(O[C@@H]2CCOC[C@H]2NC(=O)Cc2cccs2)cc1 220214435 SQFJQDCRPOEHMB-HZPDHXFCSA-N 360.435 1.742 0 50 FDAA CC(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3cc(N)ccn3)cc2)C1 426510541 YMLXEWJJHIMMDE-QGZVFWFLSA-N 354.410 1.308 0 50 FDAA CCCN1CCC[C@@]2(CCN(C(=O)Cn3nc(C)c(C)cc3=O)C2)C1=O 91663370 DNRRTGAIOHMOPN-IBGZPJMESA-N 360.458 1.111 0 50 FDAA CC(C)N1CCC[C@]2(CCN(C(=O)c3ccc(-n4cnnc4)nc3)C2)C1=O 91596139 YZYSPYSUKXJLSF-LJQANCHMSA-N 368.441 1.525 0 50 FDAA NC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)CCc2cc(Cl)no2)C1 95517699 AXRUWXFSQDUSFU-LLVKDONJSA-N 365.821 1.349 0 50 FDAA CCN1C[C@@H](C(=O)N2CCc3nnc(-c4ccccc4)n3CC2)CC1=O 95359001 NQZWABREFNEVFO-HNNXBMFYSA-N 353.426 1.198 0 50 FDAA CC(C)[C@@H]1CN(C(=O)c2ccc(C(=O)N3CCOCC3)cc2)C[C@H]1N(C)C 95378322 LTFJLKUWUVDGJU-RBUKOAKNSA-N 373.497 1.817 0 50 FDAA COc1cccc2c1NC(=O)C[C@@H]2C(=O)NCCCn1ccccc1=O 426674327 VXGJWZCILIPMPV-AWEZNQCLSA-N 355.394 1.489 0 50 FDAA CC(C)c1ccc(N2C[C@@H](C(=O)NCCS(C)(=O)=O)CC2=O)cc1 91518684 JOETVPHBRCUCLM-AWEZNQCLSA-N 352.456 1.324 0 50 FDAA C[C@H](Cn1cccn1)NS(=O)(=O)c1cccc(C(=O)NC2CCC2)c1 95384829 WTJHHPWTOBNPTL-CYBMUJFWSA-N 362.455 1.532 0 50 FDAA CCN1CCC[C@@H]1CN(C)C(=O)Cn1nc(-c2ccccc2)ccc1=O 176995140 VDGXXFBJLSXKHI-QGZVFWFLSA-N 354.454 1.853 0 50 FDAA COc1cccc([C@@H]2CCN(C(=O)Cn3cccc(OC)c3=O)C2)c1OC 95525140 DGCDDUQEYMRUOR-CQSZACIVSA-N 372.421 1.890 0 50 FDAA CN1CCN(Cc2cn(C)nc2-c2ccccc2)C[C@]12CCNC(=O)CC2 91269957 MBGAUVAHUMDRSV-NRFANRHFSA-N 367.497 1.873 0 50 FDAA COc1cc(CN2C[C@@H](CN3CCN(C)CC3)[C@@H](CO)C2)ccc1F 91526866 AXDQSQSPJOHTSJ-IAGOWNOFSA-N 351.466 1.122 0 50 FDAA O=C([C@H]1CCCN(CCO)C1)N1CCN(C/C=C/c2ccccc2)CC1 97773271 KOYDBOHDCBOWPR-BFSLETRISA-N 357.498 1.548 0 50 FDAA Cc1c(C2CCCCC2)noc1NC(=O)Cn1ncn2nccc2c1=O 291478039 QKJOGCIBMOKGDD-UHFFFAOYSA-N 356.386 1.874 0 50 FDAA CCc1cc(N2CCN(Cc3nc(-c4cccnc4)no3)CC2)ncn1 244794998 QXTUDGUZENVGSM-UHFFFAOYSA-N 351.414 1.806 0 50 FDAA O=C(Cc1cc(Cl)c2c(c1)OCCO2)N1CCc2nc[nH]c(=O)c2C1 179066039 HHUNDSMMCCHUQD-UHFFFAOYSA-N 361.785 1.322 0 50 FDAA CNC(=O)Cc1csc(NC(=O)CCc2nc(O)c3ccccc3n2)n1 252492471 MNHQWMIXZJKBPV-UHFFFAOYSA-N 371.422 1.652 0 50 FDAA O=C(NCc1noc([C@H]2CCCO2)n1)N1CCOc2ccc(CO)cc2C1 534589058 PIAIEYHBJHAOPE-OAHLLOKOSA-N 374.397 1.518 0 50 FDAA COC(=O)c1cn(CCNC(=O)NC2CCCCC2)cc2c(=O)[nH]nc1-2 263587660 JQXJHJVSLFJFOU-UHFFFAOYSA-N 361.402 1.095 0 50 FDAA O=C(c1cc(Br)c[nH]1)N1CCC[C@H]1Cn1cc(CO)nn1 299745671 RSXPXZODIABPEI-NSHDSACASA-N 354.208 1.166 0 50 FDAA COCCN1CC[C@H](CNC(=O)c2c(Cl)c(C(F)(F)F)nn2C)C1 299764447 TTZJRTKJYMWZGT-SECBINFHSA-N 368.787 1.790 0 50 FDAA CCc1nnc(-c2cccc(NC(=O)NCc3nncn3CCOC)c2)[nH]1 299756346 HLGPRBYZZOTSPV-UHFFFAOYSA-N 370.417 1.594 0 50 FDAA O=C(Cc1c[nH]c2ccccc12)N[C@@H]1CCN(Cc2cscn2)C[C@H]1O 299772903 ASFRTMJFNFYPQV-QZTJIDSGSA-N 370.478 1.919 0 50 FDAA CS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2)C1 299746546 YCFKSKLKFHUVKY-OCCSQVGLSA-N 372.418 1.129 0 50 FDAA Cc1nnnn1CCC(=O)Nc1cccc(NC(=O)c2cccnc2)c1 828069312 VPNMYOMZMXRQEV-UHFFFAOYSA-N 351.370 1.658 0 50 FDAA Cn1cnnc1Sc1ccc(CN2CCN(C(=O)c3ccc[nH]3)CC2)o1 825647721 KEXCYQBJGQINHA-UHFFFAOYSA-N 372.454 1.845 0 50 FDAA Cc1cc2nc(O)[nH]c2c(NC(=O)C[C@H]2C(=O)NCCN2C(C)C)c1C 952965344 RIQKRJWEDNKENQ-ZDUSSCGKSA-N 359.430 1.423 0 50 FDAA CS(=O)(=O)c1ccc(-c2cccc(C(=O)N[C@H]3CNCC[C@@H]3O)c2)cc1 1565512231 YLHDUTYWVZXBCV-ROUUACIJSA-N 374.462 1.210 0 50 FDAA O=C(c1cccc2[nH]c(=O)oc12)N1CCS(=O)(=O)C2(CCCCC2)C1 269778492 SZMNBEXBDDVORS-UHFFFAOYSA-N 364.423 1.695 0 50 FDAA Cc1nn(C)c(C)c1[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC2)C(=O)O 275156535 ZKGXJGQDDUKMCI-MRXNPFEDSA-N 363.439 1.630 0 50 FDAA Cc1cc(O)nc([C@H](C)N2CCN(c3ccc4nnc(C)n4n3)CC2)n1 192574738 QPXGIDDUBXBGIX-LBPRGKRZSA-N 354.418 1.120 0 50 FDAA Cn1ccc2c(C(=O)N3C[C@H]4COC[C@@H](C3)CN4CC(=O)O)cccc21 1704311378 HBSAMGWNDSOCMH-KGLIPLIRSA-N 357.410 1.036 0 50 FDAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccc3scnc3c1)C2 1704325897 WNPSTTWYWZLMOW-AAEUAGOBSA-N 361.423 1.154 0 50 FDAA COCC(=O)NCc1cccnc1N1CCN(c2ccccc2OC)CC1 12387742 KORMFKGREVCKTF-UHFFFAOYSA-N 370.453 1.679 0 50 FDAA COCCCNC(=O)c1sc2ncnc(NCCN(C)C)c2c1C 15067317 LRJRJLHLOURMIV-UHFFFAOYSA-N 351.476 1.740 0 50 FDAA O=C([C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 6700143 CSDVBINGGRXHNV-GOSISDBHSA-N 374.462 1.852 0 50 FDAA O=C(C1CCOCC1)N1CC[C@@]2(C1)Cn1c(nnc1-c1ccncc1)CO2 1857689194 IJTVFSYLUUXVQK-LJQANCHMSA-N 369.425 1.268 0 50 FDAA CN1CCC[C@@]2(C(N)=O)CCN(C(=O)c3ccccc3-c3ncc[nH]3)C[C@H]12 1857694535 QXZYTHFNJRQIMF-OXJNMPFZSA-N 367.453 1.489 0 50 FDAA COc1ccc(C(=O)N2CCN3C(=O)OC[C@@]3(Cc3ccccc3)C2)cn1 1857713730 LPAWIFBSIZBBCI-HXUWFJFHSA-N 367.405 1.980 0 50 FDAA CCCO[C@@H]1C[C@@H](C(=O)N2CCN(c3cccc(O)c3)CC2)CC[C@H]1N 1857741389 QHDRKGRNCZICBB-KFKAGJAMSA-N 361.486 1.963 0 50 FDAA COc1ccccc1CNC(=O)CN1CCN2[C@@H](C3CC3)COC[C@H]2C1 1875250533 JXXPUAINZYLKLT-QZTJIDSGSA-N 359.470 1.106 0 50 FDAA CC(C)n1cnnc1[C@@H]1CCCN(C(=O)CCC(=O)N2CCOCC2)C1 329513692 YAPCEAOHSGVRLH-OAHLLOKOSA-N 363.462 1.204 0 50 FDAA Cc1nc(SCC(=O)Nc2ccccc2Cl)[nH]c(=O)c1CCO 11905674 JHVCASIAAYMVJI-UHFFFAOYSA-N 353.831 1.997 0 50 FDAA CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(CN(C)C)nc1 253404830 FJAQBNXHGBESED-SWLSCSKDSA-N 350.488 1.573 0 50 FDAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1c(C)[nH]c(C(=O)O)c1C)C2 253600786 YVAQKBQHQFCHKO-OLZOCXBDSA-N 363.414 1.039 0 50 FDAA CCn1cc(C(=O)N(Cc2nccn2CC)[C@H]2CC23CCNCC3)cn1 261646828 DRMUBYKTMIOLBD-INIZCTEOSA-N 356.474 1.904 0 50 FDAA Cc1noc([C@H]2CC(=O)N(C3CN(C(=O)c4[nH]ccc4C4CC4)C3)C2)n1 864684272 WDGUSEMCLXRTNC-LBPRGKRZSA-N 355.398 1.424 0 50 FDAA Cn1cc(N2CC[C@@H](NC(=O)C[C@@H](Cc3ccccc3)C(=O)O)C2)cn1 1875290774 CIUFMJPQPSDNCH-HZPDHXFCSA-N 356.426 1.449 0 50 FDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@@H](C)C3(O)CCC3)C2)c1C 1875397841 QBBPAEWPHGRCGI-LSDHHAIUSA-N 361.490 1.267 0 50 FDAA CS(=O)(=O)c1cnc(N[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)c(Cl)c1 1875399206 RMSUAVYEQPGYKA-LERXQTSPSA-N 370.862 1.587 0 50 FDAA C=CC(=O)N1CCC(C(=O)N[C@@H]2Cc3n[nH]cc3[C@@H](C(F)(F)F)C2)CC1 1875367610 VKTAAYXUTMXMJQ-AAEUAGOBSA-N 370.375 1.911 0 50 FDAA CCn1cnc2c(N(C)C3CCC(NC(=O)CCOC)CC3)ncnc21 1875311054 LJJSZTJBIMTYQC-UHFFFAOYSA-N 360.462 1.746 0 50 FDAA Cc1nc(O)cc(-c2ccc(NC(=O)NC[C@@H]3C[C@@H](O)CN3C)cc2)n1 1875309743 LKWVDGMCJGMZQA-LSDHHAIUSA-N 357.414 1.344 0 50 FDAA C=CC(=O)N1CCC(C(=O)N[C@@H](C(=O)OC)c2cc(F)ccc2F)CC1 1875369369 KMNFRGVVWFOIHH-MRXNPFEDSA-N 366.364 1.720 0 50 FDAA C=CC(=O)N1CCC(C(=O)N2CC(=O)Nc3ccc(C(=O)OC)cc32)CC1 1875382579 HQDVQKUEKQSNAH-UHFFFAOYSA-N 371.393 1.183 0 50 FDAA NC(=O)C[C@@H]1CN(C(=O)CCCOc2ccc3c(c2)CCCC3)C[C@H]1O 1875403382 VEKKWEYMYTUURW-SJLPKXTDSA-N 360.454 1.419 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1cccc(Cn2ccnc2)c1 1875401395 XBWTYSLNWHWBNF-BHIYHBOVSA-N 365.437 1.697 0 50 FDAA Nc1ccc2c(c1)CN(C(=O)c1nc(N3CCOCC3)ncc1Cl)CC2 2325774905 DUMRZKRCBNPYJX-UHFFFAOYSA-N 373.844 1.747 0 50 FDAA C[C@@H](CNc1nccc(N2CCNCC2)n1)Cn1cc(C(F)(F)F)cn1 2325807371 UUQDXWNXDIKNPE-LBPRGKRZSA-N 369.395 1.850 0 50 FDAA Cn1ncc(CN)c1C(=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 2325857720 MQNMKUVUPBAHMN-UHFFFAOYSA-N 365.441 1.684 0 50 FDAA CC[C@@H](O)c1cn(CC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)nn1 2325869618 WCIAZMQXSPLQFY-QGZVFWFLSA-N 366.425 1.914 0 50 FDAA C=CC(=O)N(C)CC(=O)N1CCCN(C(=O)c2c[nH]c3ccccc23)CC1 2325884669 JTPBTGAURGVJQL-UHFFFAOYSA-N 368.437 1.487 0 50 FDAA C=CC(=O)NCC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 2325888533 BDRYCLWIFUKNKO-CYBMUJFWSA-N 353.216 1.651 0 50 FDAA Cc1ccccc1N1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1 862796 PRCMOMGXDGKGTK-UHFFFAOYSA-N 363.417 1.940 0 50 FDAA C[C@H]1CN(C(=O)c2cc3c(s2)CCOC32CCNCC2)C[C@@H](CO)O1 2356142836 KATJRHOBZZBBBE-STQMWFEESA-N 366.483 1.121 0 50 FDAA O=C(CCn1c(CO)nc2ccccc21)NCc1cccc2ncnn12 2356147115 IPRDZEMCNWQXKX-UHFFFAOYSA-N 350.382 1.278 0 50 FDAA Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCCCC1 3229837 XIJIZSZNEVZRAA-UHFFFAOYSA-N 352.456 1.642 0 50 FDAA CO[C@]1(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)CCOC1 221837355 OTLRXNGAHJEHDA-LESCRADOSA-N 366.845 1.781 0 50 FDAA Cc1nc2c(c(NCCn3ncc4ccccc4c3=O)n1)CCNCC2 65468728 JUNFFIHJDNRRDY-UHFFFAOYSA-N 350.426 1.295 0 50 FDAA CCn1c(CC2CCN(C(=O)[C@H]3CC(C(C)C)=NO3)CC2)nn(C)c1=O 67640941 AZEIOLYMWQLQCA-OAHLLOKOSA-N 363.462 1.184 0 50 FDAA C[C@H](C(=O)N1CCCn2nc(C(=O)N3CCCC3)cc2C1)n1cccc1 65407071 HGGFVRVIQSXDER-OAHLLOKOSA-N 355.442 1.914 0 50 FDAA O=C(COc1ccccc1)N1CCN(c2cc(-n3cccn3)ncn2)CC1 67602060 JHAIEGIXPCAWPU-UHFFFAOYSA-N 364.409 1.390 0 50 FDAA CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C 246532908 SCSUSMZEZLULMV-WCXIOVBPSA-N 350.507 1.950 0 50 FDAA CCOc1ccc(CN2CCN(c3ncc(C)c(N)n3)C[C@@H]2CCO)cc1 72458884 WMWRJFQXVSNINL-KRWDZBQOSA-N 371.485 1.839 0 50 FDAA O=C(NCCCN1CCOCC1)c1cc(-c2ccc3c(c2)OCO3)on1 20137549 XCPRZXDLDIPCOK-UHFFFAOYSA-N 359.382 1.522 0 50 FDAA CC(=O)Nc1ncc(C(=O)NCc2cccnc2N2CCN(C)CC2)s1 67689064 LPMZOMAXEROXCC-UHFFFAOYSA-N 374.470 1.178 0 50 FDAA NC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2384760 YUGBZNJSGOBFOV-INIZCTEOSA-N 354.362 1.854 0 50 FDAA biogenic CCn1ncc(NC(=O)c2c(Br)c(C)nn2C)c1C(N)=O 2780429 UYSAXHBQQMOXGP-UHFFFAOYSA-N 355.196 1.059 0 50 FDAA CCc1ccccc1CNC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 170610316 NEFQYANWVWWZCE-LJQANCHMSA-N 373.453 1.481 0 50 FDAA O=C(CNC[C@H]1CCCO1)N(Cc1nccs1)[C@@H]1CC12CCNCC2 435570633 OMQIWXGUUXZZFZ-HUUCEWRRSA-N 364.515 1.382 0 50 FDAA O=C1NCCCC[C@H]1Nc1ncnc2c1CCN(Cc1ccco1)CC2 72428263 UOABOWMMKOAJPU-QGZVFWFLSA-N 355.442 1.751 0 50 FDAA CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)c1ccc(C(N)=O)o1 328627542 MWHDERZUUCCQIP-SECBINFHSA-N 370.331 1.928 0 50 FDAA C[C@H](CC(=O)N1CCC[C@@H](S(C)(=O)=O)CC1)NC(=O)c1ccccc1 253398223 ANMIFRBHNGPFOW-GDBMZVCRSA-N 366.483 1.621 0 50 FDAA CN(CCO)Cc1nnc(C2CCN(C(=O)Cc3ccccc3)CC2)n1C 77470221 QCFMSVZNJGGDSX-UHFFFAOYSA-N 371.485 1.188 0 50 FDAA CCCn1nccc1C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1 77490027 ZEYCCCCNKZSXGG-UHFFFAOYSA-N 358.446 1.033 0 50 FDAA Cc1nc([C@@H]2CCCN(C(=O)c3c[nH]c(=O)cn3)C2)cc(N2CCCC2)n1 72436758 JMBIYMOBOYQCCE-CQSZACIVSA-N 368.441 1.488 0 50 FDAA CNC(=O)c1cccc(NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2F)c1 363728888 JUUPORFKSUKVDW-INIZCTEOSA-N 370.384 1.890 0 50 FDAA COCCCN1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 71765470 ONSTUPHSCBGRJK-SFHVURJKSA-N 374.529 1.911 0 50 FDAA Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccccc23)C1 77407744 FWHDGCZQLJRAJQ-ZDUSSCGKSA-N 364.405 1.997 0 50 FDAA O=C(NCCc1csc(-c2cccnc2)n1)[C@@H]1NCCc2[nH]cnc21 72438556 GQXCRKHCZMDERZ-OAHLLOKOSA-N 354.439 1.474 0 50 FDAA Cc1c(-c2cc(C(=O)N(C)CC(=O)c3ccc(O)cc3)n[nH]2)cnn1C 71774491 BRLNLWRWBDMDRB-UHFFFAOYSA-N 353.382 1.779 0 50 FDAA CCc1cc(N2CCOC[C@@H]2c2ncnn2C)nc(-c2ccccn2)n1 241439829 NMNPYKSMUXMCBT-OAHLLOKOSA-N 351.414 1.807 0 50 FDAA CC(C)CCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2ncc[nH]2)[C@@H]3C1=O 77471737 SUHTUDOKZKRSEA-AMVTXUCVSA-N 358.442 1.196 0 50 FDAA Cc1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)c(C)s1 241588315 PBWLSDBCGIPABB-MRXNPFEDSA-N 373.478 1.960 0 50 FDAA Cc1nnnn1CC(=O)N1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 71614742 UDWNKHDGAXGGSP-SFHVURJKSA-N 374.464 1.880 0 50 FDAA O=C(Cn1ncc2ccccc21)N[C@@H]1COCC[C@@H]1OCc1cscn1 223933094 SWJMRIKBPMKWHC-WBVHZDCISA-N 372.450 1.983 0 50 FDAA CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1Cc1ccccc1 131954872 YBAUBMBVSZURHY-SJORKVTESA-N 365.499 1.191 0 50 FDAA CN1C(=O)CC[C@@H](NC(=O)c2ccc3[nH]cnc3c2)[C@@H]1c1ccnn1C 285070044 CMWXFIUXPHLJPU-CXAGYDPISA-N 352.398 1.388 0 50 FDAA COc1cccc(N2CCN(c3cc([C@H]4CCOC4)nc(N)n3)CC2=O)c1 426531578 JTLIATWRYYGAMM-ZDUSSCGKSA-N 369.425 1.425 0 50 FDAA COc1cncc(-c2ccc(C(=O)NCCS(=O)(=O)N(C)C)cc2)c1 426434795 CKELMHDRZJHMAL-UHFFFAOYSA-N 363.439 1.378 0 50 FDAA COc1ccc2[nH]c(C(=O)N3CCC4(CC3)NC(=N)NC4=O)c(C)c2c1 426589863 YVLFFNWMNRQGRM-UHFFFAOYSA-N 355.398 1.114 0 50 FDAA Cc1noc(C)c1CC(=O)N[C@@H]1CCN(Cc2cscn2)C[C@H]1O 426674353 XEKDQDXQDRVJOB-HUUCEWRRSA-N 350.444 1.042 0 50 FDAA CNc1cc(C)nc(N2CCC[C@H](c3nnc(Cn4cccn4)n3C)C2)n1 91645190 FUZPWTJWRSPJQA-AWEZNQCLSA-N 367.461 1.584 0 50 FDAA Cc1ccc2cccc(OCCNC(=O)[C@H]3CCCN(C(N)=O)C3)c2n1 91645063 UXBKBWVPPRCRFU-HNNXBMFYSA-N 356.426 1.829 0 50 FDAA O=C1COc2ccc(S(=O)(=O)NC[C@@H]3COc4ccccc4C3)cc2N1 91587315 UNIFRURTXKIWGZ-GFCCVEGCSA-N 374.418 1.547 0 50 FDAA CCC[C@@H]1CN(C(=O)Cc2ccc(-n3nnnc3C)cc2)C[C@H]1C(=O)O 97711664 SAVLUIMMLZOGEE-GDBMZVCRSA-N 357.414 1.473 0 50 FDAA Cc1ccccc1CNC(=O)CSc1nnc([C@H]2CCCNC2)n1C 426475316 BRVRBJSHIHOLJX-HNNXBMFYSA-N 359.499 1.999 0 50 FDAA CSCc1noc(CNC(=O)CCc2nc3ccccc3[nH]c2=O)n1 91364657 AWKYEPOQVVTLSZ-UHFFFAOYSA-N 359.411 1.418 0 50 FDAA Cn1nnc2cc(NC(=O)NCc3csc(N4CCOCC4)n3)ccc21 97759419 OHGDEGNEROKXEU-UHFFFAOYSA-N 373.442 1.583 0 50 FDAA COc1ccc2c(c1)[C@@H](C(=O)N1CCC3(CC1)COC(=O)O3)CC(=O)N2 91551603 KDKPLMYNCKSMLA-ZDUSSCGKSA-N 360.366 1.649 0 50 FDAA CN(C)C[C@H]1C[C@H](CO)CN(C(=O)c2csc(-c3ccncc3)n2)C1 91320825 NRQSJLGXCNFJCJ-KGLIPLIRSA-N 360.483 1.837 0 50 FDAA Cn1c(C(=O)NCCCc2nc3ccccc3s2)cc(=O)n(C)c1=O 95520962 FLCYHGPWWPAVMP-UHFFFAOYSA-N 358.423 1.056 0 50 FDAA C[C@H]1CN(C[C@@H]2CN(C(=O)c3cc(C4CC4)no3)C[C@@H]2CO)C[C@@H](C)O1 91643659 ZOBCBWRTDJRYRW-OCVGTWLNSA-N 363.458 1.342 0 50 FDAA CCn1c(Cn2ccnc2C)nnc1C1CCN(C(=O)c2cc[nH]n2)CC1 91755354 SCFFMHFZWLPJGV-UHFFFAOYSA-N 368.445 1.594 0 50 FDAA NC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 95519380 BGMDHSZOJZPZIY-AWEZNQCLSA-N 351.410 1.870 0 50 FDAA COCCn1ccnc1[C@@H]1CCCN(C(=O)CSc2nc(C)n[nH]2)C1 91585800 NLXTYWCTZXJIHW-CYBMUJFWSA-N 364.475 1.454 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](N)CN1c1cc(C(F)(F)F)nc(N2CCCC2)n1 91966510 DPHXDFATCWASHD-QWRGUYRKSA-N 372.395 1.138 0 50 FDAA CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4C[C@H]2C[C@@H]43)cc1 245230624 VJRRGVUYOXJSEL-VJOHVRBBSA-N 357.362 1.569 0 50 FDAA O=C(CCCOCc1ccccc1)N1CC[C@H]2[C@H](C1)OCc1cnnn12 299769155 KFDHMFJCLRGASP-ROUUACIJSA-N 356.426 1.947 0 50 FDAA CCn1ncc(CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1C 54972830 DWYPCWWJMKLYIX-UHFFFAOYSA-N 356.426 1.898 0 50 FDAA COc1ccc(Br)cc1CCC(=O)N1CCO[C@H](C(=O)O)C1 299748989 ITZOMMBNNWSLFB-ZDUSSCGKSA-N 372.215 1.702 0 50 FDAA CN1C[C@@]2(CCCN(C(=O)Nc3ccc4c(c3)OCC(=O)N4)C2)OC1=O 299786084 PBYMSTNITVDFCV-QGZVFWFLSA-N 360.370 1.466 0 50 FDAA CC(C)(C)N1C[C@H](C(=O)N2CCN(c3ccc4nccn4n3)CC2)CC1=O 299779944 AWTAQXVYXUMCEH-CQSZACIVSA-N 370.457 1.025 0 50 FDAA O=C(CN1CCc2nnc(Cc3ccccc3)n2CC1)N1CCCCC1 299767448 LGEYULTWTDQETL-UHFFFAOYSA-N 353.470 1.740 0 50 FDAA CCn1ncnc1C[C@@H]1COc2ccc(C(=O)N3CCOCC3)cc2N1C 670446503 AVBYFAAXKXIMSB-OAHLLOKOSA-N 371.441 1.210 0 50 FDAA O=C(O)CCN(Cc1ccc(F)c(F)c1)C(=O)CN1CSCC1=O 268884365 CUQAPUHWDVGHIS-UHFFFAOYSA-N 358.366 1.301 0 50 FDAA O=C(O)[C@@H]1COCCN1C(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 268978400 LKXITDDOSKTQHZ-GWCFXTLKSA-N 352.774 1.005 0 50 FDAA Cc1ccc(CN2C[C@@H](C(=O)NCc3nc(C(=O)O)cs3)CC2=O)cc1 268912527 ZVYRULPUSKJDQX-ZDUSSCGKSA-N 373.434 1.815 0 50 FDAA CO[C@H]1Cc2ccc(NC(=O)N3CCC(n4cnnc4O)CC3)cc2C1 794280086 AGTVWUBNJWRGQS-INIZCTEOSA-N 357.414 1.966 0 50 FDAA COc1ccc2c(c1)OC[C@@]1(C(=O)O)CN(Cc3cccnc3N)C[C@@H]21 1614987098 RMDVTJHYIBIUNS-KXBFYZLASA-N 355.394 1.735 0 50 FDAA Cc1ccc(Cl)cc1C(=O)N1CCCN(C(=O)c2n[nH]c(O)n2)CC1 1529146422 OLWZTRPCQFRCHJ-UHFFFAOYSA-N 363.805 1.460 0 50 FDAA CO[C@H]1CN(CC(=O)Nc2ccc(C(N)=O)cc2)C[C@H]1Cc1cc(C)no1 1704341977 AKIIJKWECLPPDA-PBHICJAKSA-N 372.425 1.210 0 50 FDAA CN(C)Cc1nc(C(=O)N2CCC[C@@]3(CCc4cnc(N)nc43)C2)cs1 1704338592 WBLMQICVNVDEAN-GOSISDBHSA-N 372.498 1.697 0 50 FDAA O=C1CCN(c2ccccc2C(=O)NCc2[nH]nc3ncccc23)C(=O)N1 1772808711 ZEHHHHZSRHWKDB-UHFFFAOYSA-N 364.365 1.334 0 50 FDAA CS(=O)(=O)N1CCC(Oc2cccc(C(=O)N3CCCCO3)c2)CC1 12300682 KZLLJGVWEDGROR-UHFFFAOYSA-N 368.455 1.657 0 50 FDAA CN(C)S(=O)(=O)NC[C@H]1CCCN(Cc2nc3ccccc3n2C)C1 12305227 JCDQLQZXDRUGBU-CQSZACIVSA-N 365.503 1.181 0 50 FDAA CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@H](NCCOC)CC2 14748363 JOAZUQCXRKGPIV-MRXNPFEDSA-N 356.470 1.579 0 50 FDAA CN(C(=O)c1ccc(=O)n(C)n1)[C@@H]1CCCN(Cc2ccccc2F)C1 14980194 WSXWIUQBHOTWDM-OAHLLOKOSA-N 358.417 1.656 0 50 FDAA O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NC[C@@H]1CCCO1 16651171 QKGWTONFSCJAPH-INIZCTEOSA-N 366.483 1.699 0 50 FDAA Cc1nn(CCO)c(C)c1-n1ccnc1-c1ccc(S(C)(=O)=O)cc1 1857703319 YXMUVUGGGLENQR-UHFFFAOYSA-N 360.439 1.748 0 50 FDAA Cc1nnc(N2C[C@@H](C(=O)NCc3sc(C)nc3C)CC2=O)s1 1857721239 GJBZBWNZIDSQSB-JTQLQIEISA-N 351.457 1.589 0 50 FDAA CC[C@@H]1CN(S(=O)(=O)c2cnn(C(C)C)c2)C[C@H]1N1CCOCC1 330289248 BWVZUTDHJYZNMJ-GDBMZVCRSA-N 356.492 1.195 0 50 FDAA 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359.392 1.641 0 50 FDAA CC[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)C[C@H]1O 1875317269 STUOLQSPVUWNBL-YEUHBGEBSA-N 364.486 1.316 0 50 FDAA Cn1c(N2CC[C@@H](N[C@H]3CCCc4ccccc43)C2)cc(=O)n(C)c1=O 1875397556 DOIHTNFGXDJGNQ-WBVHZDCISA-N 354.454 1.330 0 50 FDAA Nc1ccnc(C(=O)NS(=O)(=O)c2ccccc2Br)c1 1875340178 PCHCBKPDHWNEMJ-UHFFFAOYSA-N 356.201 1.545 0 50 FDAA CC[C@]1(C)C[C@H]1C(=O)N1CCC[C@]12CCN(C(=O)Cc1cn(C)nn1)C2 1875408237 RGEYRMVUGWQSKK-KFKAGJAMSA-N 359.474 1.387 0 50 FDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2cncc(N3CCOCC3)c2)C1 888077527 GWZPOYLLIQHOOK-HZPDHXFCSA-N 357.414 1.244 0 50 FDAA COc1cc(/C=C2/OC(=O)c3c2cc(C)[nH]c3=O)ccc1OCC(N)=O 6668718 ZCEWYEIMKJCEMK-AWNIVKPZSA-N 356.334 1.225 0 50 FDAA O=C(N=c1nc2ccccn2[nH]1)NC[C@@H](c1cccc(O)c1)N1CCCC1 2325735671 LJVUYSNNPVKWBP-INIZCTEOSA-N 366.425 1.815 0 50 FDAA Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)N=c2cc(C(F)F)n(C)[nH]2)C1 2325763900 BEYJIASDRUCHLI-MFKMUULPSA-N 368.388 1.491 0 50 FDAA 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FDAA O=C(NC[C@H]1OCCc2ccccc21)c1cc(CN2CCC(O)CC2)on1 67817468 QSXCNLNPNLTCGO-LJQANCHMSA-N 371.437 1.675 0 50 FDAA COc1ccc(C(=O)Nc2ccnn2C2CCN(CC(N)=O)CC2)cc1 67674632 HIYXMSDETFGIRX-UHFFFAOYSA-N 357.414 1.266 0 50 FDAA COCCN(C(C)=O)c1nc(CN2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)cs1 249626533 UDUWNKFRHPSQCI-BHQQPIICSA-N 351.472 1.344 0 50 FDAA Cc1ccc(CN2CCN(CC(=O)Nc3ccccc3C(N)=O)CC2)cc1 20367254 OJQIUWYNQCJZMA-UHFFFAOYSA-N 366.465 1.850 0 50 FDAA CCn1c([C@@H]2CCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)nn(C)c1=O 67674038 RMUXDDULRHLBTO-CQSZACIVSA-N 372.425 1.279 0 50 FDAA C[C@@H]1CN(Cc2cnc(NS(=O)(=O)c3ccccc3)nc2)CCN1C 67515110 YSRSBUDHOIBJRC-CQSZACIVSA-N 361.471 1.413 0 50 FDAA CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1 20220093 OGSSNTNVNTZCCS-HNNXBMFYSA-N 371.890 1.267 0 50 FDAA O=C1CNC(=O)N1Cc1nc(CCc2ccccc2)nn1-c1ccccn1 65455659 PWQQKAVCOOQROH-UHFFFAOYSA-N 362.393 1.499 0 50 FDAA COc1ccc(C(=O)N2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)cc1F 284539568 KNOVJVLUPYQLPV-XJKSGUPXSA-N 350.390 1.577 0 50 FDAA COC(=O)c1cccc([C@H]2CC(=O)Nc3cc4oc(=O)n(C)c4cc32)n1 65530493 XOBIFLYFJIKKJD-JTQLQIEISA-N 353.334 1.787 0 50 FDAA CC(C)NC(=O)[C@@H]1C[C@H](N)CN1C(=O)Cc1csc(-c2ccccc2)n1 67473181 QRZSOHUSVVJLPX-HOCLYGCPSA-N 372.494 1.805 0 50 FDAA CN1C(=O)CC[C@H](C(=O)N[C@H]2CCCS(=O)(=O)C2)[C@H]1c1ccccc1 332866888 CVUCCXBGROZZLJ-YQQAZPJKSA-N 364.467 1.290 0 50 FDAA CCO[C@@H]1C[C@@H](NC(=O)N2CCOC3(CCOCC3)C2)[C@]12CCCO2 332900141 NCMBUWIERSYZBZ-IIDMSEBBSA-N 354.447 1.304 0 50 FDAA O=C(NCCc1ccccc1)[C@H]1CCCN(C2CCN(CCCO)CC2)C1 71404003 PFFDESSSLGISCH-FQEVSTJZSA-N 373.541 1.904 0 50 FDAA CCc1ccccc1CN1CCN(Cc2ncc[nH]2)[C@H]2CS(=O)(=O)C[C@H]21 72427790 AHJFBUXQQVIOGZ-MSOLQXFVSA-N 374.510 1.456 0 50 FDAA COc1ccc(CN2CCN(C(=O)[C@@H]3CC34CCNCC4)CC2)cc1F 237527932 GSMIOKDWOKKENF-INIZCTEOSA-N 361.461 1.868 0 50 FDAA Cc1cc(F)ccc1NC(=O)CNS(=O)(=O)NCc1ccccc1 72167011 CIYMANGKLXOTAK-UHFFFAOYSA-N 351.403 1.697 0 50 FDAA C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 253428787 LCIQKJFQDXXGHJ-FDRIWYBQSA-N 350.440 1.444 0 50 FDAA O=C([C@@H]1CCCCN1)N1CCC(Oc2ccc(F)cc2)(C(=O)O)CC1 72427176 AKMDVHDDQZKLOQ-HNNXBMFYSA-N 350.390 1.792 0 50 FDAA CN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1cc(=O)[nH]c(O)n1 77488864 QFTXJEUTTRTQHM-UHFFFAOYSA-N 356.426 1.460 0 50 FDAA C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1cccc(CO)c1)C2=O 363447075 AUCWTXBAKFBFJL-DBWKPXFBSA-N 359.426 1.864 0 50 FDAA COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](C(=O)O)N(C)C3)c(OC)n1 72151793 UKRQHVKUAAIXSL-ZDUSSCGKSA-N 363.414 1.110 0 50 FDAA c1cnc(OC2CCN(c3nccc(N[C@@H]4CCCOC4)n3)CC2)cn1 365975332 LDRBGFRVXUNCHO-CQSZACIVSA-N 356.430 1.905 0 50 FDAA C[C@@H]1NC(=O)N(CCN[C@H](CCO)c2cccc(C(F)(F)F)c2)C1=O 459528787 ZTRFMTMMHVOLLA-GXFFZTMASA-N 359.348 1.659 0 50 FDAA NC(=O)c1ccc(CN2Cc3cnn(Cc4ccc(F)cc4)c3C2)[nH]c1=O 77427318 ONHDUEWQIDITMW-UHFFFAOYSA-N 367.384 1.374 0 50 FDAA O=C(CCc1ccncc1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCCCO)C1 72473076 NMDVAZSNDOZJAU-ZWKOTPCHSA-N 359.470 1.626 0 50 FDAA COc1ccc(-n2ccnc2CN2CCN(Cc3noc(C)n3)CC2)cc1 216403634 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FDAA CN1CCc2ccc(C(=O)NCc3csc(-c4cnccn4)n3)nc21 2356149674 POLMNYOWOZWPOA-UHFFFAOYSA-N 352.423 1.917 0 50 FDAA O=S(=O)(c1ccc(Br)cc1)N1CCC2(CC1)OCCO2 2889991 FCQMOCFTFSHYNU-UHFFFAOYSA-N 362.245 1.977 0 50 FDAA CN(C(=O)Cc1ccc(NC(=O)C2CC2)cc1)[C@@H]1C[C@@H]2CNC(=O)C[C@@H]2C1 2356166075 NOCYXMNLUBVFAC-JZXOWHBKSA-N 369.465 1.951 0 50 FDAA CC(=O)Nc1ccc(Cl)c(C(=O)NCCN2CCC[C@H](C(N)=O)C2)c1 55413905 IOOZYLDLHPPANC-LBPRGKRZSA-N 366.849 1.226 0 50 FDAA COc1ccc(C(=O)N2CCN(Cc3nc(CC4CC4)no3)CC2)cc1 55369577 GXBLGMQIPVHCKI-UHFFFAOYSA-N 356.426 1.989 0 50 FDAA COCCn1cnnc1[C@@H](C)NC(=O)CCNC(=O)c1ccccc1F 55254772 MUIDROAFAJZBBF-GFCCVEGCSA-N 363.393 1.061 0 50 FDAA CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)COc2ccccc2)CC1 55732336 LOSTYOTZXXXCJS-CQSZACIVSA-N 354.472 1.632 0 50 FDAA CCN(CC)Cc1cc(C(=O)N2CCC3(CC2)NCCNC3=O)c(C)o1 67821987 ACRCXKYIWISVKO-UHFFFAOYSA-N 362.474 1.124 0 50 FDAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Cn1nnc2ccccc2c1=O 134228799 FXYFCGDPNXIJTC-OAHLLOKOSA-N 352.398 1.495 0 50 FDAA Cn1c(CN2CCOCC2)nnc1[C@H]1CCCN(C(=O)c2ccncc2)C1 72424847 WDMYYFGHJPZCGR-INIZCTEOSA-N 370.457 1.062 0 50 FDAA Cn1cc(Br)cc(Nc2ccc(N3CCNCC3)cn2)c1=O 116054578 DBVDTDKSUZISME-UHFFFAOYSA-N 364.247 1.696 0 50 FDAA CC(C)C[C@@H](O)C(=O)N1CCn2nc(C(=O)Nc3ccccc3)cc2C1 65370830 GIONNUPQLGXIGS-QGZVFWFLSA-N 356.426 1.885 0 50 FDAA Cn1ccnc1[C@@H](O)C1CCN(Cc2cnn(-c3ccccc3)n2)CC1 136230466 LAKPTEWFSKZNQF-SFHVURJKSA-N 352.442 1.946 0 50 FDAA CN(Cc1ccccc1)c1ncccc1CNC(=O)[C@@H]1CCCN1C(N)=O 67739412 OBHWPUSZKSSXFF-KRWDZBQOSA-N 367.453 1.877 0 50 FDAA COC(=O)c1n[nH]c2c1[C@H](c1cc3c(cc1OC)OCCO3)CC(=O)N2 65431158 LNGGVOCIBPWJHV-VIFPVBQESA-N 359.338 1.450 0 50 FDAA CCS(=O)(=O)C[C@H](C)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 170591723 DERXHPSQUSSFHI-YOEHRIQHSA-N 368.499 1.508 0 50 FDAA COCCc1noc([C@@H]2CCCN(C(=O)Cc3csc(C)n3)C2)n1 77470992 XJWBPRBRUXTLPW-GFCCVEGCSA-N 350.444 1.972 0 50 FDAA CC(=O)Nc1cc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C(=O)O)ccc1F 424370690 UDBDNTPXVVCLAW-YMTOWFKASA-N 358.391 1.658 0 50 FDAA CCNc1nc(C)cc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 67621433 RVLJNGUOJFXUSN-UHFFFAOYSA-N 369.425 1.908 0 50 FDAA C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)C(=O)[C@H]1CCCO1 330174816 IMZYXINNJRYLJR-XJKSGUPXSA-N 352.456 1.925 0 50 FDAA Cc1cnc(CN2C[C@@]3(CCCN(CC(=O)N(C)C)C3)CCC2=O)cn1 77322870 JXVUQIHAYXDFBH-IBGZPJMESA-N 359.474 1.078 0 50 FDAA O=C(N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O)c1cn2ccsc2n1 72141799 ZQAAURBXKVQXNC-CVEARBPZSA-N 368.462 1.863 0 50 FDAA CC(=O)c1c(C)nn(CCC(=O)N2CCc3nc[nH]c3[C@@H]2C(=O)O)c1C 72468413 JHQKAWSMFRVVEQ-MRXNPFEDSA-N 359.386 1.026 0 50 FDAA CCn1nccc1[C@@H]1OCC[C@H]1CN[C@@H](C)CC(=O)N1CCOCC1 328623616 BZALDQCTNXDXNE-RLFYNMQTSA-N 350.463 1.208 0 50 FDAA CCN(Cc1noc(C)n1)[C@H]1CCCN(C(=O)c2cc(OC)no2)CC1 328629230 IAALOCNRVBOFET-ZDUSSCGKSA-N 363.418 1.891 0 50 FDAA Cn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)c2ccc(F)c(Cl)c2)cn1 328630205 POTVTLMYHVEUMY-AWEZNQCLSA-N 371.821 1.825 0 50 FDAA COc1ccc(CN2CCCN(S(=O)(=O)N3CCCC3)CC2)cc1 78722683 FHTUONWOIWTUPV-UHFFFAOYSA-N 353.488 1.544 0 50 FDAA O=C(Nc1cnn(-c2ncccn2)c1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 151839834 YWMMHXCWBBRCKO-OAHLLOKOSA-N 362.393 1.650 0 50 FDAA Cn1c(CN2CCC(O)CC2)nnc1C1CCN(C(=O)C2CCC2)CC1 77323786 RQBDQGYMRJQQEP-UHFFFAOYSA-N 361.490 1.278 0 50 FDAA Cc1ccccc1OC1(C(=O)O)CCN(C(=O)c2ccc(O)nn2)CC1 72407663 DKXQYBVFMVDANO-UHFFFAOYSA-N 357.366 1.629 0 50 FDAA Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c(C)c1 38771360 PUXMCCGGVJZPOK-JKSUJKDBSA-N 367.515 1.999 0 50 FDAA CCC(CC)N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCCN(C)CC2)[C@@H]3C1=O 77540834 QNIISZIIRGJVBZ-XLSPSMHOSA-N 361.486 1.121 0 50 FDAA CCOC[C@H]1CCN(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)C1 131816324 OYBWQXNLJRLMQJ-NWDGAFQWSA-N 351.369 1.608 0 50 FDAA Cc1ncsc1CCNC(=O)N1CCS(=O)(=O)C[C@@H]1C1CCC1 333894756 HSIKVNWFIOBZGN-CYBMUJFWSA-N 357.501 1.603 0 50 FDAA O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCc1cnc2n1CCCC2 375306042 YRQXYNABOAMUAV-UHFFFAOYSA-N 359.430 1.090 0 50 FDAA CCN(CC)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(OC)c1OC 72155911 LTYAAPIOGISMMQ-HNNXBMFYSA-N 363.458 1.263 0 50 FDAA 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Cc1cnc(C)c(N2CCN(C(=O)c3cnc(N(C)C)nc3C)CC2)n1 95391401 PUVBMTPDVCWFGY-UHFFFAOYSA-N 355.446 1.220 0 50 FDAA O=C(c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O)N1C[C@@H]2C[C@H]1CN2 91326649 AEWAAPHFGBOALX-JCBMKPRTSA-N 354.454 1.424 0 50 FDAA NC(=O)CN1CC2(CCC1=O)CCN(Cc1ccc3c(c1)OCO3)CC2 91391215 MXMVQBHNFWUWJC-UHFFFAOYSA-N 359.426 1.105 0 50 FDAA NC(=O)[C@H]1CCCN(CCNC(=O)Nc2cccc(-c3cnco3)c2)C1 95523828 WMUIKXQROLGFHE-AWEZNQCLSA-N 357.414 1.660 0 50 FDAA O=c1cc(CNCCS(=O)(=O)N2CCCC2)[nH]c2ccc(F)cc12 95354413 CZCPAZJYIGIMBO-UHFFFAOYSA-N 353.419 1.182 0 50 FDAA CCn1nc(C)cc1S(=O)(=O)N1CC[C@H](Cc2cccc(CO)c2)C1 91998038 IKTOKTQEAGMGEK-MRXNPFEDSA-N 363.483 1.957 0 50 FDAA Cc1cc(CNS(=O)(=O)c2cccc(C(=O)NCC(C)C)c2)n(C)n1 95385560 LZWITKKTHWFCID-UHFFFAOYSA-N 364.471 1.593 0 50 FDAA CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C(=O)O)C(C)C)CC1 248099519 ZVDLSJPOZVWMBQ-UVPYHEFZSA-N 369.506 1.508 0 50 FDAA biogenic CNC(=O)c1[nH]nc2c1CN(CC(=O)Nc1ccc(Cl)cc1F)CC2 244874661 XFGMIMIVCHOVMO-UHFFFAOYSA-N 365.796 1.559 0 50 FDAA COc1ccc2c(c1)C=C(CN1CCc3nc(C(N)=O)cn3CC1)CO2 1940194935 DJDQBKBGIRAARJ-UHFFFAOYSA-N 354.410 1.325 0 50 FDAA COc1cccc(C(=O)NCc2ncc(Cl)cn2)c1OCCCN 299777477 JYVWKKYOUXNDBO-UHFFFAOYSA-N 350.806 1.796 0 50 FDAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)c1ccc(N3CCCC3=O)cc1)CC2 299779806 GUWDRLRVUCEIFV-FUHIMQAGSA-N 358.438 1.958 0 50 FDAA CNC(=O)C[C@H]1c2c(c(Br)c3c(c2OC)OCO3)CCN1C 823819876 OBAKWOQEFKIBDM-VIFPVBQESA-N 371.231 1.852 0 50 FDAA biogenic Cn1ccnc1CN1CCN(Cc2ccc(Sc3nncn3C)o2)CC1 670472090 ZJWLOKITHNZRHR-UHFFFAOYSA-N 373.486 1.611 0 50 FDAA Cc1c(C(=O)N2CCC(CNC(=O)[C@H]3CCOC3)CC2)cnc2ccnn12 952966600 KLTCQCCAADEMKC-HNNXBMFYSA-N 371.441 1.043 0 50 FDAA CC[C@@H](C)Cc1nc(-c2cnc3nc(C)[nH]n3c2=O)n(CC(C)(C)O)n1 952874125 WVBLGWCUTGOHOC-SNVBAGLBSA-N 359.434 1.344 0 50 FDAA Cc1ccc(S(=O)(=O)N2CCC[C@](CO)(CN(C)C)C2)cc1Cl 952871932 HIJDCAOJOMKAIO-INIZCTEOSA-N 360.907 1.973 0 50 FDAA CN(C)c1cccc(C(=O)N[C@H]2CCN(Cc3cscn3)C[C@@H]2O)c1 1565525674 SRLNJLZQIZQRDL-IRXDYDNUSA-N 360.483 1.574 0 50 FDAA Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3cc(C)on3)[C@@H](O)C2)c(O)c1 1565515140 HAYODHLXVBGYIO-BBRMVZONSA-N 359.382 1.002 0 50 FDAA COc1cc(C(=O)O)c(F)cc1NS(=O)(=O)c1c(C)nn(C)c1C 274752885 OQZUFKQXIJWTOA-UHFFFAOYSA-N 357.363 1.684 0 50 FDAA Cc1nc(CN2CCCN(C(=O)[C@H](C)NC(=O)CC(C)(C)C)CC2)no1 189406537 MZABRAUYELQRCF-ZDUSSCGKSA-N 365.478 1.353 0 50 FDAA O[C@H]1CN(Cc2cnc(N3CCCCC3)nc2)C[C@@H]1Cc1ccncc1 1616072674 AXYGALZKAFMKPM-OALUTQOASA-N 353.470 1.897 0 50 FDAA Cc1csc(CN(C)C(=O)C2CCN([C@H]3CCS(=O)(=O)C3)CC2)n1 1506424794 CEVDSDVZQNPEPQ-AWEZNQCLSA-N 371.528 1.309 0 50 FDAA CN(C)CCc1nnc(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)s1 1506416589 FEQRMZBLHVPMOX-LBPRGKRZSA-N 374.470 1.024 0 50 FDAA O=C(NCCc1ccccc1)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1529119471 IHTGBACVHIUXER-UXHICEINSA-N 365.433 1.871 0 50 FDAA COc1ccccc1CN1C(=O)O[C@@H]2CN(CCCn3cccn3)C[C@@H]21 12302871 FUVSUTUZGNHAMZ-FUHWJXTLSA-N 356.426 1.987 0 50 FDAA CCOC(=O)[C@]1(CCc2ccccc2)CCCN(C(=O)CNC(C)=O)C1 12464374 SYXBFRMPUYASGJ-FQEVSTJZSA-N 360.454 1.927 0 50 FDAA C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1F)C(=O)O 16648768 YIEGAKZFLFSYOD-SNVBAGLBSA-N 358.391 1.203 0 50 FDAA COc1ccc(CN2C(=O)N[C@H](CCC(=O)Nc3ccn(C)n3)C2=O)cc1 206241724 JYHIRPCYMLDORT-CQSZACIVSA-N 371.397 1.268 0 50 FDAA CNC(=O)C[C@H]1CN(C(=O)c2c(Cl)cccc2OCC2CC2)C[C@@H]1O 1857531229 RTMKHNVISLBIMQ-JSGCOSHPSA-N 366.845 1.698 0 50 FDAA C[C@H]1CN(C(=O)c2cnc3ccccn3c2=O)CCN1c1ccc(F)cn1 1857683261 ZDWJMRHUOOQUNQ-ZDUSSCGKSA-N 367.384 1.580 0 50 FDAA Cc1ccc2oc(N3CCC(C(=O)N4CCC[C@H](CO)C4)CC3)nc2n1 1857702042 XMTMUHZYUVORTO-AWEZNQCLSA-N 358.442 1.979 0 50 FDAA O=C(NCCOc1cccc2cccnc12)[C@H]1CC[C@H]2OCCN[C@@H]2C1 1857712978 PTWIPPZNDDDIPM-GVDBMIGSSA-N 355.438 1.887 0 50 FDAA Cc1oc(-c2ccccc2)nc1CC(=O)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857722027 CHOGPHCIXGGGON-UZLBHIALSA-N 367.405 1.752 0 50 FDAA O=C(N1CCCCCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 1070643 AGUCIRHBJODEKV-UHFFFAOYSA-N 351.472 1.989 0 50 FDAA C[C@@]1(C(=O)NC[C@@H](O)COc2ccccc2Br)CCNC1 237504939 YMLKRYYTNCZHJW-IAQYHMDHSA-N 357.248 1.305 0 50 FDAA CCCCN[C@H]1CS(=O)(=O)C[C@H]1S(=O)(=O)c1ccc(CC)cc1 19820900 YNILANWCUMEALI-JKSUJKDBSA-N 359.513 1.578 0 50 FDAA CC(C)C(=O)Nc1nc(CC(=O)N2CCOC[C@@]23CCOC3)cs1 367008689 BSNAXEYTVDAQOT-INIZCTEOSA-N 353.444 1.298 0 50 FDAA CCC[C@]1(C(=O)O)CCN(S(=O)(=O)c2cc(C)ccc2C)C[C@@H]1O 1704307580 APLKKPXBUQXZQM-RDJZCZTQSA-N 355.456 1.930 0 50 FDAA O[C@@]1(Cc2nc(C3CC3)no2)CCCN(Cc2cn3cccnc3n2)C1 818190649 GYJRVHJAFWQYDT-GOSISDBHSA-N 354.414 1.559 0 50 FDAA Cn1nc2ccccc2c1C(=O)N[C@H]1CCOC[C@H]1Nc1ccncn1 952888133 CVZXMFYOLWDGMA-LSDHHAIUSA-N 352.398 1.363 0 50 FDAA O=C(NC[C@@]1(C(=O)O)CCCOC1)N1CCOC[C@H]1Cc1ccccc1 1875292047 UTUWBCAMADNZCN-APWZRJJASA-N 362.426 1.521 0 50 FDAA CC(=O)c1cccc(C(=O)NS(=O)(=O)c2cnc3onc(C)c3c2)c1 1875335608 YBKOZOFADCWZLU-UHFFFAOYSA-N 359.363 1.853 0 50 FDAA Cc1nc(CN2CCC[C@@H](NC(=O)c3cn(C)nc3C(F)F)C2)n[nH]1 1875335315 BFDJQIWOWGCBFU-SNVBAGLBSA-N 353.377 1.179 0 50 FDAA CCc1nccc(=N[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)[nH]1 1875301026 ANAPMYPZJUJPRG-CQSZACIVSA-N 369.473 1.260 0 50 FDAA Cc1cc(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2nccn2C)cnn1 886095520 YUBWOXCSDQSXBU-GDBMZVCRSA-N 354.414 1.143 0 50 FDAA Cc1n[nH]cc1C(=O)N[C@H]1COC[C@H]1Oc1cnn(-c2ccccc2)c1 888095215 UCNZNFSZKSDUJY-DLBZAZTESA-N 353.382 1.480 0 50 FDAA COc1ccc(N2CCN(C(=O)c3cccc4ncnn34)[C@@H](C)C2=O)cc1 2100544887 AAIBGFWMUGJMFF-ZDUSSCGKSA-N 365.393 1.615 0 50 FDAA O=C(c1ccn(-c2ccc(F)c(F)c2)n1)N1CCC[C@@](O)(C(=O)O)C1 2325779126 IKSWMBUMYMTYRU-INIZCTEOSA-N 351.309 1.202 0 50 FDAA CN(C[C@@H]1CCOC1)C(=O)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2F)C1 2325806896 MYRLBHBVACCHCC-JSGCOSHPSA-N 374.420 1.327 0 50 FDAA CC(C)[C@@H](C)CC(=O)N1CC[C@H](NC(=O)C(F)(F)c2cnccn2)C1 2325860907 YMCXCRSLNQMJNF-STQMWFEESA-N 354.401 1.968 0 50 FDAA O=C(NC[C@H]1C[C@@H](NC(=O)c2ccc3cccnc3c2)C1)c1ccnnc1 2325870525 BGNJTTGZYGALTK-XFHMXUHZSA-N 361.405 1.963 0 50 FDAA CC(C)N1CC[C@@H](NC(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)C1=O 114785743 PCDCTYCQKBOUBA-MLGOLLRUSA-N 358.442 1.941 0 50 FDAA COc1ccc(OCC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1 1457343 KHEXJXSMUQSDGM-UHFFFAOYSA-N 368.433 1.988 0 50 FDAA CCCN1CCC[C@]2(CCCN2C(=O)c2ccc(-n3cnnn3)cc2)C1=O 2356148987 CTRFIGVKTILRRA-IBGZPJMESA-N 368.441 1.670 0 50 FDAA Cc1cccn2c(=O)c(C(=O)NCCCN3CCCC[C@H]3C)c(O)nc12 8604399 MUKHSPVJZMTUHZ-CQSZACIVSA-N 358.442 1.703 0 50 FDAA O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)NC[C@H]1C[C@H]2C=C[C@H]1C2 101673082 AVDKMVVTFWHMCC-SZOQZIPDSA-N 353.422 1.846 0 50 FDAA COc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)N1CCCCC1 9063789 OFERPFXXKPHVGN-UHFFFAOYSA-N 368.455 1.342 0 50 FDAA C[C@H](NC(=O)N1CCO[C@H](Cn2cccn2)C1)c1nnc2ccccn12 111808390 YXCXYWCJMHSXEH-KBPBESRZSA-N 355.402 1.097 0 50 FDAA CN1CCC[C@H]1CCN1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 248034422 KXPZKQLRVAYPEN-ICSRJNTNSA-N 356.514 1.894 0 50 FDAA C[C@@H](O)[C@H](NC(=O)c1cc(COc2ccc3c(c2)CCCC3)on1)C(N)=O 67921768 RTDXIDKRJODKPJ-DIFFPNOSSA-N 373.409 1.097 0 50 FDAA O=C(Cn1ncc2ccccc2c1=O)Nc1nnc([C@@H]2CCCO2)s1 61721634 LHUIMSUUJCFINC-LBPRGKRZSA-N 357.395 1.738 0 50 FDAA CN1CCC2(CC1)CN(C(=O)CN1CCOc3ccccc3C1)CCN2C 67772842 ZPYLXQZDYLRSGQ-UHFFFAOYSA-N 372.513 1.119 0 50 FDAA COc1ccccc1OCCCN1C(=O)N[C@](C)(C2CCNCC2)C1=O 67847119 AERMOGWAEFBYBK-LJQANCHMSA-N 361.442 1.774 0 50 FDAA CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1ccc(O)c(Cl)c1)C2 212865346 REGMFVFHXINTDT-PWSUYJOCSA-N 358.847 1.542 0 50 FDAA COc1ccc(OCC(=O)N2N=C(C(F)F)C[C@]2(O)C(F)F)cc1 654283 VFZUZQJMIFNPPE-AWEZNQCLSA-N 350.268 1.881 0 50 FDAA CN(C)c1nc(-c2ccccc2)nc2c1CCN(C(=O)c1cc(N)[nH]n1)C2 71404007 PODSNEQAPWEYCJ-UHFFFAOYSA-N 363.425 1.713 0 50 FDAA Cc1ccc(CN2CCN(Cc3ccncc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 72479735 JONQCIPLLLHHIF-VQTJNVASSA-N 371.506 1.873 0 50 FDAA O=C(O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2 217348340 YSWNWJUKLUOERO-FJJYHAOUSA-N 350.168 1.820 0 50 FDAA COCCN1CCC(CN(C)C(=O)c2nc(=O)[nH]c3ccccc23)CC1 215956720 IENGRWUDJZVKSK-UHFFFAOYSA-N 358.442 1.354 0 50 FDAA Cn1cc([C@H]2CS(=O)(=O)CCN2C(=O)CCCc2cccs2)cn1 328616449 BSDVTPVFCWDVHG-OAHLLOKOSA-N 367.496 1.803 0 50 FDAA Cc1cc(C)n(-c2ccc(C(=O)NCCN(C)S(C)(=O)=O)cc2)n1 77376521 ASDWNWUDMHDOPT-UHFFFAOYSA-N 350.444 1.110 0 50 FDAA CC(C)c1cc(C(=O)N2CC[C@@H](Nc3ccc4nccn4n3)C2)nn1C 329074690 ABGKQZKBUCWRNW-CYBMUJFWSA-N 353.430 1.913 0 50 FDAA Cc1c(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)n[nH]c1-c1ccncc1 362950888 AJNIKWKHCXFVBV-AWEZNQCLSA-N 353.426 2.510 0 50 FDAA CN1C(=O)N(CC(=O)N[C@@H]2c3ccccc3C[C@H]2O)C(=O)C12CCCCC2 363309265 QPCCCLYDZHKKDR-NVXWUHKLSA-N 371.437 1.358 0 50 FDAA CCCc1cc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2CC=C(C)C)n[nH]1 72128117 MSAGWMYTZIBLGE-QGZVFWFLSA-N 361.490 1.477 0 50 FDAA O=S(=O)(c1cc(Cl)c(Cl)s1)N1C[C@H]2C[C@H](O)[C@@H](O)C[C@H]2C1 72144220 HHAPOZHALMYWSI-MBLNEYKQSA-N 372.295 1.807 0 50 FDAA CCc1ncc(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CCCOC)C2)cn1 72440005 DXFDTGVUJWAJTP-GOEBONIOSA-N 360.458 1.529 0 50 FDAA CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CCc1nc(-c3cccnc3)no1)C2 72458967 OOBFDMUBYQCYHA-UONOGXRCSA-N 355.398 1.143 0 50 FDAA CCN(CC(=O)O)C1CC(NC(=O)NCCOc2ccc(OC)cc2)C1 262873254 AHABTPPMOJRQGL-UHFFFAOYSA-N 365.430 1.311 0 50 FDAA Cn1cc([C@@H](NC(=O)c2ccc(N3CCOCC3)cc2)C2CC(O)C2)cn1 222337343 YCKNUVSFOQIXQR-PPSBMQLTSA-N 370.453 1.499 0 50 FDAA NS(=O)(=O)C[C@@H]1CCN(C(=O)c2ccc3cccc(Cl)c3n2)C1 426685210 ATWUXBSLCVVURO-SNVBAGLBSA-N 353.831 1.639 0 50 FDAA CCCn1ncc(CN2CCn3nc([C@H](O)CC(=O)N(C)C)cc3C2)c1C 221172237 ITFMQGPITJEESQ-GOSISDBHSA-N 374.489 1.326 0 50 FDAA Cc1ncsc1CCNC(=O)N(Cc1ccncc1)C[C@@H]1CCC(=O)N1 426620299 VQTQHRCZSRMZOV-HNNXBMFYSA-N 373.482 1.879 0 50 FDAA O=C1CC[C@@]2(CCCN(C(=O)c3cccnn3)C2)CN1CCc1c[nH]cn1 82121974 OZKQARDAOIWHNJ-IBGZPJMESA-N 368.441 1.287 0 50 FDAA CCc1noc(Cn2nc(CC3CCNCC3)n(-c3ccccc3)c2=O)n1 199362728 AGBKEUQQYJKLMD-UHFFFAOYSA-N 368.441 1.570 0 50 FDAA CCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CCS(=O)(=O)c1ccccc1 82115741 ISHLIYANWMQDIB-KBPBESRZSA-N 370.446 1.316 0 50 FDAA CS(=O)(=O)CCN1C[C@H](C2CC2)[C@@H](NC(=O)CC2CCCCC2)C1 91635878 ZHUWPWURVNWFKQ-SJORKVTESA-N 356.532 1.828 0 50 FDAA O=C(O)Cn1nccc1[C@@H]1CCCN(C(=O)CNC(=O)c2ccccc2)C1 426522826 AMJBPIJKFFVPMG-OAHLLOKOSA-N 370.409 1.104 0 50 FDAA CN(Cc1noc(C2CCC2)n1)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 95515291 LREBVGCGTZCLBJ-AWEZNQCLSA-N 369.425 1.739 0 50 FDAA CCOc1ccccc1CC(=O)N1CCN(C)[C@@]2(CCNC(=O)CC2)C1 91390982 FWSVAPPCOOGRMY-FQEVSTJZSA-N 359.470 1.441 0 50 FDAA Cc1oncc1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 91636788 LNYVSRDKRIHXBI-UHFFFAOYSA-N 369.425 1.632 0 50 FDAA COC(=O)N[C@@H](C)C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1 95504784 CPGYJTAWKPJRFG-AWEZNQCLSA-N 371.441 1.777 0 50 FDAA Cc1cccc(C)c1OC1CN(C(=O)c2sccc2S(N)(=O)=O)C1 95354392 OQMOQYGGFACSNR-UHFFFAOYSA-N 366.464 1.916 0 50 FDAA COCCc1noc(CNC(=O)C2CCN(C(=O)C3CCCC3)CC2)n1 95357758 BZUCGJMGRJINNA-UHFFFAOYSA-N 364.446 1.304 0 50 FDAA COc1ccccc1CCNC(=O)CN1CCC(c2nccn2C)CC1 91657064 DNYKOQYQWKTJJU-UHFFFAOYSA-N 356.470 1.967 0 50 FDAA COc1ccc(CNC(=O)[C@H]2CC[C@H](Cn3cnnn3)CC2)cc1OC 238937053 SZOHAIPFLDCBAC-CTYIDZIISA-N 359.430 1.813 0 50 FDAA Cn1cccc1-c1cc(C(=O)N2CCNC(=O)[C@@H]2c2cccc(F)c2)[nH]n1 91444516 LSYDXKYXXVGQEJ-KRWDZBQOSA-N 367.384 1.868 0 50 FDAA Cc1cc(N2CCC[C@H](c3nnc(Cn4ccnc4C)n3C)C2)nc(N)n1 95368228 ROJAJPMXQZLQEB-AWEZNQCLSA-N 367.461 1.433 0 50 FDAA C[C@@H]1OCC[C@@H]1C(=O)NC(C)(C)C1CCN(C(=O)[C@H]2CCO[C@@H]2C)CC1 333809579 ZWZLHCASFKIEPF-FSDCSDTHSA-N 366.502 1.970 0 50 FDAA CCN1CC[C@@]2(CCC1=O)CN(Cc1ccc(C(=O)O)cc1)CCN2C 91434913 KFYJEWMNWKIFGS-FQEVSTJZSA-N 359.470 1.903 0 50 FDAA NC(=O)[C@@H]1CCCN(CCNC(=O)Nc2cccc(-c3cnco3)c2)C1 95523829 WMUIKXQROLGFHE-CQSZACIVSA-N 357.414 1.660 0 50 FDAA CCC[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)c1ccc2c(c1)OCO2 91997568 DIYSVDBYFISAMZ-STQMWFEESA-N 354.428 1.205 0 50 FDAA CN(CC[C@@H]1CCCCO1)C(=O)CN1CC(=O)N(C)c2ccccc2C1=O 95511602 BQSGFSUCVLCZMN-HNNXBMFYSA-N 373.453 1.523 0 50 FDAA N[C@H]1C[C@@H](c2cc(N3CCN(CCOc4ccccc4)CC3)ncn2)C1 244763832 OWFVDAVECZZCFR-CALCHBBNSA-N 353.470 1.882 0 50 FDAA Cc1cc(NC(=O)CN2CCC(C(=O)NCc3ccccn3)CC2)no1 244884313 YJUSUSDFPHAAOO-UHFFFAOYSA-N 357.414 1.345 0 50 FDAA CNc1cc([C@H]2C[C@@H](NS(=O)(=O)c3cc(F)ccc3F)C2)nc(N)n1 243901284 BAVYYPJNBHNDGO-WAAGHKOSSA-N 369.397 1.603 0 50 FDAA Cc1cc(C)n([C@H]2CCN(CCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)C2)n1 244716046 LHHZBYCTWMIPJP-HNNXBMFYSA-N 368.441 1.945 0 50 FDAA COc1cncc([C@@H](NC(=O)Cc2c(C)nc(C)nc2O)[C@H]2C[C@H](O)C2)c1 253535124 IGFZMJYNWLWTJW-YEWDVWPNSA-N 372.425 1.374 0 50 FDAA O=C1CC2(CCN(CC(=O)Nc3ccc(Cl)c(C(=O)O)c3)CC2)CN1 252507750 WTLIRVDSFDLLAV-UHFFFAOYSA-N 365.817 1.579 0 50 FDAA COc1ccc(CCN2C(=O)[C@@H](CC(=O)NC(C)C)N=C2O)cc1OC 252522929 BKQSPISZAKKVJG-CYBMUJFWSA-N 363.414 1.286 0 50 FDAA CCN(C(=O)c1cccc(-c2nccnc2NC)c1)[C@H]1CCS(=O)(=O)C1 534666295 COHJQEMNDJFBDF-HNNXBMFYSA-N 374.466 1.835 0 50 FDAA Cc1cc(OC[C@H](O)CNC(=O)NCCc2ncc[nH]2)ccc1Cl 534673080 XENXKXZYLCWAKL-GFCCVEGCSA-N 352.822 1.653 0 50 FDAA Cc1ccc([C@H]2CN(C(=O)Cn3nc(C)c(C)cc3=O)C[C@@H]2N(C)C)cc1 219704077 IQCRVEZGINBBRH-MOPGFXCFSA-N 368.481 1.725 0 50 FDAA Cc1nc2ccc(C(=O)N3C[C@@H]4CC[C@H]3CN(S(C)(=O)=O)C4)cc2o1 219841159 FJXKTAIPNFBOQI-OCCSQVGLSA-N 363.439 1.632 0 50 FDAA COc1ccc(NC(C)=O)cc1NC(=O)NCCN1CCC[C@H](CO)C1 299782790 XHRJVFIGWRMHND-AWEZNQCLSA-N 364.446 1.479 0 50 FDAA CC1(C)SC[C@H](C(=O)NCc2ccc(N3CCCC3=O)cc2)NC1=O 299762127 LADLYQMYPOYTGT-CQSZACIVSA-N 361.467 1.440 0 50 FDAA Cc1nc(O)nc(C)c1CCC(=O)N1CCCN(Cc2ccncc2)CC1 299763659 ZBWFUZXLINSYSS-UHFFFAOYSA-N 369.469 1.861 0 50 FDAA COCC(=O)Nc1cccc(NC(=O)N2CCNC(=O)[C@@H]2C(C)C)c1C 299773667 FEZUSFQFSNNAST-INIZCTEOSA-N 362.430 1.568 0 50 FDAA Cc1nc(N(C)C)ncc1C(=O)N[C@H]1CCCN(Cc2cccnc2)C1 299793669 JIXQUWRIPSOYCX-INIZCTEOSA-N 354.458 1.640 0 50 FDAA O=C(NCc1cccc(F)c1)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 299792410 GHZLGKRIGHBMNH-RUENVJTFSA-N 364.417 1.524 0 50 FDAA CC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ncnc4ccccc34)CC2)C1 584897775 YXUXMGRIAONDGQ-MRXNPFEDSA-N 367.453 1.537 0 50 FDAA CCn1nc(CO)c2c1CCN(C(=O)c1cnn(-c3ccccn3)c1C)C2 670470280 WHXACJDXKWWBPX-UHFFFAOYSA-N 366.425 1.483 0 50 FDAA CN(CCc1ncnn1-c1ccc2c(c1)CCC2)[C@@H]1CCS(=O)(=O)C1 670474356 OPTLALCWBKRKOQ-QGZVFWFLSA-N 360.483 1.417 0 50 FDAA Cc1cc(NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)cc2sc(N)nc12 952985954 UOWDBSWSYHAAML-NSHDSACASA-N 368.484 1.244 0 50 FDAA C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CCO[C@@H](CC(=O)O)C2)CC1=O 269031701 MWQBFVKKIOHRJN-BMFZPTHFSA-N 360.410 1.298 0 50 FDAA O=C1CN(C(=O)CCC(=O)N2CCc3[nH]ncc3C2)c2ccccc2N1 299290287 INHMWHYVTIPOJL-UHFFFAOYSA-N 353.382 1.060 0 50 FDAA O=C(NCC(=O)N1CCOC[C@H]1[C@H]1CCCCC1=O)c1ccc(F)cc1 274055151 JTKHPJPQAHIQKM-CVEARBPZSA-N 362.401 1.542 0 50 FDAA COC(=O)C1CCC(C(=O)N2CSC[C@@H]2C(=O)N2CCCC2)CC1 408040794 JMEBJPUWSCVJOP-JXQTWKCFSA-N 354.472 1.490 0 50 FDAA O=C(Cc1cccc2ccccc12)N1CCC[C@@H](N2CCNCC2=O)C1 186608610 JAOZBNXNTAFPEO-GOSISDBHSA-N 351.450 1.805 0 50 FDAA NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)CCC(=O)Nc1ccc2c(c1)CCC2 1616092382 ZMSUMXCEIGKLFN-IRXDYDNUSA-N 355.438 1.830 0 50 FDAA CNC(=O)Cn1cc(NC(=O)Cc2cc3c(cc2Cl)OCCO3)cn1 1506418128 DXEKTZUKWSZAQN-UHFFFAOYSA-N 364.789 1.235 0 50 FDAA NC(=O)N1CCC[C@@H](C(=O)NCCC(=O)Nc2cc(F)ccc2F)C1 1506417367 HQAJOSKZFVYFIZ-SNVBAGLBSA-N 354.357 1.200 0 50 FDAA COCC(C)(C)CNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl 1529120581 DMLQDJQQZNMZGZ-CABCVRRESA-N 354.834 1.685 0 50 FDAA CC(=O)c1c(C)nn(CCC(=O)N2C[C@H](O)[C@H](Cc3cc(C)no3)C2)c1C 1704350997 LEHLPNIMJVZTSB-WBVHZDCISA-N 374.441 1.451 0 50 FDAA Cc1noc(C)c1-c1nc2c(s1)CC[C@@H](C(=O)NCc1nc(O)n[nH]1)C2 1772807038 PCKYEMBJJUWASC-SECBINFHSA-N 374.426 1.660 0 50 FDAA CCOC(=O)C(Cc1ccc(OC)cc1C)(NC(C)=O)C(=O)OCC 5716609 JLCHQZXVBHJBCM-UHFFFAOYSA-N 351.399 1.547 0 50 FDAA Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1cnccn1 11841114 IIDGFRRHBGHIMW-SFHVURJKSA-N 367.453 1.134 0 50 FDAA C[C@H]1CN(C2(C(=O)NCCc3cn[nH]c3)Cc3ccccc3C2)C[C@@H](C)O1 14981045 MKTMYPUYOXRXDV-IYBDPMFKSA-N 368.481 1.715 0 50 FDAA CCCc1nnc(N2C[C@@H](C(=O)N(C)CCc3cn[nH]c3)CC2=O)s1 1857700561 JIFGEEBCDSTELS-LBPRGKRZSA-N 362.459 1.268 0 50 FDAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)Cn1cccnc1=O)CC2 1857710608 GWPMIIDNZSJWRG-UHFFFAOYSA-N 363.421 1.271 0 50 FDAA CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 1576657 RXVJYWBNKIQSSP-ROUUACIJSA-N 354.406 1.546 0 50 FDAA in-vitro CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)CSc1ccncc1)C2 247503407 GFEXTJOFSAQVLR-OLZOCXBDSA-N 355.485 1.056 0 50 FDAA COc1cccc(N2C[C@@H](NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1 363101806 VKRNAEWRNJGAGJ-AWEZNQCLSA-N 353.378 1.329 0 50 FDAA COc1cc(Br)c(CNC(=O)[C@@H]2C[C@H]2C(=O)O)cc1OC 262651189 RXKAYQZHTPTPPH-RKDXNWHRSA-N 358.188 1.803 0 50 FDAA Cn1cc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)n(C)c1=O 900481218 VIJPSBMKFZMUKL-UHFFFAOYSA-N 362.817 1.866 0 50 FDAA N=C(NCCNC(=O)c1ccc(Br)cc1)NC[C@H]1CCCO1 849010899 SEMLQUHIBGQHDO-CYBMUJFWSA-N 369.263 1.472 0 50 FDAA CCC(=O)N[C@@H](C(=O)N1C[C@@H](CN(C)C)[C@H](CN(C)C)C1)c1ccccc1 1875269610 VTLLLQBIDBHICJ-QWFCFKBJSA-N 374.529 1.452 0 50 FDAA NC(=O)CSc1ccccc1C(=O)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1 1875390640 WFFCWUWLJVDMNN-UHFFFAOYSA-N 370.390 1.046 0 50 FDAA C[C@H]1CO[C@@H](C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)[C@@H](O)C2CCCC2)C1 1875359750 OYKKQBDHHSZFRL-CHUNWDLHSA-N 356.438 1.018 0 50 FDAA C[C@@H](C(=O)N1C[C@@H]2CN(c3ncnc4[nH]ccc34)C[C@@H]2C1)n1ccnc1 1875405984 UFQSEASMPWYMIO-MELADBBJSA-N 351.414 1.310 0 50 FDAA O=C(C[C@H](O)c1ccccc1)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 1875407118 SXGIIXRWANFXFO-ZOFHRBRSSA-N 354.450 1.968 0 50 FDAA Cn1cnc2c(NC3(C)CC(NC(=O)[C@@H]4C[C@H]4F)C3)nc(Cl)nc21 1875405893 QTDUIDNSFLYYEG-WMHKFPPGSA-N 352.801 1.824 0 50 FDAA CS(=O)(=O)NCCCN(Cc1ccsc1)[C@@H]1CC12CCNCC2 886071653 DSKDOEDWBJFVOM-OAHLLOKOSA-N 357.545 1.632 0 50 FDAA Cc1cc(CN2C[C@@H]3[C@H](C2)[C@@H](N)CS3(=O)=O)ccc1Oc1cccnc1 2325773032 LCKYTHJBONZOMO-ZIFCJYIRSA-N 373.478 1.738 0 50 FDAA COc1ccc2cnn(CC(=O)N[C@@H]3C[C@H](C)n4ccnc43)c(=O)c2c1 2325791773 RRTJOXKSADVMDP-XHDPSFHLSA-N 353.382 1.424 0 50 FDAA Cc1cc(C)c(-c2cc(=NC(=O)[C@H]3CNCc4nccn4C3)[nH][nH]2)cc1C 2325796155 WPSZHQQSYZTYJE-HNNXBMFYSA-N 364.453 1.978 0 50 FDAA O=C(Cc1noc2ccc(Br)cc12)NC[C@H]1COC(=O)O1 2325797165 VJHKZBCTZVWACL-QMMMGPOBSA-N 355.144 1.784 0 50 FDAA COc1cc(Cl)cc2[nH]c(C(=O)NCC3(O)CC(C(=O)O)C3)cc12 2325863840 YPGMOFMVJMNVRO-UHFFFAOYSA-N 352.774 1.785 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)C1 2325889597 YGYPABMIRPBJEV-KBPBESRZSA-N 359.401 1.472 0 50 FDAA COc1cc(C(F)(F)F)nc(N(C)C[C@@H]2OCC[C@@H]2c2nc[nH]n2)n1 911603189 STTCNAKIVZPTRS-IUCAKERBSA-N 358.324 1.631 0 50 FDAA NCCNS(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2)CCC3)c1 130307164 YQKFYADGYNBQPI-UHFFFAOYSA-N 359.451 1.665 0 50 FDAA Cc1cc(C)n(Cc2ccc(N3C[C@H]4[C@@H](CO)[C@@H]5CC[C@@]4(C3)O5)nc2)n1 2356142252 KICUREWDNNJFAZ-LXZJYRNTSA-N 354.454 1.919 0 50 FDAA COC[C@H]1CCCN1S(=O)(=O)N1CC2(COc3ccccc3C2)C1 2356154317 QJMBQPBLNJQJLC-OAHLLOKOSA-N 352.456 1.279 0 50 FDAA O=C(c1cc(O)no1)N1CCC[C@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356168318 YOIMFEYXDMWHOI-LXIYXOSZSA-N 363.414 1.281 0 50 FDAA Cc1nn[nH]c1C(=O)N1CCC[C@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356170042 RUZJSJUHPUTEOE-DEYYWGMASA-N 361.446 1.014 0 50 FDAA NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccccc3Cl)CC2)C1 7848711 NGWFIWNKGDQIFR-CYBMUJFWSA-N 350.850 1.779 0 50 FDAA O=C(NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O)NCc1ccccc1 101669328 SPRMCSHMYGJTCK-LUKYLMHMSA-N 353.422 1.683 0 50 FDAA COCCSc1nnc(NC(=O)C2CCN(C(=O)N(C)C)CC2)s1 59759840 OXTZNBNXSAZBFK-UHFFFAOYSA-N 373.504 1.609 0 50 FDAA COc1ccccc1-c1cc(C(=O)NCc2cc3n(n2)CCNC3)[nH]n1 102544388 JVYIOUBEZVKCBB-UHFFFAOYSA-N 352.398 1.315 0 50 FDAA NC(=O)c1cncc(Oc2ccc(CN3CCOCC3)c3cccnc23)n1 67742932 QTSWIBOQUQRDOC-UHFFFAOYSA-N 365.393 1.748 0 50 FDAA CN1CCN(Cc2cnn(C)c2C2CC2)CC12CCN(C(=O)C1CC1)CC2 67774678 LWIOWAJBJASJFW-UHFFFAOYSA-N 371.529 1.816 0 50 FDAA CN(CC(=O)O)C(=O)[C@H]1C[C@@](C)(C(=O)O)N(C)[C@H]1c1ccc(Cl)cc1 67920428 KBCZHODEEAMYIE-JDFRZJQESA-N 368.817 1.719 0 50 FDAA COc1ccccc1CNC(=O)Cn1nc(N2CCC(C)CC2)ccc1=O 61720142 WUXPLYYBKXRAOW-UHFFFAOYSA-N 370.453 1.805 0 50 FDAA CC(C)[C@@H](CNC(=O)c1c(O)cnc2ccccc12)N1CCN(C)CC1 136949433 XGHMZIDVQQYYMM-QGZVFWFLSA-N 356.470 1.942 0 50 FDAA CN1CCN([C@@H]2CCN(Cc3cccn3-c3ccccn3)C[C@H]2O)CC1 20201863 SDJAEQQGRJGEGH-RTBURBONSA-N 355.486 1.055 0 50 FDAA CCn1c([C@H]2CCCN(C(=O)c3csc(SC)n3)C2)nn(C)c1=O 67878074 UQEPVJQICGSNPB-JTQLQIEISA-N 367.500 1.800 0 50 FDAA O=C(O)c1ccc([C@@H]2CCN(C(=O)CC3CCS(=O)(=O)CC3)C2)cc1 72165890 GJANUXYLBDAVAO-MRXNPFEDSA-N 365.451 1.916 0 50 FDAA COc1cc2c(cc1CN1CCN(Cc3nccn3C)CC1)OCCCO2 215140395 AFIVPIMKSWCJKF-UHFFFAOYSA-N 372.469 1.908 0 50 FDAA O=C(c1ccn(Cn2cccn2)n1)N1N=C(C(F)F)C[C@]1(O)C(F)F 6829995 YTQZPQJGLKUGII-ZDUSSCGKSA-N 360.271 1.006 0 50 FDAA CC(C)(C)[C@H]1OCC[C@@H]1CNC1CCN(CCN2CCOCC2)CC1 328617394 CRCIITMELWBLEX-MJGOQNOKSA-N 353.551 1.824 0 50 FDAA c1ccc2c(c1)CC[C@H](N1CCN(Cc3cc4n(n3)CCNC4)CC1)C2 72147425 YSPQJFODYFFTCD-FQEVSTJZSA-N 351.498 1.661 0 50 FDAA CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)Cc1ccn(C)n1)CC2 328654180 XHJVURWMJHDRFJ-OAHLLOKOSA-N 359.499 1.932 0 50 FDAA Cc1cc(S(=O)(=O)N[C@H]2CCCN(c3ccnn3C)C2=O)c(C)s1 328610395 HQIWTPAONZYJRU-LBPRGKRZSA-N 368.484 1.572 0 50 FDAA COc1cccc(-c2cn[nH]c2C2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)c1 71315681 WFDKQAKLUIMLFG-INIZCTEOSA-N 370.409 1.900 0 50 FDAA CN1CC2(CCN(C(=O)c3ccccc3-c3nc[nH]n3)CC2)C[C@@H]1C(=O)O 72155905 ZEKKDLRTPQKFGX-OAHLLOKOSA-N 369.425 1.483 0 50 FDAA C[C@@H](CO)NC(=O)c1cn2cc(-c3ccccc3Cl)n(C)c(=O)c2n1 72474843 JABLCYXWNDZXKW-JTQLQIEISA-N 360.801 1.464 0 50 FDAA O=C(NC1CCN(C(=O)N2CCOCC2)CC1)c1ccc(Cl)cc1O 215648892 ZAWHAIRGTNANQO-UHFFFAOYSA-N 367.833 1.692 0 50 FDAA O=C(N=c1cc(-c2ccccc2)[nH][nH]1)[C@H]1COCCN1CC(F)(F)F 483284852 QKEIZRVROZZALC-CYBMUJFWSA-N 354.332 1.700 0 50 FDAA COCc1noc(CCNC(=O)CSc2nc3cc(C)ccc3[nH]2)n1 219849822 ZMGWTYZYYQSMCR-UHFFFAOYSA-N 361.427 1.852 0 50 FDAA CCCCOc1ccccc1C(=O)N1CCNC[C@H]1C(=O)N1CCCC1 72138976 QQHDUCHLASWSLR-KRWDZBQOSA-N 359.470 1.902 0 50 FDAA Cc1ccc(S(=O)(=O)N2CC[C@H](CN3CCCC3)C2)cc1C(N)=O 374180514 IDBGTICCNBULDR-CQSZACIVSA-N 351.472 1.200 0 50 FDAA C[C@H](Sc1nncn1C)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 333010829 BEPSXAXMNPCFKV-XQQFMLRXSA-N 351.476 1.203 0 50 FDAA Cc1ncc2c(c1CNC(=O)c1ccccc1N1CCOCC1)CCNC2 72433807 VTWQWCNJPUEEEA-UHFFFAOYSA-N 366.465 1.802 0 50 FDAA Cc1nccnc1N1CC[C@@H]2[C@@H](CCC(=O)N2CCCn2ccnc2)C1 72447840 VKIXQWHQSYGLEL-DLBZAZTESA-N 354.458 1.889 0 50 FDAA Cc1cccc(C(=O)N[C@H](C)C(=O)NC2CCN(C[C@H]3CCOC3)CC2)c1 128109994 VPDVPVUFRCDKKB-IAGOWNOFSA-N 373.497 1.730 0 50 FDAA Cc1c(C(=O)O)sc2[nH]c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)c12 222550721 OHKRIYXZAKMMMB-UHFFFAOYSA-N 368.411 1.835 0 50 FDAA CC(=O)N1CCC[C@](O)(C(=O)N2CCCN(Cc3ccccc3)CC2)C1 284650728 CQLJVZKABNXSDU-HXUWFJFHSA-N 359.470 1.094 0 50 FDAA O=C(Cn1cnc2ccsc2c1=O)NC[C@H]1CCCN2CCCC[C@H]12 225406406 SOXYTSYVOZAGBS-UKRRQHHQSA-N 360.483 1.839 0 50 FDAA biogenic CCCn1cnnc1CNC(=O)N(C)C[C@@H]1CC(=O)N(C2CCCC2)C1 426699894 HYSQIMCMYJPATG-AWEZNQCLSA-N 362.478 1.621 0 50 FDAA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1ccc(S(C)(=O)=O)cc1 220087789 IJOGJNVSJCUFIH-SJORKVTESA-N 367.467 1.960 0 50 FDAA CCO[C@H](C)c1nc(CN2CCN(C(=O)c3c[nH]nn3)CC2)cs1 174430832 NENZPFIAASBBFY-LLVKDONJSA-N 350.448 1.317 0 50 FDAA CCS(=O)(=O)Nc1ccc(C(=O)NCc2noc(C(C)C)n2)cc1 220270578 UUBVZEONFDRKLB-UHFFFAOYSA-N 352.416 1.885 0 50 FDAA CN(C)C(=O)[C@H]1CN(C(=O)NCc2csc(-c3ccccc3)n2)CCO1 426479621 BVRXZGSLMQNPMX-OAHLLOKOSA-N 374.466 1.809 0 50 FDAA O=C(O)c1ccc(O[C@@H]2CCOC[C@H]2Nc2ncnc3[nH]cnc23)cc1 220398659 AVSQRDHSUXQJTD-CHWSQXEVSA-N 355.354 1.700 0 50 FDAA Cc1nc(CN2CCN(C(=O)[C@@H]3CCn4c(cnc4C)C3)CC2)oc1C 290404683 IDOSOJVJCHVYCW-MRXNPFEDSA-N 357.458 1.703 0 50 FDAA COc1cc(F)c(CN2CCn3nc(CNC(C)=O)cc3C2)cc1OC 91713570 ZOYLMFGIWGGXTP-UHFFFAOYSA-N 362.405 1.691 0 50 FDAA CCc1cc(N2CCC(N[C@@H]3CN4CCC3CC4)CC2)nc(N(C)C)n1 95528188 UTWMWGGJQQRSLX-GOSISDBHSA-N 358.534 1.758 0 50 FDAA O=C1C[C@@H](C(=O)N2CC(Oc3ccccc3F)C2)CN1Cc1ccncc1 95498881 HTPYSDPWXKONNX-OAHLLOKOSA-N 369.396 1.859 0 50 FDAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCC(=O)N2CCCCCC2)on1 96166250 ZIAJYEOOGVZFML-WBVHZDCISA-N 363.458 1.840 0 50 FDAA COc1cc(C(=O)NCCc2nccn2C)ccc1OC1CCN(C)CC1 95511721 HDBXSOVPDIRWHZ-UHFFFAOYSA-N 372.469 1.874 0 50 FDAA Cc1ccc2nc(CNC(=O)[C@H]3CC(=O)N(CCN(C)C)C3)[nH]c2c1C 95369788 QTVBCKLUAXDKDM-AWEZNQCLSA-N 357.458 1.206 0 50 FDAA CN1CCC(CNC(=O)N[C@H](CO)c2ccc(F)cc2)(N(C)C)CC1 426698163 DAGQMTNSBKYTMA-MRXNPFEDSA-N 352.454 1.184 0 50 FDAA Cc1cnn(CC(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc4c(c3)OCO4)C2)c1 91747058 GZVGKZBJAAJVRU-UONOGXRCSA-N 357.366 1.247 0 50 FDAA COc1ccccc1-n1cc(C(=O)N[C@H](Cc2ccco2)C(=O)O)cn1 95519977 ZENIGGRCGVBXGB-CQSZACIVSA-N 355.350 1.900 0 50 FDAA CC(C)(C)n1ccc(C(=O)N[C@H]2CN(S(C)(=O)=O)C[C@@H]2C2CC2)c1 91594973 WTVGSDAQZBXUBI-CABCVRRESA-N 353.488 1.643 0 50 FDAA O=C(c1ccnc(-n2cnnc2)c1)N1CCC(O)(c2ccc(F)cc2)CC1 97729457 SVIIXJUSGDULGO-UHFFFAOYSA-N 367.384 1.925 0 50 FDAA CCOCCn1nc(C)cc1C(=O)N1CCC2(CC1)[C@@H](OCC)C[C@H]2O 91444744 RYPHDVAGPVQOGF-SJORKVTESA-N 365.474 1.620 0 50 FDAA CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC)c2cnn(C)c2)cc1 92045440 LGDUBMZEUGCUSS-INIZCTEOSA-N 364.471 1.990 0 50 FDAA NS(=O)(=O)c1ccc(CNC(=O)c2ccc([C@H]3CCCNC3)cc2)cc1 97813712 AHEVGAXDZGJVQU-KRWDZBQOSA-N 373.478 1.731 0 50 FDAA NCC[C@H](N)C(=O)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 91793596 LMPQGTJVTQOMCF-KRWDZBQOSA-N 358.486 1.094 0 50 FDAA Cc1cc(C(=O)N(C)C)ccc1NC(=O)NCCS(=O)(=O)CC(C)C 97076145 YSTMYAVLQNJFRW-UHFFFAOYSA-N 369.487 1.889 0 50 FDAA COCC(=O)N1CCC(C(=O)N2CCN(C)C[C@H]2c2ccccc2)CC1 95391881 WRDYJTXIIKGUHB-SFHVURJKSA-N 359.470 1.387 0 50 FDAA CN(C)C(=O)c1cc2c(s1)CCN(C(=O)[C@H]1CCCN(C(N)=O)C1)C2 91914864 URRIFAILVVFVCF-NSHDSACASA-N 364.471 1.125 0 50 FDAA COCc1nc(CNc2nc3c(c(=O)[nH]2)Cc2ccccc2OC3)no1 95525884 FWROYDUDVGKJII-UHFFFAOYSA-N 355.354 1.395 0 50 FDAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cccc(N3CCNC3=O)c2)on1 95392359 AEYLJAYCJMWPGL-PBHICJAKSA-N 370.409 1.500 0 50 FDAA CNc1nc(N[C@H]2C[C@@H](c3cc(N4CCOCC4)ncn3)C2)ncc1F 244882858 YAOYKOCYKNSTQX-TXEJJXNPSA-N 359.409 1.642 0 50 FDAA COc1ccc(NC(=O)CN2C[C@H]3C[C@H](O)[C@@H](O)C[C@H]3C2)cc1Cl 252480243 BYYVWCJOJUZFQF-JLUCKKNBSA-N 354.834 1.351 0 50 FDAA COc1ccc([C@H](NC(=O)c2ccc(N(C)C)nc2)[C@H]2C[C@H](O)C2)cn1 252572421 ZGNRYXLMWXERTD-MPGHIAIKSA-N 356.426 1.793 0 50 FDAA O=C(N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)c1cnc(O)nc1O 253534805 GBBXASHMDQFBCF-TYNCELHUSA-N 357.366 1.065 0 50 FDAA Cc1nc([C@H]2CCCN(C(=O)NCCc3cn4ccccc4n3)C2)n[nH]1 274826251 GCSISWCVSRZSSE-AWEZNQCLSA-N 353.430 1.893 0 50 FDAA CCn1nc(CO)c2c1CCN(C(=O)c1cc(-c3ccc(C)o3)n[nH]1)C2 92061607 ZJJHSOMANRPZCR-UHFFFAOYSA-N 355.398 1.885 0 50 FDAA O=C(Cn1cc2ccccc2n1)N[C@@H]1CCN(Cc2cscn2)C[C@H]1O 299784946 IKMROIQTNKKGFF-IAGOWNOFSA-N 371.466 1.244 0 50 FDAA Cc1nc2cc(CC(=O)NC[C@H]3CCCN(S(C)(=O)=O)C3)ccc2[nH]1 299800534 WSBNATCLFNBULH-CQSZACIVSA-N 364.471 1.202 0 50 FDAA Cc1cnc(CNc2cc([C@@H]3CCOC3)nc(NCCO)n2)c(C)c1O 299763693 ZOFWTRYNAZOFLW-CYBMUJFWSA-N 359.430 1.714 0 50 FDAA Cc1cc(C)nc(-c2cccc(C(=O)N3CCN(S(C)(=O)=O)CC3)c2)n1 299759114 OCQKESUXJMSJDY-UHFFFAOYSA-N 374.466 1.478 0 50 FDAA O=C(NCCN1CCNC1=O)c1cccc(-c2cc(C(F)(F)F)n[nH]2)c1 299801610 ZVMGQEGONGMDLR-UHFFFAOYSA-N 367.331 1.851 0 50 FDAA CCn1cc(C(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)c(=O)c2ccc(C)nc21 823584085 VTOJMQVEYCWKQF-IUODEOHRSA-N 354.410 1.275 0 50 FDAA COCCn1cnnc1[C@@H](C)NC(=O)c1cc(O)nc2cc(F)ccc12 824466137 MKTUTBNFTWUXHH-SNVBAGLBSA-N 359.361 1.808 0 50 FDAA CSc1ncc(CNC(=O)N2CCC(N3CCSCC3)CC2)n1C 584890180 BASFRFCCASRECF-UHFFFAOYSA-N 369.560 1.865 0 50 FDAA Cc1sc2nc(CCNC(=O)Cn3ccccc3=O)nc(O)c2c1C 670441823 NECSGVSEZOHECF-UHFFFAOYSA-N 358.423 1.534 0 50 FDAA Cc1cn(CC(=O)NC2CCN(Cc3cccs3)CC2)c(=O)nc1O 670446599 VIAKYQSLKFTOJY-UHFFFAOYSA-N 362.455 1.100 0 50 FDAA Cc1nc(S(=O)(=O)N2CCC[C@@H](OCc3ccccn3)C2)cn1C 952986270 KKADSNWEQMIYIO-OAHLLOKOSA-N 350.444 1.493 0 50 FDAA Cc1nc(S(=O)(=O)N2CCCN(Cc3cccs3)CC2)cn1C 952975724 SUNCGWVTXKWEMH-UHFFFAOYSA-N 354.501 1.687 0 50 FDAA COc1cccc(C(=O)N2C[C@@H]3CN(C4CCOCC4)C[C@]3(C(=O)O)C2)c1 1565530428 VEKJFEFSDXKPDY-YWZLYKJASA-N 374.437 1.333 0 50 FDAA CCn1nc(C)c(CN2C[C@H](C(C)C)[C@@H](NS(=O)(=O)N(C)C)C2)c1C 1565508213 YBGVXICFBQMFGM-WBVHZDCISA-N 371.551 1.372 0 50 FDAA COc1cc(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3C)c(OC)cc1C 75940294 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COc1cc(CN2CCNC(=O)[C@H]2CC(=O)NC2CCC2)cc(OC)c1 12030879 DRFKXXOHPVXGOH-QGZVFWFLSA-N 361.442 1.063 0 50 FDAA O=C(NCCN1CCOCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 12864393 KYPNFAMHEXZGAR-UHFFFAOYSA-N 363.433 1.126 0 50 FDAA C[C@@H](O)c1cn(CC2CCN(C(=O)c3cccc(N(C)C)c3)CC2)nn1 19638543 OZIXTURGPOZZFY-CQSZACIVSA-N 357.458 1.950 0 50 FDAA COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)o2)C1=O 4472405 YFXABIHPOLZFPR-QSARLWQPSA-N 366.395 1.714 0 50 FDAA Oc1nc(N2CCOCC2)nc2c1CC[C@@]21CCCN(c2cnccn2)C1 1857692591 LSXGQMSUWZNBSK-LJQANCHMSA-N 368.441 1.293 0 50 FDAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3ccc4ccccc4c3)C[C@@H]12 1857698733 GKKYSLHNAXGYDQ-KSZLIROESA-N 358.463 1.639 0 50 FDAA O=C(c1nc2ccc(Cl)cn2c1F)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857721304 JCYNDWAZZNKTMS-HWPZZCPQSA-N 364.764 1.300 0 50 FDAA CCCCOCC(=O)N1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1 1857726100 WPLZCPNOWNTWQO-HKUYNNGSSA-N 353.434 1.757 0 50 FDAA CN(C)C[C@@H]1OCCN(C(=O)CCc2cccnc2)[C@H]1c1cnn(C)c1 1857726554 WUZCPIDHRLHKEL-HKUYNNGSSA-N 357.458 1.278 0 50 FDAA CC(=O)N(CC(=O)O)[C@@H]1CCCN(C(=O)c2cnc(N)c(Cl)c2)CC1 328645699 SIBVDHYNVABQTI-GFCCVEGCSA-N 368.821 1.245 0 50 FDAA CC(C)n1ccc(CN(Cc2cn3c(n2)CCCC3)S(C)(=O)=O)n1 331800612 LUZGWVULIGKYNK-UHFFFAOYSA-N 351.476 1.959 0 50 FDAA CC(C)(C)CN1CCC[C@@H](N2CCC(N3CCCS3(=O)=O)CC2)C1=O 334041253 OMHFNVJSRDJPIP-MRXNPFEDSA-N 371.547 1.523 0 50 FDAA C[C@@H](NC(=O)N1CCOCC(F)(F)C1)c1ccc2c(c1)NC(=O)CO2 460138414 KVHJPZKVPDACRY-SNVBAGLBSA-N 355.341 1.756 0 50 FDAA COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC)[C@@H]1c1ccc(SC)cc1 247814755 FMQSMLOXIIOWID-ADAWSYLGSA-N 366.435 1.794 0 50 FDAA CC(C)(CNC(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1)N1CCOCC1 19720614 XCSJNPPAGATFGT-OAHLLOKOSA-N 351.491 1.395 0 50 FDAA COCCN1CCC(NC(=O)c2c(Cl)cccc2S(C)(=O)=O)CC1 476789328 LUODJQJTVCBEEE-UHFFFAOYSA-N 374.890 1.584 0 50 FDAA O=C(O)[C@@H]1[C@@H]2CCN(S(=O)(=O)c3c(Cl)nc4sccn34)C[C@H]21 871777073 MXOOIIYKCMDRTQ-BWZBUEFSSA-N 361.832 1.390 0 50 FDAA Cc1nc2ccc(C(=O)N(C)C[C@H]3OCC[C@H]3c3nc[nH]n3)cc2n1C 952888741 MHMOXPPRMDGMQB-CZUORRHYSA-N 354.414 1.645 0 50 FDAA CNC(=O)c1cc(CNC(=O)[C@@H](O)c2ncccc2C)n2c1CCCC2 952888001 BFTDHSMBQLTRHH-KRWDZBQOSA-N 356.426 1.237 0 50 FDAA CN1CCOC[C@]12COCN(C(=O)Cc1cc3cc(Cl)ccc3[nH]1)C2 1875297084 BSUWIOUROFXUIT-GOSISDBHSA-N 363.845 1.881 0 50 FDAA Cc1cccn2c(CC(=O)N(C)[C@@H]3CCN(C(=O)[C@H]4C[C@H]4C)C3)cnc12 1875326745 TWIKLVDNHGJYGU-INMHGKMJSA-N 354.454 1.901 0 50 FDAA Cc1c([C@@H]2[C@@H](C(=O)O)CC(=O)N2Cc2cccc3c2OCO3)cnn1C 886096812 QDUYYPHDBYIJGQ-LRDDRELGSA-N 357.366 1.632 0 50 FDAA O=C(NCc1ccnc(-n2cncn2)c1)N1CCC[C@H](C2CCNCC2)C1 892360530 FTOVBGABRIUZBY-KRWDZBQOSA-N 369.473 1.584 0 50 FDAA Cc1cc(C)c2cc(NC(=O)C[C@H]3CS(=O)(=O)CCN3C)ccc2n1 895060778 NSEOXWIGBYYAGA-HNNXBMFYSA-N 361.467 1.909 0 50 FDAA Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C 4782854 IJXKBVHLTIBBFX-UHFFFAOYSA-N 373.434 1.655 0 50 FDAA O=C(N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O)c1n[nH]cc1-c1ccccc1 2325798035 IFTSRBAEZVYYFO-IAOVAPTHSA-N 351.410 1.843 0 50 FDAA Cc1ccc(S(=O)(=O)NC(=O)CNC(=O)Nc2ccccc2)c(C)c1 916173342 SOVFHVJYZOFDLV-UHFFFAOYSA-N 361.423 1.930 0 50 FDAA CC[C@](C)(NC(=O)CC(F)(F)C(F)F)c1cn([C@@H](C)C(=O)O)nn1 2332239293 DHFRNMIQUUXUOZ-MADCSZMMSA-N 354.304 1.956 0 50 FDAA CN1CCC[C@]2(CCCN2C(=O)c2ccc(S(C)(=O)=O)cc2)C1=O 2356135089 PFGNCBAKHUZFAN-KRWDZBQOSA-N 350.440 1.317 0 50 FDAA C[C@@]1(O)CCOC2(CCN(C(=O)c3ccc4ccccc4n3)CC2)[C@H]1O 2356139825 ZNXVPLJIIFCXNL-RBUKOAKNSA-N 356.422 1.742 0 50 FDAA Cc1nc(O)nc(C)c1CCC(=O)N1CCc2nc(C3CC3)nn2CC1 2356159618 JMKIVZOGFKIMJO-UHFFFAOYSA-N 356.430 1.285 0 50 FDAA CCN=c1ncc(CN2CC[C@@H](O)[C@](CCC(C)C)(C(=O)O)C2)c[nH]1 2356160981 ANMBPMCMYTZIGT-CRAIPNDOSA-N 350.463 1.404 0 50 FDAA COCCn1c(CN2CCC[C@H](OC)C2)cnc1S(=O)(=O)CC1CC1 55183377 PZWXZZWMMCLSAK-INIZCTEOSA-N 371.503 1.324 0 50 FDAA Cc1ncc(C)c(N2CCC(n3cc(CN4CCCNCC4)nn3)CC2)n1 23214437 BQIOMPFGOGUUTK-UHFFFAOYSA-N 370.505 1.322 0 50 FDAA COc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1N1CCCC1=O 20483242 BQPGVQVQCRPUMJ-GFCCVEGCSA-N 354.428 1.279 0 50 FDAA CCS(=O)(=O)Cc1nc2c([nH]1)C[C@H](c1ccc(F)cc1)CNC2=O 65385349 BEJCXOIHGOYNQR-NSHDSACASA-N 351.403 1.553 0 50 FDAA Cn1nc([C@@H]2CCCN(Cc3cnc(N)nc3)C2)n(-c2ccccc2)c1=O 67817315 UGGCWZFEPOLNPI-OAHLLOKOSA-N 365.441 1.323 0 50 FDAA O=C(c1ccsc1)N1CCCN(S(=O)(=O)N2C[C@H]3CC[C@H]2C3)CC1 246711498 ZZGUZKHHXIOLSH-ZFWWWQNUSA-N 369.512 1.625 0 50 FDAA CC(=O)NC[C@@H]1CCCN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C1 67975235 IHMQWRPFCPFNJT-ZDUSSCGKSA-N 357.410 1.605 0 50 FDAA CN(C[C@@H]1Cc2ccccc2CN1C)c1nc(N)nc2c1CCNCC2 72479574 BBAIJUXQFGKGPB-INIZCTEOSA-N 352.486 1.240 0 50 FDAA CCC(CC)N1C[C@H](C(=O)N2CCC(N(CC)CC(=O)O)CC2)CC1=O 328647261 TWJQUTHOUVORLN-CQSZACIVSA-N 367.490 1.421 0 50 FDAA CC(=O)N1CCCN(c2ccc(F)cc2NC(=O)NC(C)(C)CO)CC1 363943177 CYGXYOZLUGSFIF-UHFFFAOYSA-N 366.437 1.777 0 50 FDAA C[C@H]1c2ccc(F)cc2CCN1C(=O)c1cc(N2CCNC(=O)C2)ccn1 170605080 QWDULLXTYVTUCI-ZDUSSCGKSA-N 368.412 1.916 0 50 FDAA COCc1nc2n(n1)C[C@H](NC(=O)c1cc(C)n([C@H](C)C3CC3)n1)CC2 329391313 VIGSEYPQRIBZDK-TZMCWYRMSA-N 358.446 1.645 0 50 FDAA O=S(=O)(c1ccc(Cn2nnc(-c3ccsc3)n2)o1)N1CCCC1 124446332 WJFLUDQHOCIINX-UHFFFAOYSA-N 365.440 1.827 0 50 FDAA O=C(NC[C@H](c1cccnc1)N1CCCCC1)c1cn2c(n1)CNCC2 72144576 RWVGPSFBKCMXCQ-QGZVFWFLSA-N 354.458 1.338 0 50 FDAA CCN1CC2(CCN(C(=O)c3ccccc3-c3nnn[nH]3)CC2)CC1=O 72409209 IMTXDMUONBJHTC-UHFFFAOYSA-N 354.414 1.341 0 50 FDAA Cc1nn(C)cc1CN1CCN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 72419552 FPGRNYGJNMGJOG-MOPGFXCFSA-N 374.510 1.212 0 50 FDAA Cc1cnn(C2(C(=O)O)CCN(C(=O)c3cnn4ccccc34)CC2)c1 72425022 LLONULSVOHIFEI-UHFFFAOYSA-N 353.382 1.555 0 50 FDAA Cc1cnc2c(C(=O)N[C@@H]3CC(=O)N(Cc4ccc(F)cc4)C3)cnn2c1 72158991 ZYWLVBWBACHEKG-OAHLLOKOSA-N 367.384 1.708 0 50 FDAA COCCNC(=O)[C@H]1CCCN(C2CCN(Cc3nccs3)CC2)C1 71639514 UJZDSNHPWNEYPA-HNNXBMFYSA-N 366.531 1.582 0 50 FDAA CC(C)Cc1cc(C(=O)NCc2nc(-c3ccccc3)n[nH]2)nc(N)n1 215979215 HVCFWYSTQKUQSY-UHFFFAOYSA-N 351.414 1.972 0 50 FDAA COCCOc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)cc1 49757795 NAEQQXAKFIURAY-MRXNPFEDSA-N 363.458 1.722 0 50 FDAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@H]1CCS(=O)(=O)C1 44720258 IMNKXIGWSLGJRH-OAHLLOKOSA-N 361.467 1.583 0 50 FDAA Cc1nc2n(n1)C[C@@H](NCc1ccccc1OCC(=O)N1CCCC1)CC2 237710795 SDEUTJHLKMBDLU-KRWDZBQOSA-N 369.469 1.692 0 50 FDAA O=C(O)c1ccnc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)c1 263383182 DBKSEEGZSNYATL-MRXNPFEDSA-N 353.378 1.873 0 50 FDAA COc1ccc(C)cc1S(=O)(=O)N[C@H](c1cnn(C)c1)C1CC(O)C1 222873277 VIQUGHKQIZNUNS-AJUCZRQESA-N 365.455 1.528 0 50 FDAA COc1cccc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)c1 82134807 YYVYFWJNDGRRIJ-FQEVSTJZSA-N 360.454 1.922 0 50 FDAA CCOc1ncccc1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1 223168312 SQYPTTWNNCMVJB-QZTJIDSGSA-N 372.421 1.939 0 50 FDAA CCn1nc(C)cc1S(=O)(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCCC1 220653188 WQIZMMLWJMGQJM-XLNGHYISSA-N 368.503 1.132 0 50 FDAA CN1CCN(c2nccc(-c3cnn(-c4ccccc4F)c3)n2)CC1=O 48257889 UWYNOIZAMJAZRK-UHFFFAOYSA-N 352.373 1.747 0 50 FDAA O=S(=O)(c1ccccc1)N(C1CC1)C1CCN(c2ncncn2)CC1 222578629 METVTEGMZHYDFH-UHFFFAOYSA-N 359.455 1.694 0 50 FDAA Cn1c(SCC(=O)NCCc2ccccc2)nnc1[C@@H]1CCCNC1 426361622 ALYWXMWJKGCOKM-OAHLLOKOSA-N 359.499 1.733 0 50 FDAA CSc1ccccc1C(=O)N[C@@H]1CCOC[C@H]1OCC(=O)N(C)C 222624434 BGBBFIDDPCJOFM-ZIAGYGMSSA-N 352.456 1.401 0 50 FDAA Cc1cc(CN2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)ccc1-n1cncn1 284755294 VWERMFSTKPYHMJ-AEFFLSMTSA-N 354.458 1.952 0 50 FDAA O=C(NCc1nc(-c2ncccn2)no1)[C@@H](c1cccnc1)N1CCCC1 95383268 WBQQKGIOASBPCS-OAHLLOKOSA-N 365.397 1.375 0 50 FDAA COc1c(F)cc(CN2C[C@H](C3CC3)[C@@H](NC(=O)CCO)C2)cc1F 91656052 CDLJHXXHBGUIEU-CJNGLKHVSA-N 354.397 1.682 0 50 FDAA O=C(C1CCC1)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc3[nH]nnc3c1)C2 95357483 MKDPAQRTCRKTRL-SWLSCSKDSA-N 353.426 1.821 0 50 FDAA COc1ccccc1C[C@H](C)N(C)C(=O)CN1C(=O)COc2cccnc21 95497313 KGFGKSJXLSZPES-AWEZNQCLSA-N 369.421 1.905 0 50 FDAA CS(=O)(=O)CCN1CCN(C(=O)C[C@@H]2CCc3ccccc32)CC1 91914806 FWEKXMDTLHQILE-INIZCTEOSA-N 350.484 1.295 0 50 FDAA Cc1ccc(CNC(=O)c2ccc3c(c2)nc(N2CC[C@H](O)C2)n3C)o1 95388957 XORLUGUICJDROF-AWEZNQCLSA-N 354.410 1.976 0 50 FDAA OCCO[C@H]1C[C@@H](O)C12CCN(Cc1nc3c(s1)CCCC3)CC2 91461247 MSSDXBUSYGQKLO-CVEARBPZSA-N 352.500 1.746 0 50 FDAA O=C(c1cccc(Cn2cccn2)c1)N1CCN(C2CCOCC2)CC1 91626174 HKQRZOGVICTDJC-UHFFFAOYSA-N 354.454 1.868 0 50 FDAA Cc1ccnn1CCC(=O)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)O)C1 96148291 OIQNZDOWRKVZFI-DNVCBOLYSA-N 355.394 1.671 0 50 FDAA COc1ccc(C)cc1NC(=O)N1CCC2(CC1)NC(=O)C[C@@H]2C(=O)O 95384204 JLHAFZZRFNQTLD-GFCCVEGCSA-N 361.398 1.591 0 50 FDAA COCC[C@]1(C(=O)O)CCCN(C(=O)c2scc3c2OCCO3)C1 92096918 CLRJKVSODCFUFP-MRXNPFEDSA-N 355.412 1.863 0 50 FDAA CNC(=O)Cn1cnc(NC(=O)[C@H]2CCN(c3ccccc3Cl)C2)n1 291452076 ISPQYOYYXLTZOE-NSHDSACASA-N 362.821 1.143 0 50 FDAA O=C(Cc1ccc(F)cc1)N[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1O 244626702 FQUYCCKAXAMLKT-QZTJIDSGSA-N 356.397 1.760 0 50 FDAA O=C(Cc1cc2c(cc1Cl)OCCO2)N1CC(N2CCOCC2)C1 244724696 MYZUFHQYAIQZTG-UHFFFAOYSA-N 352.818 1.197 0 50 FDAA CCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)CCc2n[nH]c3c2CCCC3)C1 252522953 BMSCZNXELAKYTF-BETUJISGSA-N 372.473 1.387 0 50 FDAA O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)NCc1cccnc1 253412689 RSTUNPSTUMFZRW-KRWDZBQOSA-N 364.405 1.349 0 50 FDAA biogenic Cc1cccc(NC(=O)CCN2CCN(c3nccnc3O)CC2)c1C 253536838 PPXAUWBHGRBKNG-UHFFFAOYSA-N 355.442 1.950 0 50 FDAA O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc(C(=O)O)nc1 299749200 JKVHMWJKMDOMAI-CYBMUJFWSA-N 359.769 1.969 0 50 FDAA O=C(Nc1ccnn1Cc1cccs1)N1Cc2cnn(CCO)c2C1 299786405 XDFVZEANDYXTJT-UHFFFAOYSA-N 358.427 1.729 0 50 FDAA Cc1nn(C)c(C)c1-c1cc(C(=O)NCCN2CCCOC2=O)n(C)n1 299797606 PKPKLRRZURJAKT-UHFFFAOYSA-N 360.418 1.010 0 50 FDAA Cn1c(C(=O)N2CC[C@H]3[C@H](C2)OCc2cnnn23)cc2cc(F)ccc21 299796659 PCSCBEQECJPFBP-RDJZCZTQSA-N 355.373 1.895 0 50 FDAA Cc1ccc(CN2CCC(CNC(=O)CSc3nncn3C)CC2)o1 299764884 VGXZADORWBDOBK-UHFFFAOYSA-N 363.487 1.837 0 50 FDAA Cc1nc(-c2ccc(C(=O)N(C[C@H]3CCC(=O)N3)C(C)C)cc2)nn1C 584903640 XGIWIRXNBZUMQN-MRXNPFEDSA-N 355.442 1.920 0 50 FDAA c1ccc2c(c1)CC(N1C[C@@H]3CC[C@H](C1)CN3CCCn1cnnn1)C2 1073244571 CGWGBQHJVDHTDE-LPHOPBHVSA-N 352.486 1.627 0 50 FDAA CCCc1ccc(S(=O)(=O)N[C@H]2CCOC[C@@H]2OCCN(C)C)cc1 1565510349 UTYIUZIRBNCPCL-ROUUACIJSA-N 370.515 1.653 0 50 FDAA Cn1ccnc(N2CCC[C@@H](Nc3ncncc3Br)C2)c1=O 275391883 APKVFYLVDWONBT-SNVBAGLBSA-N 365.235 1.414 0 50 FDAA CN(CC(N)=O)C[C@H]1CN(Cc2sccc2Br)CCO1 275565219 GPIQJXATRWXQEP-JTQLQIEISA-N 362.293 1.129 0 50 FDAA CCS(=O)(=O)c1ccc(NCC(C)(C)N2CCS(=O)CC2)cc1 276285681 IYUDKCYFMXRBFT-UHFFFAOYSA-N 358.529 1.735 0 50 FDAA Cn1cc(CCNC(=O)N2CCS(=O)(=O)CC2)c2ccc(Cl)cc21 189103101 VYCVVOPAIVZVBF-UHFFFAOYSA-N 369.874 1.814 0 50 FDAA CC1(C)CN(C(=O)[C@@H]2CCCCO2)CC2(CN(CC3CCOCC3)C2)O1 952894619 OMUKLSPNZVOFTO-KRWDZBQOSA-N 366.502 1.674 0 50 FDAA O=C(CCc1n[nH]c2c1CCCC2)NCc1nnnn1-c1ccccc1 1506411002 NOEUJIKLPHHBPV-UHFFFAOYSA-N 351.414 1.513 0 50 FDAA COCCc1noc([C@@H]2CCCCN2C(=O)CCc2csc(N)n2)n1 1506428937 ZQYFLTQRGSOCOH-LBPRGKRZSA-N 365.459 1.984 0 50 FDAA Cc1ccc(=O)n(CC(=O)N2CC[C@H]3[C@H](CCC(=O)N3CCC(C)C)C2)n1 216306195 SCJDBPYOUYDADJ-SJORKVTESA-N 374.485 1.437 0 50 FDAA COc1cc(C(=O)O)cc(C(=O)N2C[C@H](C(=O)O)C3(CCOCC3)C2)c1 1800410367 RULHPPUMUALIPM-CQSZACIVSA-N 363.366 1.347 0 50 FDAA CCCS(=O)(=O)c1ncc(CN(CC)CCO)n1C[C@H]1CCCO1 11936418 ACAPEZRZMMEJOW-OAHLLOKOSA-N 359.492 1.060 0 50 FDAA COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)NCc1ccccc1 12002634 IQDRZSAUMDSAEM-UHFFFAOYSA-N 374.418 1.827 0 50 FDAA CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C(=O)O)C2=CCC=CC2)cc1 407185 QMDBQVQYGMXFKS-OAHLLOKOSA-N 350.396 1.653 0 50 FDAA O=c1[nH]c2ccccc2c(=O)n1NS(=O)(=O)c1ccc2ccccc2c1 1144572 AUKDPQDBKQBTFB-UHFFFAOYSA-N 367.386 1.775 0 50 FDAA CCc1nnc(N2C[C@H](C(=O)N(CCO)Cc3ccccc3)CC2=O)s1 1857695331 DXQOVGXQJSBRGD-CQSZACIVSA-N 374.466 1.475 0 50 FDAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)c1nc3ncccn3n1)CC2 1857700816 ICEQNHGFMVWCKF-UHFFFAOYSA-N 373.420 1.766 0 50 FDAA COc1cnc(N2C[C@@H]3[C@H](CNC(=O)c4ccco4)[C@H]4CC[C@]3(C2)O4)nc1 1857718907 ZGCPSFCVGOQPDM-NRTGNBEESA-N 370.409 1.492 0 50 FDAA COc1cccc(-c2cc(C(=O)N[C@@H]3C[C@H]4CO[C@@H](C)CN4C3)n[nH]2)c1 1857719695 SXDKXZKEURDJIE-CFVMTHIKSA-N 356.426 1.677 0 50 FDAA COc1ccc(-n2cccn2)c(CN2C[C@@H]3OCCC(=O)N(C)[C@H]3C2)c1 1857719781 UGZXJAZIXIDKJC-ROUUACIJSA-N 356.426 1.312 0 50 FDAA C[C@@H](C(=O)N1CCC2(CC1)CNC(=O)CCO2)N1CCc2ccccc2C1 1857739468 LCLAAQDHYAJZND-INIZCTEOSA-N 371.481 1.331 0 50 FDAA CC(=O)c1cc(C(=O)N=c2[nH][nH]c3cc(N4CCNCC4)ccc23)cs1 1875243299 ZVEDKKLCAMSEBR-UHFFFAOYSA-N 369.450 1.911 0 50 FDAA CC(C)c1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(C2CCOCC2)C3)nc(N)n1 222340523 OINIHDVEMHPQKV-ZBFHGGJFSA-N 373.501 1.898 0 50 FDAA COc1ccccc1-n1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2CN)cn1 237111352 NDGBSEWHEGINHL-GXTWGEPZSA-N 350.444 1.287 0 50 FDAA CC(C)Cc1nc(C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)cs1 163392184 VGONJTBAAAHFGX-NWDGAFQWSA-N 359.517 1.789 0 50 FDAA CCC[C@]1(C(=O)O)CN(S(=O)(=O)c2ccc(C)cc2C)CC[C@H]1O 1704311539 AZQVZTMZMMYFGY-WBVHZDCISA-N 355.456 1.930 0 50 FDAA O=C1CC[C@H](C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)CN1 928122321 SFYHOCHXMZZJKV-RRFJBIMHSA-N 369.387 1.692 0 50 FDAA Cc1ccnc2nc(C(=O)NC[C@H](O)CO[C@@H](C)c3ccccc3)nn12 1875256291 DCEWFLORLBZPLT-ZFWWWQNUSA-N 355.398 1.301 0 50 FDAA Cc1ccc(NC(=O)NC(=O)CN2CCC(O)(c3ccnn3C)CC2)cc1 1875281439 BCUIKMAJEUMDMM-UHFFFAOYSA-N 371.441 1.360 0 50 FDAA CO[C@@H]1CN(c2cc[nH]c(=N)n2)C[C@@H]1Nc1ccnc2c(F)cccc12 1875399979 OCZHTSFSTKEHNE-LSDHHAIUSA-N 354.389 1.892 0 50 FDAA C[C@@H](NC(=O)c1nc(=O)n(C)[nH]1)c1cn(-c2ccc3ccccc3c2)nn1 1875338384 VWMKHKFSFILUML-LLVKDONJSA-N 363.381 1.333 0 50 FDAA CN=S1(=O)CCC2(CC1)CN(C(=O)c1nc[nH]c1C(C)(C)C)CCO2 1875396126 WGSLDDMSJQVOPF-UHFFFAOYSA-N 368.503 1.810 0 50 FDAA Cn1ccc([C@H]2CCCN(c3ccc(C(=O)N[C@H]4CCNC4)cn3)C2)n1 1875319104 YZBIALFADXVOSV-HOTGVXAUSA-N 354.458 1.291 0 50 FDAA O=C(Cc1n[nH]c2ccccc12)N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O 1875402507 ICFOJGJDOFTTKW-SSKCKEOISA-N 373.844 1.911 0 50 FDAA O=C(C[C@H]1NC(=O)c2ccccc21)N[C@H]1CCN(c2ccccc2F)C1=O 896326311 XVKYRDNHBRFBSO-JKSUJKDBSA-N 367.380 1.922 0 50 FDAA O=C(NCCn1c(O)nc2cc(Cl)ccc21)c1n[nH]c2c1CNCC2 2325856869 GQUKYCLLJHSVEV-UHFFFAOYSA-N 360.805 1.194 0 50 FDAA O=C([C@@H]1CCN(Cc2ccccc2)C1=O)N1CCC(c2nnc(O)o2)CC1 935830089 SQEXJOQQEGHKRG-HNNXBMFYSA-N 370.409 1.530 0 50 FDAA Cn1cnc2nc(N3CCN4C(=O)OC[C@]4(Cc4ccccc4)C3)ncc21 2356148657 KRFOXXCQNGXSNC-IBGZPJMESA-N 364.409 1.617 0 50 FDAA Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCNc1ccccc1F 9421459 DYJSCXIFKPKFHR-UHFFFAOYSA-N 356.361 1.236 0 50 FDAA O=C(C[C@@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1)Nc1ccccc1 9926928 MCHJPFAMWYEZSI-MRXNPFEDSA-N 355.369 1.795 0 50 FDAA Cc1cc(N(C)C)nc(NCCNS(=O)(=O)c2ccc(F)cc2F)n1 65362680 RYOREBYEZOIBCN-UHFFFAOYSA-N 371.413 1.520 0 50 FDAA Cc1ncsc1CCNC(=O)[C@@H]1CCC(=O)N(CCc2ccccn2)C1 20997084 NNTVGJRETVXERS-OAHLLOKOSA-N 372.494 1.987 0 50 FDAA CCn1nc(C(=O)O)c2c1CC[C@H](NCc1cccnc1-n1cncn1)C2 67650540 PTKISIBLTOLITQ-ZDUSSCGKSA-N 367.413 1.224 0 50 FDAA Cc1cccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CC4)n3CC2)n1 20110010 VWXGQNUVKREGGT-CQSZACIVSA-N 354.458 1.627 0 50 FDAA Cc1nc(CN2CCN(C(=O)CSc3nnc(N)s3)CC2)cs1 25926962 AFPPBZJXBWKZTE-UHFFFAOYSA-N 370.529 1.322 0 50 FDAA Cc1ncc2c(c1CNC[C@]1(O)CCCN(CC3CCC3)C1=O)CCNC2 67785996 GKTCRVFGBQZUNN-OAQYLSRUSA-N 372.513 1.279 0 50 FDAA COc1ccc(-c2n[nH]cc2CN2C[C@H](N)C[C@H]2C(=O)NC(C)C)cc1 67491390 DNICSBCRJPXRBX-WBVHZDCISA-N 357.458 1.512 0 50 FDAA COC(=O)c1cc(Br)c(=O)n(CCCS(C)(=O)=O)c1C 328593638 RQTYIZNQLTVDBV-UHFFFAOYSA-N 366.233 1.141 0 50 FDAA CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(NCCCNS(C)(=O)=O)ncn1 328622600 BJGYVLSIFAUVMK-BBRMVZONSA-N 371.507 1.443 0 50 FDAA CS(=O)(=O)N1CCO[C@@H](c2nnc(CCOc3ccc(F)cc3)o2)C1 328629495 IHTWMESMRJLSOZ-CYBMUJFWSA-N 371.390 1.163 0 50 FDAA O=C(CC[C@H]1CCOC1)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1 328616439 BRWKGNXKTISUSV-DOTOQJQBSA-N 360.458 1.793 0 50 FDAA CCOc1cccc(C(=O)N2CCN(c3cncc4nc(C)nn34)CC2)c1 435232794 OXOYLZQNUSKVBI-UHFFFAOYSA-N 366.425 1.794 0 50 FDAA CCO[C@@H](C)c1nc(CN2CCN(C(=O)c3c[nH]nn3)CC2)cs1 174430818 NENZPFIAASBBFY-NSHDSACASA-N 350.448 1.317 0 50 FDAA Cn1c(CO)nnc1C1CCN(C(=O)[C@H](O)c2cccc(Cl)c2)CC1 215078966 VHXNJYMVWAQXRW-OAHLLOKOSA-N 364.833 1.400 0 50 FDAA COC[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCC3)c2)C1 215448454 VHFWSUBXLWFFQH-CQSZACIVSA-N 352.456 1.580 0 50 FDAA O=C(NC[C@@H](c1ccncc1)N1CCOCC1)C1(N2CCCC2)CCCC1 215301847 IIOBXMDLXUXDRD-IBGZPJMESA-N 372.513 1.980 0 50 FDAA Cn1cccc1C(=O)C(=O)N1CCn2nc([C@H](O)c3ccccc3)cc2C1 219742301 NVMPPXOEBUCYTL-GOSISDBHSA-N 364.405 1.528 0 50 FDAA O=C1CCN(c2ccccc2C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)C(=O)N1 77298144 NMCANGUZVOGFMW-CYBMUJFWSA-N 367.409 1.876 0 50 FDAA CN(Cc1ccon1)C(=O)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71662927 MFEPVEOSZYHMKI-INIZCTEOSA-N 374.485 1.746 0 50 FDAA NC(=O)c1cccnc1N1CCC(N2CCC[C@H](C(=O)NC3CC3)C2)CC1 71748229 AEVKLPIANZOMBL-AWEZNQCLSA-N 371.485 1.140 0 50 FDAA COc1cc(C)c(S(=O)(=O)N2CCC(O)(C(=O)O)CC2)c(C)c1C 71755004 IEVQJRKKMSCOCE-UHFFFAOYSA-N 357.428 1.221 0 50 FDAA OCCOCCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 72149704 KTPGADVXBJVPAZ-NSISKUIASA-N 360.454 1.286 0 50 FDAA O=C(N[C@@H]1CCOC[C@H]1Oc1ccccn1)c1cccc2nccnc12 219325682 WTHBZUXWZWQEIR-GDBMZVCRSA-N 350.378 1.991 0 50 FDAA O=C1NC[C@@]2(CCCN(C(=O)c3cnc(Nc4ccccc4)nc3)C2)O1 72172676 XWTWUORCWOPVHQ-GOSISDBHSA-N 353.382 1.935 0 50 FDAA O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1CCCN(Cc2ccccc2)C1 363592064 JYUYJQOMIATNHW-HSALFYBXSA-N 357.498 1.878 0 50 FDAA O=C(CC[C@H]1NC(=O)NC1=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 363630714 YOMQXHYVOKABOW-BXUZGUMPSA-N 364.833 1.271 0 50 FDAA Cc1c(C(=O)N2C[C@@H](F)C[C@H]2CO)nnn1-c1cccc2cnccc12 364573100 AMQANADAUBTGFN-KBPBESRZSA-N 355.373 1.669 0 50 FDAA COc1ccc(NC(=O)CN2CCN(c3cnn(C)c3)CC2)cc1OC 174933218 CGKMAQFAPCBBAN-UHFFFAOYSA-N 359.430 1.198 0 50 FDAA CN1CC(=O)N(CC(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)C1=O 372321428 MADYTLYFFLZYBT-KRWDZBQOSA-N 356.357 1.320 0 50 FDAA CCCCN1CC[C@H]2N(CC(=O)Nc3cnn(C)c3)CCC[C@]2(CO)C1 72137335 PKUXZLVWMCKXRQ-IEBWSBKVSA-N 363.506 1.308 0 50 FDAA Cc1cc(N2CCC[C@@H](c3nnc(CN4CCOCC4)n3C)C2)ncn1 72410413 MYNNOCVGNYREKZ-OAHLLOKOSA-N 357.462 1.130 0 50 FDAA O=C(Cc1cccc(N2CCCC2=O)c1)N1CC[C@@H](N2CCOCC2)C1 377532945 CVFDSRKOKXUPMW-GOSISDBHSA-N 357.454 1.289 0 50 FDAA CCN(CC(=O)O)C1CC(NC(=O)NCCCc2nc3ccccc3[nH]2)C1 263077010 UJDMBBWCXMNWKN-UHFFFAOYSA-N 373.457 1.732 0 50 FDAA COc1ccc(C(=O)N2CCOC[C@@](O)(CN3CCCC3)C2)c(F)c1F 77540891 DXXAFMGKSQWCLZ-GOSISDBHSA-N 370.396 1.273 0 50 FDAA O=C1CN(c2ccc(C(=O)N3CCC[C@H](Cn4ccnc4)C3)cc2)C(=O)N1 77338324 GQCSTQKOIAOEIL-CQSZACIVSA-N 367.409 1.492 0 50 FDAA COc1ccc2[nH]cc(C(=O)NCC3(N(C)C)CCOCC3)c(=O)c2c1 222877156 KWFMYOFLTCVMKG-UHFFFAOYSA-N 359.426 1.377 0 50 FDAA COc1cc(C)ccc1S(=O)(=O)N[C@H](c1cnn(C)c1)C1CC(O)C1 220437536 IWLWEFFBIRSPNB-AJUCZRQESA-N 365.455 1.528 0 50 FDAA CNS(=O)(=O)c1ccc(CCC(=O)N(C)Cc2c[nH]nc2C)cc1 223917276 JNGIVMLMRYGXDA-UHFFFAOYSA-N 350.444 1.217 0 50 FDAA O=C(Cn1ccc([C@@H]2CCCNC2)n1)N1CCCN(C2CCCC2)CC1 426578893 XTQUEHWWNHYZGA-QGZVFWFLSA-N 359.518 1.827 0 50 FDAA O=C(CCc1nc(-c2ccccc2F)no1)N1CCN2C(=O)OC[C@@H]2C1 426648216 XJNJEABGYIVSBV-NSHDSACASA-N 360.345 1.471 0 50 FDAA CN1CCC[C@@H]1CCNC(=O)N1CCN(C(=O)COc2ccccc2)CC1 426440314 QMJMIQQIQBZGGD-QGZVFWFLSA-N 374.485 1.404 0 50 FDAA COc1cc(CN2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)ccc1F 95357297 HTTXLMMXUFASSH-ZDUSSCGKSA-N 350.390 1.732 0 50 FDAA CN1CCN2CCN(C(=O)Nc3cccc(-c4cnco4)c3)C[C@H]2C1=O 95513179 DXPPGXCKLCXMCD-HNNXBMFYSA-N 355.398 1.332 0 50 FDAA Cc1nc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C2CC2)n[nH]1 294532302 IXACMOCQUJSQOZ-SFHVURJKSA-N 366.381 1.193 0 50 FDAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Cn1c(=O)oc3ccccc31)C2 95528426 BGPLFGNBVYMERD-UONOGXRCSA-N 357.410 1.454 0 50 FDAA COc1ccc2c(C(=O)N[C@@H]3CCN(C)C3=O)cc(-c3cn[nH]c3)nc2c1 23541774 PTBCCQXSKDWEEZ-OAHLLOKOSA-N 365.393 1.594 0 50 FDAA CC1(C)CN(C(=O)c2ncc(F)cc2F)CC[C@@]1(O)CN1CCOCC1 92022530 RCOAHEQQBCDVNZ-GOSISDBHSA-N 369.412 1.295 0 50 FDAA Cc1nn(CC(=O)N[C@@H](C)c2cn3ncsc3n2)c(=O)c2ccccc12 91434602 BDVZGBHZUWVEQT-NSHDSACASA-N 368.422 1.687 0 50 FDAA CC[C@]1(C(=O)O)CCCN(Cc2ccc(CN(C)S(C)(=O)=O)o2)C1 91859244 BGUFUWYYGKWMRH-INIZCTEOSA-N 358.460 1.748 0 50 FDAA CC[C@H](O)Cn1nc(CCOC)nc1-c1ccc(-c2nnn(C)n2)cc1 96151274 IJMXIJNOBPEURD-AWEZNQCLSA-N 357.418 1.095 0 50 FDAA NC(=O)[C@@H]1CCCN(CCNC(=O)Nc2ccnn2-c2ccccc2)C1 96149559 OJIJKDPEWNAOQV-CQSZACIVSA-N 356.430 1.191 0 50 FDAA CN1CCCN(C[C@@H]2CN(C(=O)c3cc(F)ccc3F)C[C@@H]2CO)CC1 91914874 AOADCYVJQGMKQG-HUUCEWRRSA-N 367.440 1.283 0 50 FDAA Cn1ccnc1[C@@H]1CCCN(c2cc(C(=O)N3CCOCC3)ccn2)C1 95505193 JXIPRZFDYYNHPC-MRXNPFEDSA-N 355.442 1.672 0 50 FDAA Cn1nc(C2CC2)cc1NC(=O)N1CCNC(=O)[C@@H]1Cc1ccccc1 96139625 HRBYIRVNVXABKO-INIZCTEOSA-N 353.426 1.873 0 50 FDAA COCCCN1CC2(CCN(CC(=O)NCc3ccco3)CC2)CC1=O 95363080 ILGULEAXFWUFOE-UHFFFAOYSA-N 363.458 1.247 0 50 FDAA O=C(NCCOCc1ccccc1)[C@@]12CNC[C@@H]1CN(C1CCCC1)C2 96132537 ULCXWPJIDTUBSJ-WIYYLYMNSA-N 357.498 1.783 0 50 FDAA O=C(c1cccc(S(=O)(=O)N2CC(O)C2)c1)N1C[C@@H]2CCC[C@H]1C2 95392175 ZGEVQFZEGXMQPK-OCCSQVGLSA-N 350.440 1.066 0 50 FDAA CS(=O)(=O)[C@@H]1CCCC[C@@H]1NC[C@H](O)CN1CCc2ccccc2C1 182361459 LUJGLBXZBNZHOL-GBESFXJTSA-N 366.527 1.351 0 50 FDAA O=C1N[C@@H]2CCCC[C@H]2N[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 245241957 UWBQHZKARFQCON-KURKYZTESA-N 356.470 1.125 0 50 FDAA O=C(CN1CC2(CCCCC2)CC1=O)N1CCCO[C@@H](Cn2cccn2)C1 95506612 VRWCWEMUPWUFKK-QGZVFWFLSA-N 374.485 1.683 0 50 FDAA O=C(C[C@H]1NC(=O)c2ccccc21)NC1CCN(c2cnccn2)CC1 299777353 NIDCTAQGMWPURB-MRXNPFEDSA-N 351.410 1.436 0 50 FDAA COc1ccc(C2(C(=O)N3CC[C@H]4[C@H](C3)OCc3cnnn34)CC2)cc1 299784162 HYKLAHFKPVFHBK-IRXDYDNUSA-N 354.410 1.691 0 50 FDAA CCN(Cc1noc(C)n1)C(=O)c1cccc(-c2nc(OC)n(C)n2)c1 299795353 KRBCCZLDIKWNMG-UHFFFAOYSA-N 356.386 1.844 0 50 FDAA Cc1nc(CN2CC[C@@H](NC(=O)CCC(F)(F)F)[C@H](O)C2)cs1 299764042 JPLPVIUKGXNCOM-VXGBXAGGSA-N 351.394 1.845 0 50 FDAA CCCN1C[C@H](NC(=O)CCCc2nc(-c3cccnc3)no2)CC1=O 822919178 JZBHTLDCIHGSHZ-CQSZACIVSA-N 357.414 1.581 0 50 FDAA CCCOc1ccccc1CCCNC(=O)N1CCS(=O)(=O)CC1 584884202 AQMATTVCCPRALM-UHFFFAOYSA-N 354.472 1.848 0 50 FDAA CC1(C)NC(=O)N(CC(=O)N[C@H]2CCCN(Cc3cccs3)C2)C1=O 670461005 YRQODWVWHDLTHA-LBPRGKRZSA-N 364.471 1.159 0 50 FDAA C=CC(=O)N1CCN(C(=O)c2nn(CC)c(=O)c3ccccc23)[C@@H](C)C1 1875381152 LSGRSSGMZASEQE-ZDUSSCGKSA-N 354.410 1.275 0 50 FDAA C=CC(=O)NCC[C@@H]1[C@H](C)CCCN1C(=O)Cn1nnc2c1CCCC2 1875386647 WBZHMFKSCGSDQN-GDBMZVCRSA-N 359.474 1.476 0 50 FDAA CN(Cc1ccccc1)C[C@@H](O)CN1CCC(c2cc(C(=O)O)n[nH]2)CC1 1875310024 ZVTOHCMFPWTXIY-QGZVFWFLSA-N 372.469 1.780 0 50 FDAA CC(C)Cn1ccc(=NC(=O)C(=O)N2CCO[C@@H](c3ccccc3)CC2)[nH]1 1875300928 WFEPYPWBBMZUKS-QGZVFWFLSA-N 370.453 1.890 0 50 FDAA CN1C[C@H](c2ccnc(N3CCCC3)n2)C2(C1)CN(C(=O)CCCF)C2 1875395775 LOMRWTUQUJJXMQ-OAHLLOKOSA-N 361.465 1.684 0 50 FDAA Cn1cc(CCN2CC[C@@]3(CCN(C(=O)[C@]4(F)CCOC4)C3)C2)cn1 1875406652 JDGYFOLZUUBQPM-MSOLQXFVSA-N 350.438 1.016 0 50 FDAA CCc1nc(C)sc1C(=O)N[C@H]1CCN(C(=O)c2ccccn2)C[C@@H]1O 1565505991 OFNCGVMKLOVAOO-ZFWWWQNUSA-N 374.466 1.414 0 50 FDAA Cc1ccc([C@H]2CN(C(=O)CCn3ccc(O)nc3=O)C[C@@H]2N(C)C)cc1 1565507208 KSCXSLVKDZDMIQ-SJORKVTESA-N 370.453 1.204 0 50 FDAA Cc1cc(C)cc(S(=O)(=O)N2CCC[C@H](CN3CCN(C)CC3)C2)c1 952975410 DSPMLGFFQSTRLS-GOSISDBHSA-N 365.543 1.952 0 50 FDAA Cc1nc(N(C)C)ncc1C(=O)Nc1ccc2c(c1)N(C)C(=O)[C@H](C)O2 952974132 LGUNHEQHWIIAEC-NSHDSACASA-N 355.398 1.847 0 50 FDAA CC(=O)NCc1cc(O[C@H]2CCN(Cc3nnc(C(C)C)n3C)C2)ccn1 886072118 SNJZKCUGGCONGU-KRWDZBQOSA-N 372.473 1.623 0 50 FDAA COCCOc1ccc(NS(=O)(=O)c2cn3c(n2)CCCC3)cn1 170593365 AEBVGBLZQBFRKD-UHFFFAOYSA-N 352.416 1.440 0 50 FDAA COC(=O)c1c(OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)ccn1C 225825877 ICTVZAHXVWNLIC-UHFFFAOYSA-N 371.393 1.721 0 50 FDAA O=C(c1ccncc1)N1CCC(N2CC[C@@H]3OCc4cnnn4[C@@H]3C2)CC1 1076096058 GRENXWKJBLARMH-MSOLQXFVSA-N 368.441 1.124 0 50 FDAA C=CC(=O)Nc1cc(NC(=O)c2ccc(S(N)(=O)=O)o2)ccc1F 758282157 PRLRIRUSGVEBHN-UHFFFAOYSA-N 353.331 1.443 0 50 FDAA CNc1nc(C(N)=O)c(NC(=O)[C@H]2CCCN(c3ccccn3)C2)s1 1529100812 ZULOSVLHAFQDAI-JTQLQIEISA-N 360.443 1.534 0 50 FDAA Nc1nc2c(c(C(=O)N[C@@H]3COC[C@H]3Cc3ccncc3)n1)CCCC2 1704306925 XWQWJWZHBYIXBR-CZUORRHYSA-N 353.426 1.320 0 50 FDAA O=C(C1CC1)N1CC[C@@H]2N(C(=O)CCc3ccncc3)CCC[C@@]2(CO)C1 215301163 GJPKHTGCABAXGE-RXVVDRJESA-N 371.481 1.626 0 50 FDAA COc1ccnc(CN2CCCN(C(=O)c3cc(C)on3)CC2)c1OC 1772709898 JOVXQJJPJPKHBQ-UHFFFAOYSA-N 360.414 1.743 0 50 FDAA NC(=O)NCC(=O)N1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2)C1 12467607 HOQOOVKPLLPYPL-GOSISDBHSA-N 366.412 1.448 0 50 FDAA Cn1cc(/C=C/C(=O)N2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)cn1 12718664 LNPQORTUJFVDEI-FZMUQLTDSA-N 374.485 1.747 0 50 FDAA CCN1CCN(C2(C(=O)NCC(C)(C)CO)Cc3ccccc3C2)CC1 19607673 YZMTUXNPSJFBAQ-UHFFFAOYSA-N 359.514 1.296 0 50 FDAA CC(C)(C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 3189832 BWVKPZHEJNXHTI-UHFFFAOYSA-N 356.444 1.001 0 50 FDAA CCc1nc([C@@H]2CN(C(=O)c3cccc(N(C)C)c3)Cc3c[nH]nc32)n[nH]1 1857528396 SEIISJZTCRQFSN-OAHLLOKOSA-N 365.441 1.944 0 50 FDAA COc1cccc(N2CCN([C@H]3CCOC4(CCNCC4)C3)CC2=O)c1 1857673233 QAARONXFAXUCCA-KRWDZBQOSA-N 359.470 1.645 0 50 FDAA Cc1cc(=O)c2ccccc2n1CC(=O)N1CCc2[nH]nc(C(=O)O)c2C1 1857676405 RZUYJKLEMUNRRQ-UHFFFAOYSA-N 366.377 1.316 0 50 FDAA O=C(C1CCCC1)N1CCC[C@]2(C1)CN(c1ncc(F)cn1)CC[C@H]2O 1857691317 GGHUVYOXLPOSNQ-APWZRJJASA-N 362.449 1.986 0 50 FDAA CCN1C[C@H](C(=O)N2CCc3c(-c4ccccc4)nn(C)c3CC2)CC1=O 1857707477 AAUYDSSXVZLVBL-MRXNPFEDSA-N 366.465 1.883 0 50 FDAA O=C(Cc1noc2ccccc12)N1CCC([C@@H](O)CN2CCOCC2)CC1 1857719078 DKROJFDWZXGKQB-SFHVURJKSA-N 373.453 1.302 0 50 FDAA Cc1ccc2oc(N3CCC(C(=O)NCCc4nccn4C)CC3)nc2n1 1857721329 KFZRBIMYMBIQPX-UHFFFAOYSA-N 368.441 1.840 0 50 FDAA C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2C[C@@H](CO)[C@@H](c3ccsc3)C2)C1 328612564 PEPXBWUDTSNEFN-LQKXBSAESA-N 358.529 1.979 0 50 FDAA CS(=O)(=O)CC(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 330643236 XWTNDVPATQMRKO-SNVBAGLBSA-N 352.334 1.125 0 50 FDAA Cn1cc(C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)c([C@@H]2CCOC2)n1 333205945 BVSUJYPGYHOPSY-RHSMWYFYSA-N 357.410 1.843 0 50 FDAA O=C(c1cn(CCCNCc2ccc(Cl)cc2)nn1)N1CCOCC1 15072601 WUYQJAJBMSZSCJ-UHFFFAOYSA-N 363.849 1.584 0 50 FDAA O=C1C[C@@H](c2ccc(S(=O)(=O)NCCOc3ccccc3)cc2)CN1 2873194 QIUCVZXTPOPKTJ-OAHLLOKOSA-N 360.435 1.647 0 50 FDAA Cc1ccc(N(CC(=O)NC[C@H]2CCCO2)S(C)(=O)=O)cc1Cl 880290 MMFOAQCAKIIQEK-CYBMUJFWSA-N 360.863 1.710 0 50 FDAA C[C@]1(O)CC2(CCN(C(=O)c3ccccc3OC(F)F)CC2)OC[C@@H]1O 2356139449 XUHKDSSBONENLC-YOEHRIQHSA-N 371.380 1.795 0 50 FDAA CC(=O)N1CCc2cc(S(=O)(=O)NCCCN3CCCCC3)ccc21 4969002 UCGONFOWKAXWQU-UHFFFAOYSA-N 365.499 1.750 0 50 FDAA Fc1cnc(NCCCc2nnc3ccccn23)nc1N1CCOCC1 65489204 MYHPYGQXRDFRGX-UHFFFAOYSA-N 357.393 1.540 0 50 FDAA CC(C)O[C@H]1CN(C(=O)c2ccc(CSc3ncn[nH]3)o2)C[C@@H]1O 65425055 XQIJGWQAJCCHSE-AAEUAGOBSA-N 352.416 1.300 0 50 FDAA COc1ccccc1NC(=O)Cn1nc(N2CCSCC2)ccc1=O 67630326 FCRBEGXKIKWGNK-UHFFFAOYSA-N 360.439 1.444 0 50 FDAA CNS(=O)(=O)c1ccc([C@@H]2CC(=O)Nc3cc4oc(=O)[nH]c4cc32)cc1 67696806 HWXQZXDSHWSYBJ-NSHDSACASA-N 373.390 1.503 0 50 FDAA O=C(COc1cccc(N2CCCC2=O)c1)N1CCC(n2cncn2)CC1 120414398 LYFSJWKDXRRBNW-UHFFFAOYSA-N 369.425 1.647 0 50 FDAA CC(C)c1nc(C2CCN(C(=O)[C@@H]3COCCN3CC(F)F)CC2)no1 329083595 FIIDJATVUZXUMZ-ZDUSSCGKSA-N 372.416 1.865 0 50 FDAA CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cc2c([nH]c1=O)CCCC2 68077681 NHBOIAIZDIVDFY-UHFFFAOYSA-N 370.434 1.824 0 50 FDAA Cc1ccccc1C(=O)NCC(=O)N1CCC(CN2CCCCC2=O)CC1 125116350 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353.488 1.997 0 50 FDAA CCN1C[C@@H](CN(C)Cc2cnc(S(C)(=O)=O)n2CC(C)C)CC1=O 12446443 YWHRNEMXIGLBMZ-CQSZACIVSA-N 370.519 1.243 0 50 FDAA COc1cccc(C(=O)N2CCN(Cc3nc(CC4CC4)no3)CC2)c1 19223496 GTYYSJNXUSKUBP-UHFFFAOYSA-N 356.426 1.989 0 50 FDAA O=C(c1ccc2c(c1)CCO2)N1C[C@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857718037 LJUITJZPDHWAQL-UGGKCQTMSA-N 365.429 1.831 0 50 FDAA Cc1nc(Cc2ccc(NC(=O)[C@H]3CC[C@H]4OCCN[C@@H]4C3)cc2)n[nH]1 1857732366 NIHAOYUJWPEGLX-USXIJHARSA-N 355.442 1.800 0 50 FDAA CN1CCc2nc(CNC(=O)c3ccc4sc(=N)[nH]c4c3)ncc2C1 1857734448 JSJAVGFYBNDIIR-UHFFFAOYSA-N 354.439 1.417 0 50 FDAA CCC[C@@]1(CO)CN(C(=O)CCNC(=O)c2ccc(F)cc2)CC[C@H]1O 1857736483 QQYJPZHPAQPFQW-APWZRJJASA-N 366.433 1.318 0 50 FDAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccc3c(c1)CCC3)C2 213020934 JKANIKVQZARTHW-MSOLQXFVSA-N 369.465 1.327 0 50 FDAA Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)nc1 12543733 IGZHOLSFHOTFMY-UHFFFAOYSA-N 361.423 1.663 0 50 FDAA CC[C@@H](CNC(=O)C(F)(F)c1ccccc1OCC(=O)N(C)C)OC 812369848 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362.455 1.935 0 50 FDAA CCN1CCc2nc3ccccc3c(C(=O)NC[C@]3(O)CCOC3)c2C1 178945428 BAQYWFKNPMCNRP-HXUWFJFHSA-N 355.438 1.494 0 50 FDAA CCOc1cccc(C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)c1 299119986 KXNIOTJXHZWBGY-UHFFFAOYSA-N 359.470 1.856 0 50 FDAA Cc1c(C(=O)N2CC[C@H]3[C@H](C2)OCc2cnnn23)cnn1-c1ccccn1 299799879 UYAQEBYOUCOOGV-HOTGVXAUSA-N 365.397 1.153 0 50 FDAA CCNC(=O)[C@@H]1CCN(C(=O)c2cccc(-c3nc(N(C)C)n(C)n3)c2)C1 299796893 ODQXQHWTRKFQAH-OAHLLOKOSA-N 370.457 1.146 0 50 FDAA CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)NCCCSCc2ccco2)[C@@H]3C1=O 299790128 ARTJVBXCTFAJDW-AFIMGQEJSA-N 362.451 1.431 0 50 FDAA Cc1nc(CN2CCN(C)[C@@]3(CCC(=O)N(CC4CC4)CC3)C2)n(C)n1 825273233 GWLOBXRVMSAXBH-LJQANCHMSA-N 360.506 1.032 0 50 FDAA NC(=O)COc1cccc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CC2)c1 1565515283 WZQQDXSWXTYTQD-SJORKVTESA-N 357.454 1.384 0 50 FDAA CC(=O)N1CC[C@H](NC(=O)c2oc(COc3ccccc3)cc2C)[C@@H](O)C1 1565513220 LYYVMSHJSBHBLM-ROUUACIJSA-N 372.421 1.879 0 50 FDAA O=S1(=O)C[C@@H]2[C@H](C1)N(c1ncccn1)CCN2CCc1ccccc1 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O=C(c1cccnc1N1C[C@@H](O)[C@H](Cc2cnccn2)C1)N1CCCC1 1704301368 WPKHJZVIQCUTJB-RHSMWYFYSA-N 353.426 1.147 0 50 FDAA CCOC(=O)C1CCN(C[C@@]2(O)CCCN(CC3CCC3)C2=O)CC1 11934837 INHBVYDVAITMMM-IBGZPJMESA-N 352.475 1.415 0 50 FDAA CCN1CCN(c2nc3nonc3nc2NCc2cccs2)[C@@H](C)C1=O 12385974 ZLZMGKXWFMVGRU-JTQLQIEISA-N 373.442 1.743 0 50 FDAA CC(C)[C@@H]1NC(=O)[C@@H]2C[C@H](NCc3cccc4ncccc34)CN2C1=O 14538167 HCFSLBZBYBZPKL-WBAXXEDZSA-N 352.438 1.448 0 50 FDAA COc1cc(CNCC(C)C)ccc1OC[C@H](O)CN1CCOCC1 15073205 IPDAELQUWZMEJY-QGZVFWFLSA-N 352.475 1.513 0 50 FDAA CCOC(=O)C1CCN(C(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1 18125451 ZUQUJYQQXXQSBR-HUUCEWRRSA-N 362.426 1.129 0 50 FDAA Cc1n[nH]cc1C(=O)N1CCC[C@H](Cn2cc(-c3ccccn3)nn2)C1 19608036 OGADCZGKULEENT-AWEZNQCLSA-N 351.414 1.924 0 50 FDAA O=C(N[C@H](CO)c1ccccc1)[C@H]1CC(=O)N(CCc2ccccc2)C1 155583582 ZKYSJGFXDJHNDB-RBUKOAKNSA-N 352.434 1.927 0 50 FDAA CN(CC(=O)N1CCc2c(Cl)cccc2C1)[C@H]1CCS(=O)(=O)C1 155717507 KGOWMKMPKQVQSN-ZDUSSCGKSA-N 356.875 1.344 0 50 FDAA 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356.430 1.219 0 50 FDAA CCn1nnc(C)c1C(=O)N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952848282 JEBNIVOZTBOQPY-KGLIPLIRSA-N 355.446 1.868 0 50 FDAA Cc1nnc2n1C[C@H](CN(C)C)N(C(=O)Cc1ccc3c(c1)COC3)C2 952849267 VEFVEUOCEMXASD-KRWDZBQOSA-N 355.442 1.132 0 50 FDAA COc1cncc(-c2cn(CC(=O)NC3CCN(C(C)C)CC3)nn2)c1 1875290900 HRPSZXNOVHLRJO-UHFFFAOYSA-N 358.446 1.338 0 50 FDAA O=S(=O)(C1CCC(F)(F)CC1)N1CCC(N2CCOCC2)CC1 1875290467 JHCWBZGMYXQUPM-UHFFFAOYSA-N 352.447 1.691 0 50 FDAA CNC(=O)COc1ccccc1CN[C@@H](CO)Cc1c[nH]c2ccccc12 1875270132 YZHHUIOFMVVBSM-QGZVFWFLSA-N 367.449 1.986 0 50 FDAA CCOC(=O)[C@@H]1[C@H](c2ccccc2)N2NC(C(F)(F)F)=NC2=N[C@]1(C)O 1875254363 YNFRQJRAVBHZEK-ZIBATOQPSA-N 370.331 1.766 0 50 FDAA C[C@@H](O)C[C@@H](NC(=O)C1(c2cccc(OC(F)(F)F)c2)CC1)C(=O)O 1875313282 JJLGVROMNFFZCM-BXKDBHETSA-N 361.316 1.957 0 50 FDAA CCc1nc(=NCC2(O)CCN(C(=O)c3cccs3)CC2)s[nH]1 1875303453 YKOFKUNYEIDGEW-UHFFFAOYSA-N 352.485 1.663 0 50 FDAA CCN=c1cc(-c2cn(CCC(=O)NCc3ccccc3)nn2)cc[nH]1 1875318827 VYKGTZLEEYTNND-UHFFFAOYSA-N 350.426 1.900 0 50 FDAA CCc1nonc1C(=O)N1CCC[C@H](NC(=O)CC2CC(F)C2)[C@@H]1C 1875407270 WKGIXSKOQODRNU-BBCYWQGDSA-N 352.410 1.880 0 50 FDAA O=C1CCc2cc(CC(=O)N[C@@H]3C[C@H](Cn4cccn4)C[C@H]3O)ccc2N1 1875400722 JMDSGUMOVJIOHY-BMGDILEWSA-N 368.437 1.266 0 50 FDAA Cn1cnnc1C[C@]1(O)CCCN(C(=O)Cc2noc3ccccc23)C1 886094887 GFRCAVQKGQYSIK-GOSISDBHSA-N 355.398 1.095 0 50 FDAA Cn1cnnc1C[C@@]1(O)CCCN(Cc2nc(-c3ccccc3)no2)C1 888076808 GSENAGSIEPTUNG-SFHVURJKSA-N 354.414 1.435 0 50 FDAA O=C(NCCc1cccc2[nH]ccc12)c1coc(CN2CC[C@@H](O)C2)n1 888094775 CHPMKUZYTJPCNF-CQSZACIVSA-N 354.410 1.695 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1ccncc1-n1cccn1 2325785998 XRNFLBSEBOKEFB-FRFSOERESA-N 352.398 1.033 0 50 FDAA Cn1[nH]c(=NC(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)cc1C1CCCC1 2325795929 GHCLVVPOFNPJHM-JTQLQIEISA-N 359.257 1.748 0 50 FDAA CN1CCc2cc(C(=O)Nc3ccc(-n4ncn(C)c4=O)cc3)sc2C1 2325798208 WFCMMVSMTSAOHI-UHFFFAOYSA-N 369.450 1.873 0 50 FDAA C[C@H]1Cn2nc(C(=O)N=c3ccn(-c4ccc(Cl)cc4)[nH]3)cc2CN1 2325857959 VXODNJMWHSHZGX-NSHDSACASA-N 356.817 1.888 0 50 FDAA Cn1cc(N2CCC[C@H](NC(=O)c3c(Cl)n[nH]c3C3CC3)C2=O)cn1 866061484 OEOBBEAUNKYKOP-NSHDSACASA-N 362.821 1.599 0 50 FDAA COC(=O)COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1Cl 810070 ARAGXCNZWNTBCU-JTQLQIEISA-N 363.819 1.349 0 50 FDAA OCC[C@@H]1CN(c2ncnc3[nH]cnc23)CCN1Cc1ccccc1F 106986946 XYMLRXYJZTUFCE-CQSZACIVSA-N 356.405 1.565 0 50 FDAA C[C@H](NC(=O)CSc1nnnn1C[C@H]1CCCO1)[C@H]1C[C@H]2CC[C@H]1C2 248376689 DIECMOVIMYFRFO-BTFPBAQTSA-N 365.503 1.885 0 50 FDAA CN(Cc1cnc(N)nc1)Cc1cccc(C(=O)Nc2ncns2)c1 67774449 QNOKPDCCYVPUMI-UHFFFAOYSA-N 355.427 1.795 0 50 FDAA O=C(N1CCOCC1)N1CCN(C2CCC3(CCNCC3)CC2)CC1 67847457 IOOOFKVQQNSWJD-UHFFFAOYSA-N 350.507 1.369 0 50 FDAA O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl 120632660 TXUUOKGGXLKBNN-ZWNOBZJWSA-N 360.838 1.182 0 50 FDAA O=C(C[C@@H]1CCCS(=O)(=O)C1)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 329197574 VIKYUJSWNXPDPO-RCBQFDQVSA-N 355.431 1.675 0 50 FDAA COc1ccc(C(=O)N2CCCCCC2)cc1NCC(=O)N1CCN=C1O 329531459 JJFWAMGQJZYHGB-UHFFFAOYSA-N 374.441 1.880 0 50 FDAA CCOC(=O)N[C@H]1C[C@@H](C(=O)NCCc2cccc(Cl)c2)N(C)C1 67872385 KLPYTSMWKQHQMQ-GJZGRUSLSA-N 353.850 1.818 0 50 FDAA C[C@H](NC(=O)c1cc(-c2cccs2)nn1C)c1nnc2n1CCNCC2 67672953 JNJMSVVTONNJQX-NSHDSACASA-N 371.470 1.377 0 50 FDAA Cc1ccccc1[C@@H]1CCN(CCNC2CCN(S(C)(=O)=O)CC2)C1 67920274 BCJDAGKALMUHIG-QGZVFWFLSA-N 365.543 1.798 0 50 FDAA Cn1cc([C@@H]2OCC[C@H]2NC(=O)[C@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)cn1 333249445 GLOVDVZORWWJAP-UQPQVDFHSA-N 359.348 1.722 0 50 FDAA Cc1nc2c(c(N(C)C)n1)CCN(C(=O)c1cnc(C(C)C)[nH]c1=O)C2 71774816 IZWWQILZMJHRIL-UHFFFAOYSA-N 356.430 1.256 0 50 FDAA COc1ccc(C(=O)N2CCCN(Cc3cccnc3)CC2)c(OC)n1 77458409 DGEIWGOZGICIAP-UHFFFAOYSA-N 356.426 1.842 0 50 FDAA O=C(NCCS(=O)(=O)N1CCCC1)c1cccc([C@@H]2CCCNC2)c1 215682899 DTJBQYFGTAFDQP-QGZVFWFLSA-N 365.499 1.309 0 50 FDAA CC(C)c1cc(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)nc2ncnn12 216170753 JTXDGONSQQSTBK-CYBMUJFWSA-N 366.429 1.437 0 50 FDAA CC(C)CNS(=O)(=O)CCCCS(=O)(=O)N(C)c1ccccc1 253423155 RBPKBLLLGLRJIX-UHFFFAOYSA-N 362.517 1.808 0 50 FDAA Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NOCc1cccnc1 155916774 YIQPIQMUTKNXFC-MRXNPFEDSA-N 356.361 1.547 0 50 FDAA CCC(=O)N1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccccc2OC)CC1 77386931 MIKMUSAYDCDWJV-MRXNPFEDSA-N 373.453 1.381 0 50 FDAA O=C(O)C1(n2ccnc2)CCN(S(=O)(=O)c2cccc(F)c2)CC1 72447084 ZHWJRVHRISLMER-UHFFFAOYSA-N 353.375 1.287 0 50 FDAA Cc1c(-c2cc(C(=O)N[C@H]3CCOC4(CCOCC4)C3)no2)cnn1C 77453264 YSJDDYKTMBRPPD-ZDUSSCGKSA-N 360.414 1.842 0 50 FDAA COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](C)NC(=O)Nc1ccccc1 363846969 LZAPOHZTKRQZKM-JSGCOSHPSA-N 372.429 1.586 0 50 FDAA Cc1cc(C(=O)N2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)on1 71752731 DJANHBFVAPMPTJ-UHFFFAOYSA-N 367.409 1.936 0 50 FDAA Cc1cnccc1OC1CCN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)CC1 365367146 UOAMRCPWSBJYFY-UNEWFSDZSA-N 372.469 1.952 0 50 FDAA CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CC[C@H]4[C@H](CCCN4C)C3)ccc21 155397612 SYIZPUPSZNLFTP-ZBFHGGJFSA-N 370.453 1.266 0 50 FDAA Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC[C@@H]1CCN1CCOCC1 77375767 VDDMOUWDYPBCOF-MRXNPFEDSA-N 370.519 1.302 0 50 FDAA O=C(C[C@H]1COCCN1C(=O)Cn1ccc(=O)cc1)Nc1cccc(F)c1 72463422 BBRWOGSTMRNENA-INIZCTEOSA-N 373.384 1.244 0 50 FDAA Nc1nc(Cl)cc(N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)n1 377142414 QJFHAYSMTIICER-WDEREUQCSA-N 359.817 1.853 0 50 FDAA C[C@H](C1CCN(C(=O)c2n[nH]c3c2CCCC3)CC1)N1CCN(C)CC1 77524428 NGCNSVBAGXKNRX-OAHLLOKOSA-N 359.518 1.777 0 50 FDAA CCOC(=O)C[C@H]1CCCCN1C(=O)c1cnn2cc(CCO)cnc12 72436752 YQYBPBSANPDFJS-CQSZACIVSA-N 360.414 1.212 0 50 FDAA CCCN1CCN(C(=O)c2ccc(C)c(O)c2)[C@H]2CS(=O)(=O)C[C@H]21 72424821 LWOZSOKDDIEISF-CABCVRRESA-N 352.456 1.034 0 50 FDAA CC(C)c1cc(C(=O)NC2CCN(C(=O)N3CCOCC3)CC2)no1 82127367 XLQGVISOSUFZDY-UHFFFAOYSA-N 350.419 1.444 0 50 FDAA CS(=O)(=O)NC1CCN(C(=O)Cc2ccccc2C(F)(F)F)CC1 222438853 VMKBBUHNRCGSMX-UHFFFAOYSA-N 364.389 1.788 0 50 FDAA O=C(CCN1Cc2ccccc2C1=O)N[C@@H]1COCC[C@@H]1OCC1CC1 223193202 OCEGCOHQBSTSHC-MSOLQXFVSA-N 358.438 1.733 0 50 FDAA Cc1nc(CC(=O)N[C@@H]2CCN(C(=O)c3ccccc3)C[C@H]2O)cs1 426550677 SJBAKLYSMUEBRJ-HZPDHXFCSA-N 359.451 1.386 0 50 FDAA CC(=O)c1c(C)nn(CC(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)c1C 82087931 IQUCHXVRPDTBOB-UHFFFAOYSA-N 368.437 1.886 0 50 FDAA CC(=O)N1CCCN(C(=O)c2cccc(-c3c(C)nc(O)nc3O)c2)CC1 426491603 XCBSXYIPPZKCOR-UHFFFAOYSA-N 370.409 1.558 0 50 FDAA O=C(Cn1ccc(=O)c2ccccc21)NCCc1noc(C(F)(F)F)n1 221446557 MSTCHCAZLMGMTI-UHFFFAOYSA-N 366.299 1.762 0 50 FDAA Cn1ccnc1SCCNC(=O)N1CCC2(CC1)OCCC[C@H]2O 426359447 DYMNKSZUGGGYLL-CYBMUJFWSA-N 354.476 1.228 0 50 FDAA COCc1n[nH]c([C@H]2CCCCN2C(=O)c2csc(COC)n2)n1 292592951 HHMYWOUZKJELLY-LLVKDONJSA-N 351.432 1.921 0 50 FDAA CC(=O)NCc1cc2n(n1)CCN(C(=O)CSc1nc(C)cs1)C2 426387260 JYXLOCGGTVCKKO-UHFFFAOYSA-N 365.484 1.419 0 50 FDAA Cc1nc(CCNC(=O)c2cnc(C(C)(C)C)[nH]c2=O)nc2c1CCC2 82166471 QLUUZMCTJMFNKQ-UHFFFAOYSA-N 355.442 1.627 0 50 FDAA Cc1cc(-c2cccc(C(=O)NCC3(O)CCN(C)CC3)c2)cnc1N 426668943 DXYSNHXCTRXTHU-UHFFFAOYSA-N 354.454 1.826 0 50 FDAA Cc1cc(C(F)(F)F)n2ncc(C(=O)NCCc3cnccn3)c2n1 426518997 QCFFSDKGKWFEAE-UHFFFAOYSA-N 350.304 1.819 0 50 FDAA Cc1c(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccncc3)C2)cnc2ccnn12 91873414 LTZZNOCULMIWMP-LSDHHAIUSA-N 351.366 1.373 0 50 FDAA CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)cc1 239164889 NCCWJIKLDMTYLD-JOCQHMNTSA-N 354.428 1.814 0 50 FDAA CN(C)CC(=O)N1CCC(c2nnc(CN3CCCCCC3)n2C)CC1 91518764 KLRIXDNRWPMYQJ-UHFFFAOYSA-N 362.522 1.459 0 50 FDAA CN1C(=O)[C@H](CC(=O)N2CCC(Cc3ccccc3F)CC2)N(C)C1=O 91493969 GVBIZDQDEHSNNI-INIZCTEOSA-N 361.417 1.889 0 50 FDAA CCOc1ccc(CC(=O)N2C[C@H](CO)[C@H](CN3CCOCC3)C2)cc1 91492940 XMTDUJGUQVKMDQ-QZTJIDSGSA-N 362.470 1.027 0 50 FDAA O=C(O)CCN1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 238161913 KZRWQBBPLIDFRC-UHFFFAOYSA-N 352.865 1.573 0 50 FDAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCCn1ccnc1)C2 92037298 VAILJALPBZEVGK-JKSUJKDBSA-N 368.441 1.217 0 50 FDAA CCCCc1c(C)nc(N)nc1N1CC[C@@]2(O)CCN(C(C)=O)C[C@H]2C1 95385001 QMHADOZIIFWWQC-KXBFYZLASA-N 361.490 1.519 0 50 FDAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2ccncc2)CN1Cc1ccc(C)s1 92004094 STCWPKCCQLGDEQ-WBVHZDCISA-N 372.494 1.961 0 50 FDAA CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccc(C)cc2O)CN1C(C)=O 96152963 PFPGCQIBLPJBHN-HOCLYGCPSA-N 361.442 1.288 0 50 FDAA CN1C(=O)[C@H](CC(=O)N2CCC3(C=Cc4ccccc43)CC2)N(C)C1=O 97301356 RYPYUUHFYABCBF-INIZCTEOSA-N 353.422 1.856 0 50 FDAA O=C(CCCn1cncn1)N1C[C@H]2CC[C@@H]1CN(Cc1ccncc1)C2 91563246 YQHHLHNVNRAQOW-ZWKOTPCHSA-N 354.458 1.576 0 50 FDAA COc1ccc(-n2cccn2)c(-c2cn([C@H]3CCCCNC3=O)nn2)c1 91769055 MCAZUAPQGGYDLE-KRWDZBQOSA-N 352.398 1.981 0 50 FDAA COc1ccccc1-n1cc(C(=O)N[C@H](C(=O)O)c2c(C)n[nH]c2C)cn1 95509704 VALAUNPXGDQDKO-INIZCTEOSA-N 369.381 1.777 0 50 FDAA CC(C)Cc1noc(CN(C)C(=O)[C@@H]2CC(=O)N(Cc3cccnc3)C2)n1 95517012 DYANNKONLDEQTG-OAHLLOKOSA-N 371.441 1.670 0 50 FDAA CC(=O)N1CSC[C@@H]1C(=O)N(CCC(=O)O)Cc1cccc(F)c1F 299747465 DCCOVSGVDFFFHX-CYBMUJFWSA-N 372.393 1.690 0 50 FDAA COC(=O)c1cnc(O)c([C@H](CC(N)=O)c2ccc(OC)c(O)c2)c1O 253623771 KNEOYBDSLXUVDG-SECBINFHSA-N 362.338 1.001 0 50 FDAA biogenic Cc1ccccc1-c1noc(CNC(=O)N2CCN(CCCO)CC2)n1 534644136 YQLZCTARHKPEON-UHFFFAOYSA-N 359.430 1.255 0 50 FDAA CC(C)N1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1 263616470 IWOQNRPOMGHUGM-QGZVFWFLSA-N 373.432 1.855 0 50 FDAA CCn1c(CC2CCN(C(=O)c3cccc4c3OCC4)CC2)nn(C)c1=O 67490020 HDVRNFIKDSENER-UHFFFAOYSA-N 370.453 1.632 0 50 FDAA CN1CCN([C@H]2CN(C(=O)Cc3cccc(C(F)(F)F)c3)C[C@@H]2O)CC1 299767306 JSPKUTWUIWRMNM-HOTGVXAUSA-N 371.403 1.067 0 50 FDAA Cc1nc(CN2CCN(C(=O)c3c(C)oc4c3C(=O)CCC4)CC2)no1 299787573 NMYLVZOXTDBYMX-UHFFFAOYSA-N 358.398 1.756 0 50 FDAA O=C(Nc1ccccc1CN1CCCCC1)N1CCS(=O)(=O)CC1 299786412 KGZOIJODPQLFFR-UHFFFAOYSA-N 351.472 1.935 0 50 FDAA CCCc1cc(C(=O)N2CC[C@]3(OC)CC[C@H](OCCO)C[C@H]23)no1 299763218 XVSZKVLZUJEUJS-QANKJYHBSA-N 352.431 1.788 0 50 FDAA Cc1ccc2c(=O)cc(C(=O)NCC3(CN4CCN(C)CC4)CC3)oc2c1 299775620 LCEBVMKAYBAZJX-UHFFFAOYSA-N 369.465 1.859 0 50 FDAA CCn1ccc2cc(C(=O)N3CCN(CCS(C)(=O)=O)CC3)ccc21 299782027 UKEOMPPZLFJXSJ-UHFFFAOYSA-N 363.483 1.464 0 50 FDAA CNC(=O)CCc1ccccc1NC(=O)N1CCOC[C@H](CN(C)C)C1 299795607 MSMXAPPCBRWGQN-OAHLLOKOSA-N 362.474 1.407 0 50 FDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)C[C@H](C)n2cccn2)cc1 827802734 YDQWTEGTPAWVQF-HNNXBMFYSA-N 364.471 1.627 0 50 FDAA CCc1nnc(CNC(=O)N(Cc2cccnc2)C[C@@H]2CCC(=O)N2)s1 584903105 YJIRHQPPYSHKDP-ZDUSSCGKSA-N 374.470 1.486 0 50 FDAA CC(C)C1=NO[C@@H](C(=O)NCC2CCN(Cc3ccc(CO)o3)CC2)C1 828825990 JQMOREPVLKDHIN-GOSISDBHSA-N 363.458 1.901 0 50 FDAA CC1(NC(=O)c2coc(O)n2)CN(C(=O)c2ccc(C(F)F)cc2)C1 1875354951 VALCMSZDKDDMJD-UHFFFAOYSA-N 351.309 1.962 0 50 FDAA Cc1ccccc1C1(CNC(=O)N2CCc3c(O)nc(O)nc3C2)CC1 1875303500 ATYFSNCVGKWLQL-UHFFFAOYSA-N 354.410 1.996 0 50 FDAA O=C(Nc1cnn(C[C@@H]2CCCN2)c1)c1cc2cc(F)ccc2[nH]c1=O 1875360494 BJHLYAFXSWCTQS-ZDUSSCGKSA-N 355.373 1.868 0 50 FDAA C[C@H](Oc1ccc(Br)cc1F)C(=O)NC[C@@H](O)c1cnc[nH]1 1875329049 AWZIUGNLYNXPTC-QPUJVOFHSA-N 372.194 1.928 0 50 FDAA Cc1oc(-c2ccc(F)cc2)nc1CC(=O)N1CCNS(=O)(=O)CC1 1875309852 QOXUPVLAPPTJTG-UHFFFAOYSA-N 367.402 1.093 0 50 FDAA CC(C)c1nnc([C@]23CC[C@H]2CCN3C(=O)CN2CCCS2(=O)=O)o1 1875404347 FZDAAPPWEOXEGC-LRDDRELGSA-N 368.459 1.066 0 50 FDAA O=C(Cc1cn2cc(F)ccc2n1)N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O 1875400973 OZKGLUFOXWLNLU-APHBMKBZSA-N 357.389 1.168 0 50 FDAA Cc1cc(Cl)ccc1OCC(=O)N[C@H]1CCOC[C@@H]1OCC(=O)O 1565514022 XVEZKWNVDYFESU-JSGCOSHPSA-N 357.790 1.402 0 50 FDAA CC(C)Cc1ccc(C(=O)N[C@H]2CCOC[C@@H]2OCC(=O)N(C)C)cc1 1565509534 FQKIXJPIBGXPFQ-ROUUACIJSA-N 362.470 1.877 0 50 FDAA Cc1ccccc1[C@@]1(O)CCN(C(=O)CCC(=O)Nc2nncs2)C1 952860595 QJEFHHSRTZZOFW-QGZVFWFLSA-N 360.439 1.685 0 50 FDAA CC[C@H](NC(=O)CCC(=O)Nc1nncs1)c1cn2cccnc2n1 952986509 LSOIUQCQXHXVMS-JTQLQIEISA-N 359.415 1.567 0 50 FDAA O=C(CN1CCCC[C@@H](O)C1=O)NCC1CCN(c2ccccc2)CC1 886078416 YUNOIWAEWSFLQC-GOSISDBHSA-N 359.470 1.393 0 50 FDAA CC(C)n1ccc(CNC(=O)C(=O)Nc2cc([C@@H]3CCCOC3)nn2C)n1 1344115280 DNDIPLITQXMXHM-CYBMUJFWSA-N 374.445 1.346 0 50 FDAA O=C(NC1CC1)[C@@H]1CCCN(C(=O)c2cccc(OCC(F)F)n2)C1 1323070687 HTUMXUXMGQMABR-LLVKDONJSA-N 353.369 1.856 0 50 FDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C1CCN(c2cnccn2)CC1 272027869 ODSDQOMRUNYLPH-XHSDSOJGSA-N 358.442 1.937 0 50 FDAA CN(Cc1nccc(N)n1)[C@H]1CCN(C(=O)Cc2ccc3c(c2)CCC3)C1 276162658 AVTMQFMVKVWPNP-SFHVURJKSA-N 365.481 1.823 0 50 FDAA CC1CCC(N2C[C@@H](C(=O)N[C@@H](CO)Cc3ccncc3)CC2=O)CC1 276499947 HPRWHYZZTFACKC-FFDQMNFHSA-N 359.470 1.528 0 50 FDAA CC1CCC(N2C[C@H](C(=O)NS(=O)(=O)Cc3ccon3)CC2=O)CC1 408480986 QCKOSRGKSNZLPJ-MBHSVXNSSA-N 369.443 1.048 0 50 FDAA COCc1nc2n(n1)C[C@H](NC(=O)Cc1nc(C(C)C)c(C)s1)CC2 279584078 WZTTYRNZGQCULO-GFCCVEGCSA-N 363.487 1.987 0 50 FDAA CC(C)n1ccc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)n1 279629818 PKIVCQHSGAVPPC-HOTGVXAUSA-N 362.453 1.882 0 50 FDAA CC(=O)NCCNC(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 190682919 AXQLRQZQBMYTBG-AWEZNQCLSA-N 353.492 1.051 0 50 FDAA O=C(Cn1nc2ccccc2n1)NCC1CCN(C[C@@H]2CCCOC2)CC1 1506399693 PWGUWQFMZBJEAR-KRWDZBQOSA-N 371.485 1.686 0 50 FDAA O=C(c1ccccn1)[C@@H]1CCCN(c2ncc(F)c(N3CCOCC3)n2)C1 1506419702 IYMDCKYGBRNAEB-CQSZACIVSA-N 371.416 1.947 0 50 FDAA CC(C)N1C(=O)CO[C@H](C(=O)N2CCCN(C)CC2)[C@H]1c1ccccc1 1529126325 BPESMFPISCYTMV-MOPGFXCFSA-N 359.470 1.528 0 50 FDAA Cc1ccn2cc(C(=O)N3CC[C@H]4[C@H](CCC(=O)N4CCN)C3)nc2c1 215416789 DVAGDOFHTBRYSI-ZBFHGGJFSA-N 355.442 1.055 0 50 FDAA CCCn1cc(C(=O)N2CCCN(C[C@@H]3COCCO3)CC2)c(C)n1 1704347825 PKJAXPPJUPKRCL-MRXNPFEDSA-N 350.463 1.165 0 50 FDAA O=C(NCCN1CCCC1)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1772818455 FMRRNEVQDSGODP-CQSZACIVSA-N 364.515 1.297 0 50 FDAA COc1ccc(NC(=O)CCn2nnc3ccccc3c2=O)c(OC)c1 5240802 HIPIEURZJQBWGN-UHFFFAOYSA-N 354.366 1.838 0 50 FDAA COc1ccccc1CN1C[C@H](C(=O)NCc2cnn(C)c2)CCC1=O 12387355 UCTIVNDJSTWWFR-MRXNPFEDSA-N 356.426 1.484 0 50 FDAA Cc1c2c(=O)n(-c3ccccc3)[nH]c2cc(=O)n1CCCN1CCCC1=O 12391666 JLOHIMBFNURCAQ-UHFFFAOYSA-N 366.421 1.801 0 50 FDAA CCS(=O)(=O)c1ncc(CN(C)Cc2ccc(C)o2)n1CCOC 12433565 KQOFCMXDNFQYOH-UHFFFAOYSA-N 355.460 1.857 0 50 FDAA O=C(Nc1ccnn1C1CCN(CCCn2cccn2)CC1)[C@H]1CCOC1 12762671 UQZLXDDATUMKOB-INIZCTEOSA-N 372.473 1.782 0 50 FDAA 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1.591 0 50 FDAA CN(C)[C@H]1CCN(C(=O)c2ccc(-c3n[nH]c(N4CCOCC4)n3)cc2)C1 2356148660 KSKOYSMPGBQIBC-INIZCTEOSA-N 370.457 1.084 0 50 FDAA C[C@@H](CNS(=O)(=O)c1ccccc1)NS(=O)(=O)c1ccccc1 2753800 VTAWTKFAEXVILK-ZDUSSCGKSA-N 354.453 1.332 0 50 FDAA CC(C)OCCCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1F 55341535 ODOAGXYNSHBMFY-KRWDZBQOSA-N 365.449 1.448 0 50 FDAA CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2cccc(NCC(=O)O)c2)C1 55120666 RPWILCCUOHEMTR-OAHLLOKOSA-N 361.442 1.904 0 50 FDAA CCCC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 10442820 JEARECAXROPIMD-UHFFFAOYSA-N 356.444 1.337 0 50 FDAA C[C@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)N(C)C)CC1 10449941 HVXDRNYHSGROSX-ZDUSSCGKSA-N 351.472 1.483 0 50 FDAA Cc1nc(S(=O)(=O)C[C@H](O)CO)n([C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C 247046197 NHVHDXGWMHFQLA-RFBLXINOSA-N 356.488 1.624 0 50 FDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)N(C)Cc1cc[nH]n1)CO2 67909077 GEGMNIGWMQVLIW-OAHLLOKOSA-N 371.441 1.357 0 50 FDAA CC(=O)Nc1ccc(S(=O)(=O)N2CCC3(CCN(C)CC3)C2)cc1 65395202 QAMMHWQRUQMREB-UHFFFAOYSA-N 351.472 1.751 0 50 FDAA CCn1cc(Br)c(C(=O)Nc2cn(CC)nc2C(N)=O)n1 2780163 OPKVLNPKVCNZBD-UHFFFAOYSA-N 355.196 1.233 0 50 FDAA O=C(Cn1nc2ccccc2n1)N1CCN(c2ncccc2Cl)CC1 215847363 ZTKPHFMTQDFYQZ-UHFFFAOYSA-N 356.817 1.829 0 50 FDAA CC(C)[C@@H]1OCCC[C@H]1Nc1ccnc(NC[C@H]2CCCS2(=O)=O)n1 328621397 AJXMPYQOVZZVNL-FMKPAKJESA-N 368.503 2.081 0 50 FDAA O=C(O)[C@H]1C[C@H](C(=O)N2CCCC2)CN(Cc2ccc(-c3cc[nH]n3)o2)C1 71753926 MTPJVRLDUJCDPI-KBPBESRZSA-N 372.425 1.815 0 50 FDAA CC(C)CN1CCN(C(=O)c2ccccc2F)[C@H]2CS(=O)(=O)C[C@H]21 72417750 JTLBJHBIGFIZGU-CVEARBPZSA-N 354.447 1.405 0 50 FDAA Cc1ccsc1S(=O)(=O)N1CC[S@@](=O)C[C@@H]1c1cnn(C)c1 329567213 HRGVMRSDCFYOAP-XUSGNXJCSA-N 359.498 1.284 0 50 FDAA Cc1cc(C)n(Cc2cccc(C(=O)NCCc3nc(O)cc(O)n3)c2)n1 219931129 YLVRDIBBRZSAQO-UHFFFAOYSA-N 367.409 1.722 0 50 FDAA COc1cccc(C(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)c1 72437029 ALEMZRQRKAVBSW-UHFFFAOYSA-N 355.442 1.822 0 50 FDAA O=C(c1ccccc1[C@@H]1CCNC1)N1CCC(N2CCC(O)CC2)CC1 72470395 JRAQEYWOVPCLLE-MRXNPFEDSA-N 357.498 1.825 0 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AEDCANNVRGWYIY-UHFFFAOYSA-N 362.503 1.970 0 50 FDAA O=C(c1ccc(=O)[nH]c1)N1CCN(CCCc2ccccc2)[C@H](CCO)C1 72426686 DHZCEOHLELEHBK-LJQANCHMSA-N 369.465 1.517 0 50 FDAA Cn1cc(-c2cc(N3C(=O)N[C@H](Cc4ccccc4)C3=O)n(C)n2)cn1 375920047 BXIJVLHFYBRIIU-OAHLLOKOSA-N 350.382 1.488 0 50 FDAA CCc1nccc(CN2CCC3(CC2)C[C@H](C(=O)O)N(C(=O)C2CC2)C3)n1 72407791 NQLPSPIATAYJTQ-MRXNPFEDSA-N 372.469 1.717 0 50 FDAA O[C@H]1CN(Cc2cnc(NCc3ccccc3)nc2)C[C@@H]1N1CCCC1 215252955 MWRVGDVGZCZEJX-OALUTQOASA-N 353.470 1.730 0 50 FDAA O=C1NC2(CCCC2)C(=O)N1CCN[C@@H](CO)c1c(F)cccc1F 378623010 LSIACAZIGGIEPV-ZDUSSCGKSA-N 353.369 1.452 0 50 FDAA O=C(Cn1nc(-c2ccccc2)ccc1=O)N[C@@H](C(=O)O)c1ccccc1 44901199 QCNSYJXMKOTRHE-LJQANCHMSA-N 363.373 1.852 0 50 FDAA Cc1nc2nc3ccn(-c4ncn[nH]4)c(=O)c3c(-c3ccc(F)cc3)n2n1 40398577 LVUQMEMEAJCABS-UHFFFAOYSA-N 362.328 1.661 0 50 FDAA Cn1ccnc1[C@@H](O)c1cc2n(n1)CCN(Cc1cc(C(C)(C)C)n[nH]1)C2 221396616 JUVLLKMJOYGKHV-KRWDZBQOSA-N 369.473 1.735 0 50 FDAA CC[C@@H](Cn1ccnc1)NC(=O)CCc1ccc(S(=O)(=O)NC)cc1 222734492 MWDOFNHCVJCYOB-HNNXBMFYSA-N 364.471 1.319 0 50 FDAA O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NCc1nc2ccccc2[nH]1 194998350 UYNQZOYUBZXDJF-JKIFEVAISA-N 373.482 1.905 0 50 FDAA C[C@@H](O)c1cccc(-c2ccc(C(=O)N3CCN(CC(N)=O)CC3)cc2)c1 426581263 OJIJVLACBKKANC-OAHLLOKOSA-N 367.449 1.650 0 50 FDAA CCN1CC[C@]2(CCC1=O)CN(C(=O)Cc1ccccc1OC)CCN2C 95365336 QRTWWDZUJHZTHH-OAQYLSRUSA-N 373.497 1.783 0 50 FDAA COc1ccccc1N1C[C@H](NC(=O)CCn2c(C)cccc2=O)CC1=O 426369096 BYIAHJYPAPPESQ-OAHLLOKOSA-N 369.421 1.477 0 50 FDAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(C(=O)CCC(=O)c1ccccc1)CC2 95353487 PENNYWHRVFQVPY-HNNXBMFYSA-N 372.421 1.574 0 50 FDAA Cc1ccc2cccc(OCCNC(=O)[C@@H]3CCC(=O)NC(=O)N3)c2n1 97711808 NAQKKPYYIQNVSW-ZDUSSCGKSA-N 356.382 1.026 0 50 FDAA O=C(NCCOc1ccc(F)cc1)[C@@H]1CC(=O)N(Cc2cccnc2)C1 95386233 WKNIOYNMHJCXPD-OAHLLOKOSA-N 357.385 1.764 0 50 FDAA COc1ccc(NC(C)=O)cc1NC(=O)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 95502788 ONKAZRCGMYCRLA-CRJCFHLZSA-N 363.414 1.249 0 50 FDAA COc1ccc(CNc2cc([C@@H]3CCOC3)nc(N3CC(O)C3)n2)cc1 426380155 SJERIXOLIIAJGN-CQSZACIVSA-N 356.426 1.782 0 50 FDAA CC(C)c1cc(CNC(=O)C2CCN([C@@H]3CCS(=O)(=O)C3)CC2)no1 426470869 SGRXABMIMKMHBL-OAHLLOKOSA-N 369.487 1.313 0 50 FDAA CCN1CCN(c2ccc(C(=O)N[C@H](C(=O)O)C(C)C)cc2F)CC1 236894704 GIERQGPBMVLULW-INIZCTEOSA-N 351.422 1.807 0 50 FDAA CN(C)C1=NC(=O)C2(CCN(Cc3ccc([C@H]4CCCCO4)o3)CC2)N1 97475456 IXASUDIIBAWNPS-OAHLLOKOSA-N 360.458 1.903 0 50 FDAA Cc1cccc(N2CCC(N3C[C@H](C4CC4)[C@@H](NC(=O)CO)C3)CC2)c1 91817647 DREIWAFEGMOBBF-UXHICEINSA-N 357.498 1.783 0 50 FDAA O=C(CN1CC2(CCCC2)CC1=O)N1CCCN(C(=O)c2ccoc2)CC1 95527394 TZGGGZIETUHDFP-UHFFFAOYSA-N 373.453 1.747 0 50 FDAA CC(C)c1ccc(C(=O)N2CCCC[C@H]2CN2CCOCC2)c(=O)n1C 92066619 SOECCXDFXKYHRO-INIZCTEOSA-N 361.486 1.836 0 50 FDAA CCn1cc(S(=O)(=O)N2CC[C@@]3(CCCN(C(C)C)C3=O)C2)cn1 91616839 SNGHJONRRHLUKY-INIZCTEOSA-N 354.476 1.315 0 50 FDAA Cc1cc(N2CCCN(C(=O)[C@H]3CSC(C)(C)C(=O)N3)CC2)ccn1 95371745 OREXHJHCQKWZGI-OAHLLOKOSA-N 362.499 1.439 0 50 FDAA COCCN1CC[C@@H](C(=O)N2CCn3nc(Cc4ccccc4)cc3C2)C1 97301433 CVWWWBXRTMRLEN-GOSISDBHSA-N 368.481 1.784 0 50 FDAA COc1cccc(CN2CCN(CC(=O)Nc3cnn(C)c3C)CC2=O)c1 244723487 MCNKIMHGRIXRNG-UHFFFAOYSA-N 371.441 1.020 0 50 FDAA Cc1ccccc1CNC(=O)CN1CCC[C@H](c2nnc(CO)n2C)C1 244796160 RUDPEQULQDHMEK-INIZCTEOSA-N 357.458 1.112 0 50 FDAA C[C@H]1CN(C(=O)NCc2cc(Cl)cc3c2OCC3)C[C@H](C)S1(=O)=O 292728584 ZKNSWVHDLTTXOU-QWRGUYRKSA-N 372.874 1.992 0 50 FDAA COc1c(C)cnc(CN(C)[C@H]2CCN(c3cc(C)nn3C)C2=O)c1C 295257991 ZZTIGHPHXRJGDN-INIZCTEOSA-N 357.458 1.986 0 50 FDAA CC(C)Nc1ccc(-c2ccc(C(=O)N3CCS(=O)(=O)CC3)cc2)nn1 534634800 RFBXMVAFEUPLRZ-UHFFFAOYSA-N 374.466 1.835 0 50 FDAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)Cn1ncc(=O)c2ccccc21 299753054 WQXJMCFTTNHOKM-KRWDZBQOSA-N 363.373 1.435 0 50 FDAA NS(=O)(=O)c1cc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)cs1 299753174 XEERPDMQEMHUIB-GFCCVEGCSA-N 366.420 1.047 0 50 FDAA CC(C)N1CCO[C@H](CC(=O)NCc2nc(Cc3ccccc3)no2)C1 670451848 KUIRMDBOLCEGDW-MRXNPFEDSA-N 358.442 1.776 0 50 FDAA CC(=O)N1C[C@@H]2CC[C@H](C1)CN2S(=O)(=O)c1ccc(OC(F)F)cc1 1073383643 GCMNXVWIMOAGQF-OLZOCXBDSA-N 374.409 1.919 0 50 FDAA CS(=O)(=O)Cc1ccc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)o1 268938451 JFBDSTAZLRKCOT-UHTWSYAYSA-N 355.412 1.682 0 50 FDAA Cc1ncc(CN2CCN(C(=O)c3cc(OC(F)F)n(C)n3)CC2)s1 185519654 YZRCUMZMKOVJMX-UHFFFAOYSA-N 371.413 1.744 0 50 FDAA O=C(O)CN1CCC(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 275264820 MPIDHEZGFKEUBL-UHFFFAOYSA-N 367.254 1.821 0 50 FDAA Cc1nn(C)c(N2CCOCC2)c1CN[C@H]1CCCO[C@@H]1c1ccncc1 275532412 LYWNKAGWQPFIIM-RBUKOAKNSA-N 371.485 1.970 0 50 FDAA Cc1cc(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cnn1 276239389 PBVOXKPOGQMTSZ-INIZCTEOSA-N 360.364 1.984 0 50 FDAA COC[C@@H](O)CN1CCC2(CC1)C[C@@H]2N(Cc1ccsc1)C(C)=O 276469101 NLUABNVTZQAQGH-IRXDYDNUSA-N 352.500 1.958 0 50 FDAA Cc1cc(N2CCC[C@@H](NC(=O)c3ccc4nnc(C)n4c3)C2)n(C)n1 277546938 IWKRWFCBBHLWAR-OAHLLOKOSA-N 353.430 1.478 0 50 FDAA COc1cccc([C@@H](O)C(=O)N2CCN(c3cc(C4CC4)n[nH]3)CC2)c1 189992242 JAWFPOBMFJSPGH-GOSISDBHSA-N 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C=CC(=O)N[C@H](C)C1CCN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)CC1 1875386634 VXXQHUVVAUMLRY-DYVFJYSZSA-N 356.422 1.697 0 50 FDAA CN=[S@]1(=O)CCC[C@@]2(CCCN2C(=O)c2ccc(-n3cnnn3)cc2)C1 1875396201 YNSCRKDERXZBEV-QLXKLKPCSA-N 374.470 1.529 0 50 FDAA CO[C@@H]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)CCc2cncs2)C1 1875407388 YSFRTBMAAIBXRZ-MYZSUADSSA-N 351.472 1.654 0 50 FDAA O=C(NC1CC2(C1)C[C@@H]2Nc1ncccn1)[C@@H]1CC[C@@H]([C@H]2CCCO2)O1 1875405415 FXGQIVHQSWKKIO-ZUHZWUBMSA-N 358.442 1.652 0 50 FDAA CC1(C)CN(C(=O)c2cnns2)C[C@H]1NC(=O)C[C@@H]1CCCOC1 1875406950 PLXGIOFDHGGKCY-WCQYABFASA-N 352.460 1.322 0 50 FDAA Cc1ccc2c(C(=O)N[C@@]3(C)CCN([C@H]4CCNC4=O)C3)cnn2c1C 1875407593 DLMJOXBJAPWNRI-LPHOPBHVSA-N 355.442 1.034 0 50 FDAA Cn1cccc1C(=O)NC[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1nccn1C 886026676 HBJJCFVFRWCGNV-DYVFJYSZSA-N 355.442 1.631 0 50 FDAA CCOC(=O)N1CCN(C(=O)c2cc(-n3cnnc3)ccc2Cl)CC1 1427051 GVOKGFGBSIFGMC-UHFFFAOYSA-N 363.805 1.835 0 50 FDAA N[C@H]1CC[C@H](c2nc(-c3ccccn3)nn2[C@H]2CCS(=O)(=O)C2)CC1 2100547176 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1.450 0 50 FDAA O=C(NCc1ccccn1)c1cc2n(n1)CCN(C(=O)[C@H]1CCCCO1)C2 67774026 PEYXMQBRDQEVLD-QGZVFWFLSA-N 369.425 1.119 0 50 FDAA Cc1ccc(F)cc1CC(=O)N[C@@H](c1nnc2n1CCNCC2)C(C)C 67714820 VWGYOTYEORZITF-GOSISDBHSA-N 359.449 1.927 0 50 FDAA Cc1nc(NCCNS(=O)(=O)c2cccs2)cc(N2CCCC2)n1 65362368 NMLMOLYZJLQDIQ-UHFFFAOYSA-N 367.500 1.837 0 50 FDAA O=C(Cn1nnc2ccccc2c1=O)N1CC[C@]2(C1)OCc1ccccc12 329905466 JOYCHLAXKSWAEC-HXUWFJFHSA-N 362.389 1.450 0 50 FDAA CCc1ccccc1CN1C[C@H]2[C@@H](C1)OC(=O)N2CCCN1CCOCC1 67847007 PUUFEOZLEBPLNS-VQTJNVASSA-N 373.497 1.976 0 50 FDAA CC[C@H]1C(=O)N(CC)CCN1C(=O)c1cccc([C@@]2(C)N=C(O)N=C2O)c1 330263329 WJMPRLKKJBSNJR-IFXJQAMLSA-N 372.425 1.869 0 50 FDAA COC(=O)c1cc2n(n1)CCCN(C(=O)Cc1n[nH]c3ccccc13)C2 67868155 NHPAVDDKSAHSPF-UHFFFAOYSA-N 353.382 1.521 0 50 FDAA Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3snnc3C)CC2)n1 67604423 IAKXPVLIFWBDOU-UHFFFAOYSA-N 373.486 1.508 0 50 FDAA Cc1cc(C(=O)Nc2ccccc2C(N)=O)ccc1N(C)S(C)(=O)=O 65364660 ONYJHKIAAKGYFC-UHFFFAOYSA-N 361.423 1.742 0 50 FDAA COc1ccc([C@H](O)C(=O)N2CCCN(Cc3ccccn3)CC2)cc1 215537822 FBFRFSHQXQDINR-IBGZPJMESA-N 355.438 1.858 0 50 FDAA Cc1ccc(CS(=O)(=O)NC(=O)[C@@H]2CCCN2C(=O)C(C)C)c(C)c1 240551380 GTHHIKXLVJFDQM-INIZCTEOSA-N 366.483 1.896 0 50 FDAA CC(C)c1noc(C2CCN(C(=O)[C@H]3CC4(CCNCC4)CN3)CC2)n1 72130609 QIKQJCLKPHCGTD-OAHLLOKOSA-N 361.490 1.631 0 50 FDAA Cc1c(C(=O)OC[C@@H]2CC=CC[C@H]2C)cnc2c1c(=O)n(C)c(=O)n2C 129642732 VWUMGLTYBHCHHA-YPMHNXCESA-N 357.410 1.700 0 50 FDAA O=C(CCn1cnnc1)N[C@@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 72148080 XWLFACPZFCDEEE-OAHLLOKOSA-N 361.833 1.281 0 50 FDAA C[C@@H]1CCCC[C@H]1OCCNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 252679693 QAHKNRMVVGAJLP-QLFBSQMISA-N 361.508 1.305 0 50 FDAA O=C(C[C@@H]1COCCN1C(=O)c1ccsc1)NCCc1ccncc1 72410241 GJBKKANYJSOWHY-MRXNPFEDSA-N 359.451 1.733 0 50 FDAA C[C@@H]1CN(C)c2ccccc2N(C(=O)c2cn(C3CCNCC3)nn2)C1 152300456 YTHCERLSEWBUFB-CQSZACIVSA-N 354.458 1.935 0 50 FDAA CCn1ncnc1[C@H](C)NC(=O)Cn1nc(-c2ccccc2)n(CC)c1=O 77424319 PQOOIPYIJIULOG-ZDUSSCGKSA-N 369.429 1.221 0 50 FDAA C[C@H](NC(=O)c1cccc(C(=O)N2CCCC2)n1)c1nnc2ccccn12 154869235 QYTIHNPWNHSVDG-ZDUSSCGKSA-N 364.409 1.851 0 50 FDAA Cc1ccc(C2(O)CCN(C(=O)c3ccc(-n4cnnn4)cc3)CC2)nc1 215390254 NKSXGQFAXUAZKZ-UHFFFAOYSA-N 364.409 1.490 0 50 FDAA Cn1c(NC[C@H]2CC[C@H](c3ccccc3)O2)nc2c1c(O)nc(=O)n2C 367935053 LHSOOIZYMNPRKI-CHWSQXEVSA-N 355.398 1.705 0 50 FDAA O=C(c1ccc(-c2noc(C3CC3)n2)cc1)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 71749495 MQIVFVSTKBFKRZ-ZYGGUILKSA-N 369.421 1.818 0 50 FDAA Cc1nc2c(c(N3CCCC3)n1)CCN(C(=O)CCc1cc(O)no1)C2 71749706 XYIUDHNOFFLTGZ-UHFFFAOYSA-N 357.414 1.596 0 50 FDAA CC1(C)C[C@H](NC(=O)c2cnn(CCN3CCOCC3)c2)C(C)(C)O1 371537780 JOIRBYUVPCTTDK-HNNXBMFYSA-N 350.463 1.291 0 50 FDAA COCCN1C[C@@H](C(=O)N2CCC(Oc3ccc(C)cc3)CC2)CC1=O 77515760 NQQUGSXLUBREEF-INIZCTEOSA-N 360.454 1.860 0 50 FDAA COc1ccccc1CN1C[C@@H](C(=O)NCCc2csc(N)n2)CC1=O 219192178 XDWRMEWOEIUQHG-ZDUSSCGKSA-N 374.466 1.441 0 50 FDAA C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)CO 44964093 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CC(=O)N[C@H](C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O)C(C)C 92098352 MITSJNQCTXDPJI-INIZCTEOSA-N 358.442 1.573 0 50 FDAA CNc1cc(C)nc(N2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)n1 95386165 NHMNTAZECHTLHB-CQSZACIVSA-N 367.461 1.584 0 50 FDAA CN(C)c1ncc(-c2c(-c3ccccc3)ncn2[C@@H](CO)C(=O)O)cn1 91964911 DPKYNFXXJYYCQX-AWEZNQCLSA-N 353.382 1.691 0 50 FDAA NC(=O)CN1CC2(CCC1=O)CCN(c1nc(-c3ccccc3)no1)CC2 92096882 NXVDYXZYRKTVDN-UHFFFAOYSA-N 369.425 1.431 0 50 FDAA CN1CC[C@]2(CCC1=O)CN(S(=O)(=O)c1cccc(F)c1)CCN2C 95360903 SNMIGDIMABDQPP-QGZVFWFLSA-N 369.462 1.143 0 50 FDAA Cc1cnc(CN2C[C@]3(CCCN(Cc4nccn4C)C3)CCC2=O)cn1 91663183 JHFTYEAXCZUQJJ-HXUWFJFHSA-N 368.485 1.923 0 50 FDAA CCn1ncc(Cn2cc(NC(=O)[C@H]3[C@H](C(=O)O)[C@H]4CC[C@H]3O4)cn2)c1C 239174252 PPQOYZMMWPSTTC-KLHDSHLOSA-N 373.413 1.273 0 50 FDAA COc1ccccc1Cc1nc(CCc2c(C)n[nH]c2C)n(CCO)n1 97797288 QWWSKTQJGCVQHO-UHFFFAOYSA-N 355.442 1.995 0 50 FDAA CNC(=O)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC)C(C)C 238730588 PFBWZAGFLVKAGR-WBVHZDCISA-N 372.469 1.350 0 50 FDAA Cc1ccnn1CC(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 95371093 GOVUDVUMAQUVEG-CEWLAPEOSA-N 366.465 1.986 0 50 FDAA CO[C@@]1(C)C[C@@H](O)C12CCN(C(=O)CN1CCc3ccccc3C1)CC2 91625994 XBXXAOCXKLZDSX-QUCCMNQESA-N 358.482 1.823 0 50 FDAA CN(C1(CO)CC1)S(=O)(=O)c1cc(Br)c(F)cc1F 296136782 SNQOSCBFPSAKEH-UHFFFAOYSA-N 356.188 1.873 0 50 FDAA C[C@H](C(=O)NCCCc1ncc[nH]1)N(c1ccccc1)S(C)(=O)=O 243901604 BDHCFQHQJZUWBM-CYBMUJFWSA-N 350.444 1.313 0 50 FDAA COC1=C[C@]23[C@H]4[C@@H]5[C@@H]6[C@@H]5[C@@H]2[C@]3(C=C1)[C@H]6n1c(=O)n(-c2ccccc2)c(=O)n14 247956604 OOZBMPUTEZZCTM-SZQOZGAJSA-N 359.385 1.489 0 50 FDAA CN(C)[C@H](CNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O)c1ccsc1 298432409 NWJNMDKJOJGHQZ-QJPTWQEYSA-N 363.405 1.924 0 50 FDAA Cc1nc(CCNC(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)nc2c1CCC2 252667873 DMEFSCMIZLJOTH-OKILXGFUSA-N 369.473 1.280 0 50 FDAA CNS(=O)(=O)c1ccc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)cc1 299361658 NFPFWUMQQBBIRP-CFVMTHIKSA-N 366.439 1.453 0 50 FDAA CC(=O)O[C@@H]1[C@@H]2SC[C@]1(NC(=O)c1ccccc1)CC[C@H]2OC(C)=O 252693585 FDCYHZVWHZRHER-YFHUEUNASA-N 363.435 1.928 0 50 FDAA biogenic NC(=O)[C@H]1CC[C@H]2OCCN(C(=O)CCc3ccc4c(c3)OCO4)[C@@H]2C1 1940195336 MUOJBCGIFMSUHL-RRFJBIMHSA-N 360.410 1.229 0 50 FDAA COCC(=O)NCc1cc2n(n1)CCN(Cc1cccc3ncccc13)C2 299788806 XQKZKPUWCFSOIR-UHFFFAOYSA-N 365.437 1.710 0 50 FDAA CN1CCN(c2ccc(C(=O)N3CCC4(CC3)CNC(=O)O4)cc2)CC1 670468231 CFKSYUMVBKHSQA-UHFFFAOYSA-N 358.442 1.153 0 50 FDAA O=C(NC[C@H](O)C(F)(F)F)NC1CCN(Cc2ccsc2)CC1 952874737 DHPOTRQJNSNLBD-LBPRGKRZSA-N 351.394 1.935 0 50 FDAA COCc1nc([C@H]2CN(C(=O)C(C)(C)c3cnc[nH]3)C[C@@H]2C2CC2)n[nH]1 952847960 BQMBWPHPGJESAP-OLZOCXBDSA-N 358.446 1.604 0 50 FDAA Cc1ccc(C)c(C2=NO[C@@H](C(=O)N3CCN(c4cn[nH]c4)CC3)C2)c1 1875344160 GKEKCTMGDYQGFF-GOSISDBHSA-N 353.426 1.868 0 50 FDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cncn3C(C)C)C2)n1 1875397355 XCSDKZHRXKCKHD-OAHLLOKOSA-N 371.489 1.599 0 50 FDAA O=C(CCc1nc2ccccc2[nH]1)N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O 1875402065 AJVWKSCZIVIGON-KBRIMQKVSA-N 353.426 1.648 0 50 FDAA Cc1cc(C(=O)N2CCOC[C@@H](NC(=O)[C@H]3C[C@H]4CC[C@H]3C4)C2)cn1C 1875406436 DNBVPLKHJVFGTD-LAQRGFTBSA-N 359.470 1.727 0 50 FDAA CCc1ocnc1C(=O)N1C[C@H](c2ccc(OC)cc2)[C@@H](NC(C)=O)C1 1565527768 SRRGGFXZHLQYIY-CVEARBPZSA-N 357.410 1.990 0 50 FDAA Cc1noc(C)c1CCC(=O)NCC1CCN(C(=O)[C@H]2CCOC2)CC1 952963370 JUCUGQJBUDMRTP-INIZCTEOSA-N 363.458 1.615 0 50 FDAA COCCN(Cc1ccccc1Cl)C(=O)CC[C@@H]1NC(=O)NC1=O 952973181 WPQIKSOKEDCCOX-ZDUSSCGKSA-N 353.806 1.303 0 50 FDAA C[C@H]1CCCN(C(=O)CN2CC[C@H](Oc3ccnc(CN(C)C)c3)C2)C1 886096446 HTFHOMRNHUNLDJ-LPHOPBHVSA-N 360.502 1.855 0 50 FDAA Cc1nc2ccccc2n1CC(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 886084732 CTCHMTXQXVHMCP-DOTOQJQBSA-N 355.398 1.041 0 50 FDAA CCN1C(=O)CC[C@H](CNC(=O)c2cnn(C)c2C)[C@H]1c1cnn(C)c1 888103009 ZJVVCTVUGMZQFS-DYVFJYSZSA-N 358.446 1.192 0 50 FDAA O=C(O)Cc1cccc(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)c1 269682165 GFWKWTVDHVYGLY-ZDUSSCGKSA-N 351.384 1.272 0 50 FDAA CC(=O)N1CCc2c(ncn(CC(=O)N(C)[C@H]3CCCC[C@H]3C)c2=O)C1 275477349 IDEKOUQYCDAPDY-DYVFJYSZSA-N 360.458 1.185 0 50 FDAA Oc1nccnc1N1CCC[C@H](NC2CCN(CC(F)(F)F)CC2)C1 275582040 PBPGIOXQPJEVFA-ZDUSSCGKSA-N 359.396 1.767 0 50 FDAA COc1ccc([C@@H](CNS(=O)(=O)C2COC2)N2CCCCC2)cc1 276404732 ZSURLWSJINVJBA-QGZVFWFLSA-N 354.472 1.540 0 50 FDAA CCc1nsc(N2CCCN(C(=O)c3cncc(Cl)n3)CC2)n1 170608048 APJFSQFPNKCROU-UHFFFAOYSA-N 352.851 1.896 0 50 FDAA O=C1CN(C(=O)[C@H]2CCc3[nH]nnc3C2)CCN1Cc1ccc(Cl)cc1 283016430 JMTKMAVANGVLHE-ZDUSSCGKSA-N 373.844 1.434 0 50 FDAA CCS(=O)(=O)N1CCN(C(=O)Nc2cccc3ccn(C)c23)CC1 190007881 XUQJLWIHQLDHOJ-UHFFFAOYSA-N 350.444 1.678 0 50 FDAA CO[C@H]1CN(C(=O)CCc2c(C)nn(C)c2C)C[C@H]1Cc1cc(C)no1 1529168634 JCZRVZSJBVAGDV-QAPCUYQASA-N 360.458 1.982 0 50 FDAA COc1ccc([C@H](C(=O)O)N2CCC3(CC2)COC(=O)O3)cc1OC 1529133815 CADYGSRYYWJFIE-CQSZACIVSA-N 351.355 1.831 0 50 FDAA CN1CCC[C@]2(CO)CCN(C(=O)c3cc4c(nc3O)CCCC4)C[C@@H]12 1704357112 CADJGSBSZNRHNX-YLJYHZDGSA-N 359.470 1.585 0 50 FDAA COc1ccc(S(=O)(=O)N2C[C@H]3CCCN3C(=O)[C@@H]2C)cc1OC 1772705962 ONZYUPDDCAZDBS-NWDGAFQWSA-N 354.428 1.088 0 50 FDAA CN1CC[C@H](C(=O)N2CCCN(C(=O)c3cccc4ncccc34)CC2)C1 1772710030 NTRSAHVTKIVCSM-INIZCTEOSA-N 366.465 1.861 0 50 FDAA Cc1nnc(SCC(=O)N[C@H]2CC(=O)N(CC3CCCCC3)C2)o1 11840856 JLNHBYAUTFXQCU-ZDUSSCGKSA-N 352.460 1.768 0 50 FDAA COc1ccc(CCN2C[C@@H](NC(=O)Cc3cccnc3)CC2=O)cc1 12075940 CIWYHULIARVWHS-KRWDZBQOSA-N 353.422 1.593 0 50 FDAA C[C@H](Oc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 12380443 HIZXYIHCNOOAOK-INIZCTEOSA-N 374.462 1.987 0 50 FDAA CN(Cc1ccno1)C[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O 12612822 PFEORLNDGCVXOX-SFHVURJKSA-N 365.380 1.938 0 50 FDAA COc1cccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)c1 13533730 LFYASJSONXZRDG-LLVKDONJSA-N 355.398 1.230 0 50 FDAA COc1ccc(S(=O)(=O)N2CCN(Cc3cn(C)c(C)n3)CC2)cc1 1857687628 XBWHDELZEBOXSC-UHFFFAOYSA-N 364.471 1.244 0 50 FDAA COC(=O)C1(NC(=O)[C@@H]2CC(=O)N(c3nc4ccc(C)cc4s3)C2)CC1 1857706005 FWPHAMDDPOUVIB-LLVKDONJSA-N 373.434 1.779 0 50 FDAA CN(C)C[C@H]1[C@H]2CN(C(=O)c3cccc4c3OCCO4)C[C@]23CC[C@H]1O3 1857709752 PJONCTSXVGWWLZ-QCBUCWTNSA-N 358.438 1.639 0 50 FDAA COc1ccccc1Cc1nc([C@H]2CN(C)CCO2)n(-c2ccnn2C)n1 1875246095 YLNGLGAVYXXNQG-MRXNPFEDSA-N 368.441 1.603 0 50 FDAA Cn1cccc1-c1nnc2ccc(C(=O)NCc3n[nH]c4c3CCC4)cn12 1875249407 QSKYMGGLZNBUOQ-UHFFFAOYSA-N 361.409 1.877 0 50 FDAA C[C@@H]1OCC[C@]1(O)CNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2 225723576 LYJCRKODGAOIIK-JKOBZHPESA-N 364.486 1.365 0 50 FDAA COc1ccc(Cl)cc1CC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 117693364 AWPIJMRVIDRQMZ-AWEZNQCLSA-N 362.817 1.546 0 50 FDAA O=C(O)C[C@H]1CN(C(=O)Cc2ccc(F)c(Br)c2)CCO1 238048028 RYKGIHFESWGHMA-JTQLQIEISA-N 360.179 1.833 0 50 FDAA Cn1nc(C(=O)NC2CCCC2)c2c1CCN(C(=O)Cc1cscn1)C2 14542290 KCNXZZCIVPEOTK-UHFFFAOYSA-N 373.482 1.676 0 50 FDAA COc1ccc(C2(C(=O)N3CC[C@@](O)(C(N)=O)C3)CC3(CCC3)C2)cc1 368614904 OMRWJEHZBQWWHA-FQEVSTJZSA-N 358.438 1.346 0 50 FDAA O=C(NC1CC1)[C@@H]1CCCN1C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 264760485 PTGOUMPWTNRVHL-WMZOPIPTSA-N 369.465 1.808 0 50 FDAA O=C(Cc1cccc2ccccc12)NCC(=O)N1CCC[C@@H]1c1nn[nH]n1 816273433 MIYQKDRSDHBYFW-MRXNPFEDSA-N 364.409 1.375 0 50 FDAA CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)Nc1cc(CC2CC2)[nH]n1 830881888 KMZNZAOGRUZEOE-ZDUSSCGKSA-N 350.419 1.937 0 50 FDAA CCN1CCO[C@@H](CNCc2cnn3ccccc23)[C@@H]1c1cnn(C)c1 850365531 SELOILBUSROSBT-OALUTQOASA-N 354.458 1.619 0 50 FDAA Cc1ncn(-c2ccc(NC(=O)C34CCN(CC3)S(=O)(=O)C4)cc2)c1C 2325784676 BMVHEZJQEHUNCY-UHFFFAOYSA-N 374.466 1.853 0 50 FDAA CC(=O)N(C)C1CCN(c2ccc3nnc(-c4ccccn4)n3n2)CC1 892020061 ZDLAWLUIDKZYKQ-UHFFFAOYSA-N 351.414 1.633 0 50 FDAA CN(C)c1cc(C(=O)N2CCN[C@H](c3cnn(C)c3)C2)nc2ccccc12 913460097 FFTMCSSRHNTSPM-SFHVURJKSA-N 364.453 1.821 0 50 FDAA N=c1n(CCN2CCOCC2)c2ccccc2n1CC(=O)c1ccco1 858726 AKUCIVNUTIYMOT-UHFFFAOYSA-N 354.410 1.730 0 50 FDAA COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(S(N)(=O)=O)cc1 861705 YEPVLQAOOPYFLA-HNNXBMFYSA-N 364.379 1.632 0 50 FDAA COc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2N)cc1 2378140 RRQOFQSYFGVBKU-UHFFFAOYSA-N 356.411 1.793 0 50 FDAA O=C(c1cccc2nccnc12)N1CCC[C@@]12CCCN(CCO)C2=O 2356167865 GJKYXWOXQCDQFT-LJQANCHMSA-N 354.410 1.219 0 50 FDAA CC[C@@H](Oc1cc(C)ccc1Cl)C(=O)N1CCN(S(C)(=O)=O)CC1 4750529 PHQIUPTXNMYIDR-CQSZACIVSA-N 374.890 1.910 0 50 FDAA C[C@@H]1CN(S(=O)(=O)NCCN2c3ccccc3CC[C@H]2C)C[C@@H](C)O1 248329196 CWNYWLIYAACUMR-BZUAXINKSA-N 367.515 1.771 0 50 FDAA COCCN(C[C@@H]1CCCO1)C(=O)c1cn2c3c(cccc3c1=O)CC2 65436084 XSGIVWDXEBLGHE-HNNXBMFYSA-N 356.422 1.825 0 50 FDAA Nc1nc(N2CCC(n3cc(-c4cccnc4)nn3)CC2)c2nc[nH]c2n1 67694795 ILTMEVSPXZYHJI-UHFFFAOYSA-N 362.401 1.430 0 50 FDAA O=C(Cn1nc2c(cc1=O)CCCCC2)N1CCN(c2ccccc2)CC1 61721549 WDYOYGRCQWSUHH-UHFFFAOYSA-N 366.465 1.861 0 50 FDAA CC(C)[C@@H]1OCCC[C@@H]1Nc1ccnc(N2CCC[C@@H]2c2nncn2C)n1 328631156 KCZHEGUVCFPMSB-UXLLHSPISA-N 371.489 2.562 0 50 FDAA Cc1nnc(CN(C)[C@H]2CN(c3ncnc4c(C)cccc34)C[C@H]2O)o1 328637314 OOFPJZRMRYQYNB-LSDHHAIUSA-N 354.414 1.311 0 50 FDAA Cc1nc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c(C)o1 71721589 NGBZVBZDTPUTJJ-OAHLLOKOSA-N 374.485 1.887 0 50 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Cc1ncsc1CCN(C)c1cc([C@@H]2CCOC2)nc(NCCO)n1 426370194 BLBGOCSMJJTVFX-CYBMUJFWSA-N 363.487 1.829 0 50 FDAA CS(=O)(=O)NCC(=O)N1CC[C@@]2(CCCN(CC3CCCCC3)C2)C1 426477590 QANUJKFRKJDIBN-GOSISDBHSA-N 371.547 1.430 0 50 FDAA O=C(NC[C@H](c1ccccn1)N1CCOCC1)Nc1cccc2[nH]nnc12 96164881 HOKBUROWMBMBJB-MRXNPFEDSA-N 367.413 1.548 0 50 FDAA Cc1nc(-c2cccnc2)ncc1C(=O)NCc1cc2n(n1)CCCNC2 97578933 PMWONRSGLLZYOT-UHFFFAOYSA-N 363.425 1.467 0 50 FDAA Nc1cncc(-c2ccc(C(=O)NCCN3CCC(CO)CC3)cc2)c1 426429066 YKWVTCZKTMLRBS-UHFFFAOYSA-N 354.454 1.765 0 50 FDAA Cc1cc(C(=O)NCCNC(=O)c2cccnc2)cc2sc(N)nc12 97578895 ZVLGAMNSUOFMHZ-UHFFFAOYSA-N 355.423 1.742 0 50 FDAA CCN(Cc1ccncc1)C(=O)[C@@H]1CCC(=O)N(CCN2CCOCC2)C1 91364648 CMVKBAFTBWNEJE-GOSISDBHSA-N 374.485 1.001 0 50 FDAA COCC(=O)N1CC[C@]2(O)CCN(Cc3ccc(F)cc3Cl)C[C@@H]2C1 95369933 PEVKOYFCUJGOSS-RDTXWAMCSA-N 370.852 1.911 0 50 FDAA O=C1C[C@@H](C(=O)N2CCN(c3ccccn3)CC2)c2cc(F)ccc2N1 91755593 ACIGNFHECOYPQL-OAHLLOKOSA-N 354.385 1.995 0 50 FDAA Cc1cccc(CC(=O)N2C[C@H](CO)[C@H](CN3CCC(CO)CC3)C2)c1 95386531 MUKHGAXRRYKMBH-WOJBJXKFSA-N 360.498 1.309 0 50 FDAA CN1CC2(CCN(CCCn3cnnn3)CC2)C[C@H](c2ccccc2)C1=O 91725539 HGVQSEHTVIOUBY-GOSISDBHSA-N 368.485 1.791 0 50 FDAA CCn1ccnc1C1CCN(C(=O)c2cnc(N3CCOCC3)nc2)CC1 97179468 MNVJPDZGJXPVOP-UHFFFAOYSA-N 370.457 1.549 0 50 FDAA Cc1ncsc1CCC(=O)N1C[C@H](CO)C[C@H](CN2CCOCC2)C1 91950865 GNZVJMUNWNTLKA-HZPDHXFCSA-N 367.515 1.173 0 50 FDAA O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN1C(=O)c1ncn[nH]1 95498863 QWDNDLRZWJBUSJ-AWEZNQCLSA-N 351.370 1.234 0 50 FDAA Cc1noc([C@H](C)NC(=O)CCCn2nnc(-c3ccc(F)cc3)n2)n1 244873038 WJAOIURWYUDQOX-JTQLQIEISA-N 359.365 1.828 0 50 FDAA Cn1c(Cn2ccnc2)nnc1[C@H]1C[C@H](NC(=O)Cc2ccncc2)C1 252527836 DMBVFEVKSKBMAW-SHTZXODSSA-N 351.414 1.060 0 50 FDAA C[C@]12C[C@@H](O)[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CO 257348567 HAFVWTUQBYRPOB-ZIOBBAFDSA-N 364.482 1.573 0 50 FDAA endogenous,in-man CC(C)(C)OC(=O)N1CC[C@]2(O)CCN(C(=O)N3CCCC3)C[C@H]2C1 253495997 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O=C1NCCN2CCN(Cc3c(-c4ccccc4)nc4ncccn34)C[C@@H]12 65424271 CPRXHWRIOBCFFJ-KRWDZBQOSA-N 362.437 1.012 0 50 FDAA CNC(=O)c1ccc(NC(=O)N2CCN(c3ccncc3OC)CC2)cc1 431485067 TTYJWFOLQIUAOP-UHFFFAOYSA-N 369.425 1.804 0 50 FDAA CN1N=C(C(=O)N2CCC(Oc3ccccc3)(C(=O)O)CC2)CCC1=O 72431605 SZBAZMQBZBVRCQ-UHFFFAOYSA-N 359.382 1.119 0 50 FDAA CN1CC[C@H](c2nc(-c3ccc(OCC(F)F)cn3)no2)S1(=O)=O 351421628 RIIHEIIQZBSXPM-SNVBAGLBSA-N 360.342 1.482 0 50 FDAA NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)C(=O)c2ccc(O)cc2)c1 436677455 DACICBXQGQRXDT-QGZVFWFLSA-N 367.405 1.663 0 50 FDAA CCS(=O)(=O)N1C[C@H]2[C@@H](C1)OC(=O)N2CCCc1ccc(F)cc1 20538601 BDTRWYVZTUIROD-LSDHHAIUSA-N 356.419 1.613 0 50 FDAA CN(Cc1ccccn1)S(=O)(=O)c1sc2c(c1C(=O)O)CCNC2 67724765 HZVJAURPURURAJ-UHFFFAOYSA-N 367.452 1.308 0 50 FDAA COc1ccc(CN2C[C@H](C(=O)N3CC[C@H]([C@@H]4CCOC4)C3)CC2=O)cc1 333069842 KBWMVRDRBNGYOX-RCCFBDPRSA-N 372.465 1.929 0 50 FDAA COc1ccc(N2CCN(CC(=O)NCc3ccccn3)[C@H](C)C2=O)cc1 77453341 YFMQQALIEVLRPS-OAHLLOKOSA-N 368.437 1.444 0 50 FDAA Cc1c(C(=O)N2CCC[C@H]2C(=O)O)nnn1-c1cccc2ncccc12 237756153 GKDMNJDIEIFGIR-HNNXBMFYSA-N 351.366 1.813 0 50 FDAA Cc1ncsc1CCC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCN)C1 72431731 HLLLBTFRBQDASB-UONOGXRCSA-N 350.488 1.182 0 50 FDAA CC(C)c1nccn1[C@@H](C)C(=O)NCc1cc(N2CCOCC2)ncn1 72463470 RGIYKLLWMMLJEP-AWEZNQCLSA-N 358.446 1.511 0 50 FDAA CC(=O)C1(c2ccccc2)CCN(C(=O)CCCS(N)(=O)=O)CC1 72447613 BDTBSIMMIHSYKV-UHFFFAOYSA-N 352.456 1.205 0 50 FDAA Cc1nn(-c2ccccc2)cc1CN[C@@H]1CCN(c2ccn(C)n2)C1=O 360091404 CXEAZGPSBIWUCT-QGZVFWFLSA-N 350.426 1.809 0 50 FDAA C[C@H]1CN(C(=O)Cn2cc(NC(=O)c3ccnc(F)c3)cn2)C[C@@H](C)O1 151775629 MCBJHOLUOUNSRP-TXEJJXNPSA-N 361.377 1.305 0 50 FDAA O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)NCC1(O)CCOCC1 363638513 ITQAJWUKSSDDMC-SFHVURJKSA-N 361.486 1.739 0 50 FDAA Cc1cc(N)n(CC(=O)NCc2nc3cc(C(F)(F)F)ccc3n2C)n1 215697338 LQFFXEBOEZZSTF-UHFFFAOYSA-N 366.347 1.996 0 50 FDAA Cc1nccc(CN2CCC[C@@H](NC(=O)c3cc[nH]c3C3CC3)C2=O)n1 367538402 ONDYRVHKFSYYCV-MRXNPFEDSA-N 353.426 1.912 0 50 FDAA Cn1cccc1[C@H]1COCCN1C(=O)[C@H]1CCS(=O)(=O)c2ccccc21 367690911 UUBMGOPGCQBOGS-DOTOQJQBSA-N 374.462 1.886 0 50 FDAA Cc1ncn(-c2cc(C(=O)O)cc(S(=O)(=O)N3CCSCC3)c2)n1 71765057 ZULRHDKEJXLUOU-UHFFFAOYSA-N 368.440 1.011 0 50 FDAA CNc1cc(C)nc(N2CCN(Cc3cccc(OC)c3)[C@H](CCO)C2)n1 72411846 ISEQGSMZXSXPOA-QGZVFWFLSA-N 371.485 1.909 0 50 FDAA CNC[C@H]1CCCN1C(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1 262597811 ZPHYFLDWHYNKNJ-LLVKDONJSA-N 355.822 1.037 0 50 FDAA CC(C)(C)N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CC(N4CCCCC4)C2)[C@@H]3C1=O 77523390 CTIJBSVNDVGWCT-WCLQXYBISA-N 373.497 1.264 0 50 FDAA C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](n3cncn3)C2)C(=O)N1c1ccccc1 176137899 WLGLNMAZMYFTDS-PVAVHDDUSA-N 368.441 1.819 0 50 FDAA O=S(=O)(N[C@@H]1COCC[C@H]1OCc1ccccn1)c1cccs1 222758357 WPNRDUJQWCXZGM-ZIAGYGMSSA-N 354.453 1.796 0 50 FDAA CCOc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 44948320 AAWRXBRXFBQUJQ-HNNXBMFYSA-N 369.487 1.220 0 50 FDAA COCCN1C[C@@]2(CCCN(c3ncc(C)c(N(C)C)n3)C2)CCC1=O 82138439 OGAWGHFGIWXSJZ-LJQANCHMSA-N 361.490 1.706 0 50 FDAA Cn1cc([C@H](NC(=O)CCn2cnc3ccccc32)[C@H]2C[C@@H](O)C2)cn1 223055815 GXXPYWUHNIWHMD-ZXYWRSMDSA-N 353.426 1.788 0 50 FDAA CCN(C)C(=O)CN1CC[C@]2(CCCN(Cc3cccc(OC)c3)C2=O)C1 426386487 WKCJXMWVKRMHPH-OAQYLSRUSA-N 373.497 1.988 0 50 FDAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)c2cnc(O)cn2)C3)cn1 223830438 LNEQYFMPCILDLG-UHFFFAOYSA-N 352.354 1.174 0 50 FDAA CCC[C@@H]1CN(Cc2cnc(-c3ccco3)nc2)C[C@H]1NS(C)(=O)=O 82097522 RFZRLEOOKLJEKI-HUUCEWRRSA-N 364.471 1.886 0 50 FDAA O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccc(C(=O)O)nc1 265906106 FRJBXYRWGYKUTL-CQSZACIVSA-N 369.377 1.190 0 50 FDAA O=C(O)CC[C@@]1(CCC(=O)N2CCN(c3ccccc3)CC2)CCC(=O)N1 220501742 OOAMSGBYEVFFAX-FQEVSTJZSA-N 373.453 1.629 0 50 FDAA CCOc1ccc(C(=O)NCCNc2cc(N3CCOCC3)ncn2)cc1 82230680 MICNIUPLQHUHHI-UHFFFAOYSA-N 371.441 1.554 0 50 FDAA COc1ccc(CN(C)c2cc([C@H]3CCOC3)nc(NCCO)n2)cc1 426414440 PYCUVJRRHNUEGK-HNNXBMFYSA-N 358.442 2.030 0 50 FDAA C[C@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 239128693 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CC[C@@H](CC(F)F)C(=O)NC[C@@H](C)NC(=O)c1cnc2[nH]cnc2c1 1875333846 NSLWGNATVIJSOZ-ZJUUUORDSA-N 353.373 1.874 0 50 FDAA CCN(CC)CC(=O)N1CCC2(CC1)C[C@@H](O)c1nn(C(C)C)cc1O2 1875394747 VQAKXGXSDSQDAY-OAHLLOKOSA-N 364.490 1.983 0 50 FDAA COc1ccc(C(N)=O)cc1C(=O)N1CCC[C@@]1(CO)c1ccccc1 1875307538 PUGJKJNMFIWWPM-HXUWFJFHSA-N 354.406 1.918 0 50 FDAA O=C(N[C@@H]1CC[C@H]2SCCS[C@@H]12)N1Cc2nc(O)nc(O)c2C1 1875300393 BJMHZNAQWWETLS-IEBDPFPHSA-N 354.457 1.293 0 50 FDAA O=C1CC[C@](CO)(NCc2cccc(Oc3cccc(F)c3)c2)C(=O)N1 1875321018 QYTSIPYLHGVDRU-LJQANCHMSA-N 358.369 1.875 0 50 FDAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(N(C)C)cc3)CC2)C1 1875374346 LMJKOKKGTHBDSF-QGZVFWFLSA-N 370.497 1.826 0 50 FDAA CC(=O)NCc1cc(O[C@H]2CCN(C[C@H](O)c3ccccc3)C2)ccn1 886072149 XDIGAFGSGOAXDF-PMACEKPBSA-N 355.438 1.904 0 50 FDAA CNC(=O)CCCNC(=O)c1cc(I)ccc1O 277203470 FTGAZCWFYNUMPR-UHFFFAOYSA-N 362.167 1.253 0 50 FDAA Cc1ccccc1NCCn1c(C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 10049272 UZBYIKWNSWQMCG-UHFFFAOYSA-N 352.398 1.405 0 50 FDAA 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COC(=O)c1cccc(CN2CCN(c3ccnc(SC)n3)CC2)n1 65386769 ZRTNYZYANVEFCR-UHFFFAOYSA-N 359.455 1.702 0 50 FDAA CN[C@@H](C)C(=O)NCc1cccnc1N1CCN(c2ccccn2)CC1 67880106 DZESHYYHXHATBK-HNNXBMFYSA-N 354.458 1.027 0 50 FDAA CCC[C@@H]1COCCN1S(=O)(=O)c1sc2c(c1C(=O)O)CCNC2 67655106 MYJPULMFKWDRDL-SNVBAGLBSA-N 374.484 1.282 0 50 FDAA Cc1ccc(NC(=O)CC(=O)N2CCCN(C)C3(CCN(C)CC3)C2)cc1 67726136 SAHKQUYEPAZFTB-UHFFFAOYSA-N 372.513 1.952 0 50 FDAA CC(C)CC(=O)Nc1ccnn1C1CCN(Cc2c[nH]c(=O)[nH]c2=O)CC1 67946320 IYIQGJFAJLXNNU-UHFFFAOYSA-N 374.445 1.081 0 50 FDAA CCc1nc(N)sc1C(=O)N1CCn2nc(C(=O)N3CCCC3)cc2C1 65407537 XPQQKKYYXLGQID-UHFFFAOYSA-N 374.470 1.376 0 50 FDAA CN(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)c1ccc3occc3c1)CC2 65433383 NFTFNLCRMNHSNV-UHFFFAOYSA-N 352.394 1.823 0 50 FDAA Cn1cc(S(=O)(=O)Nc2ncn(Cc3ccccc3Cl)n2)cn1 2804039 WLMDICOTIZREON-UHFFFAOYSA-N 352.807 1.514 0 50 FDAA Cc1nn(Cc2nc3c4cnn(C)c4ncn3n2)c(C)c1Br 2800077 OFXZNTALLZXASW-UHFFFAOYSA-N 361.207 1.635 0 50 FDAA COC[C@H](Nc1nc(-c2ccncc2)nc2c1CNC2)c1ccnn1C 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CN1CCC(n2nc(C3CCCC3)nc2-c2c[nH]nc2-n2cnnn2)CC1 96138167 GKBIECYDQWCQCH-UHFFFAOYSA-N 368.449 1.568 0 50 FDAA O=C(CN1C(=O)CCNC1=O)N(Cc1ccccc1)Cc1nccs1 95510743 AJIMFASLRKGQCJ-UHFFFAOYSA-N 358.423 1.614 0 50 FDAA Cc1nc([C@H]2CCCN(c3ncc(F)c(N4CCCC4)n3)C2)cc(=O)[nH]1 96166708 HGPKGYIAERMQCI-ZDUSSCGKSA-N 358.421 1.992 0 50 FDAA CCN(C)C(=O)CN1CCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)CC1 91858947 DLGZFMLKUPAUEI-UHFFFAOYSA-N 373.501 1.468 0 50 FDAA O=S(=O)(Nc1cccnc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 298640496 DFSJZULSDXNMQI-UHFFFAOYSA-N 367.452 1.667 0 50 FDAA CCN1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 230102633 AFXBZVCDVMBTNZ-QWHCGFSZSA-N 373.432 1.655 0 50 FDAA COCCN(C)CC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 91829912 DUBXHYWXPYYBDN-PKOBYXMFSA-N 363.477 1.827 0 50 FDAA CN1C(=O)C[C@H](C(=O)O)C12CCN(C(=O)c1ccc(Cl)cc1)CC2 95378800 PUNPZDZFRXJTLM-CYBMUJFWSA-N 350.802 1.878 0 50 FDAA CN(Cc1n[nH]c2c1CCC2)C(=O)c1ccc(N2CC(=O)NC2=O)cc1 91665700 WXHUWQHPNDKPSC-UHFFFAOYSA-N 353.382 1.227 0 50 FDAA COc1cccc(-c2cc(CNC(=O)CN3CCC(C(N)=O)CC3)no2)c1 91474416 XQKLHTZXSXEVBA-UHFFFAOYSA-N 372.425 1.164 0 50 FDAA CCn1ncnc1[C@H](NC(=O)c1cn([C@H]2CC[C@@H](N)CC2)nn1)C1CC1 244633066 FVUBNLUJBXMZBA-VNHYZAJKSA-N 358.450 1.213 0 50 FDAA CCN(CC)C(=O)[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@H]2C[C@@H]1O 247962287 RAWGDJHFEWGEEX-ZACQAIPSSA-N 362.470 1.852 0 50 FDAA Cc1sc(=O)n(CC(=O)Nc2cccc(CN3CCNC(=O)C3)c2)c1C 291538016 UGOORJYOKKIWCG-UHFFFAOYSA-N 374.466 1.097 0 50 FDAA Cn1c(CNCCCN2CCCc3ccccc32)nnc1[C@H]1C[C@@H](N)C1 244874823 XHTFXGMZNXCLKM-CALCHBBNSA-N 354.502 1.952 0 50 FDAA Cc1c(C(=O)NCC[C@@H]2CCNC2)nnn1-c1ccc2ncccc2c1 178942632 SEAOWIHSUYSVIO-AWEZNQCLSA-N 350.426 1.853 0 50 FDAA C[C@@H]1CN(C2CCN(C(=O)c3cccc(-n4ccnc4)n3)CC2)CCO1 181182730 OWMATTDEERKWMJ-OAHLLOKOSA-N 355.442 1.593 0 50 FDAA CC(C)C(=O)N1CCn2nc(CNC(=O)NC[C@H]3CCCCO3)cc2C1 534673804 AFWQMAWFAXWGQJ-MRXNPFEDSA-N 363.462 1.250 0 50 FDAA COC[C@@H](NC(=O)c1cccc(-c2ccc(=O)n(C)n2)c1)c1ccnn1C 534647296 DXBWQEFRFZMHRX-MRXNPFEDSA-N 367.409 1.298 0 50 FDAA Nc1nscc1C(=O)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 299794584 KCLIMVMMGOUZKL-LWGFOQHQSA-N 369.494 1.023 0 50 FDAA COc1cccc(F)c1C(=O)N1CCCO[C@H](CN2CCOCC2)C1 299788177 SEYKBJAFFUKXTB-CQSZACIVSA-N 352.406 1.398 0 50 FDAA Cc1ncsc1CCCNC(=O)C1CCN(C(=O)[C@@H]2CCCO2)CC1 299795182 LDLVYVPACNYQKR-HNNXBMFYSA-N 365.499 1.918 0 50 FDAA Cc1ncsc1CCC(=O)N[C@@H]1CCN(Cc2cscn2)C[C@H]1O 299764763 KZGQLZULIOLRHL-ZIAGYGMSSA-N 366.512 1.592 0 50 FDAA Cn1cccc1-c1cc(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)n[nH]1 828211751 OZQAIKCPTASHCK-KGLIPLIRSA-N 363.421 1.836 0 50 FDAA CN(C)Cc1ccc(-c2nc(CC(N)=O)nn2C2Cc3ccccc3C2)o1 823709223 NBGHNNZUCLUDSN-UHFFFAOYSA-N 365.437 1.967 0 50 FDAA Cc1cc2[nH]c(CN3CCC(CNC(=O)c4ccco4)CC3)cc(=O)n2n1 952971454 OFCGEQGOOMBFLG-UHFFFAOYSA-N 369.425 1.566 0 50 FDAA CC(C)c1cc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(C(N)=O)cc2)no1 1565528549 ZSYJXMULYCJZFL-YOEHRIQHSA-N 373.409 1.863 0 50 FDAA CN(C)C(=O)CO[C@H]1COCC[C@@H]1NC(=O)c1csc2c1CCCC2 1565530358 BMLZAELXWRAXBD-GJZGRUSLSA-N 366.483 1.619 0 50 FDAA O=C1CCCN1C[C@@H](O)CN1CCN(CC(F)(F)F)c2ccccc21 170015444 TUAHKIUUMUVYBE-ZDUSSCGKSA-N 357.376 1.859 0 50 FDAA O=S(=O)(c1ccc2c(c1)OCCCO2)N1C[C@H](O)Cc2ccccc21 278712840 OEAPGPQSBOOGOE-CQSZACIVSA-N 361.419 1.960 0 50 FDAA CNS(=O)(=O)c1cccc([C@@H](C)N2C(=O)[C@H]3CCCCN3C2=O)c1 170592533 FKIUELZAYJXYQK-BXUZGUMPSA-N 351.428 1.472 0 50 FDAA COc1ccc(CCC(=O)N2C[C@H](Cc3cnccn3)[C@@H](O)C2)cc1OC 1616076894 BEHFMIFPENVHBV-RDJZCZTQSA-N 371.437 1.488 0 50 FDAA Cc1ccsc1[C@H]1CCN(C(=O)CSc2nnnn2C)C[C@@H]1O 212611975 XIIRUYJXJPDFID-QWRGUYRKSA-N 353.473 1.049 0 50 FDAA Cc1cccc(N2CCN(CC(=O)N(CCO)Cc3[nH]cnc3C)CC2)c1 1704305352 UZOATSMKSBDRPJ-UHFFFAOYSA-N 371.485 1.170 0 50 FDAA CCC(C)(C)NC(=O)CN1CC[C@](Cc2ccccc2)(C(=O)O)[C@@H](O)C1 1704313622 KDKKDLGRQWHWFL-OXJNMPFZSA-N 362.470 1.672 0 50 FDAA Cn1nccc1-n1nc([C@H]2CCOC2)nc1CCC(=O)N1CCCCCC1 1772807828 BPBZOSHGUYBGCY-HNNXBMFYSA-N 372.473 1.840 0 50 FDAA CN1CCC[C@H](C(=O)N2CCCN(Cc3cnn4cccnc34)CC2)C1 1775979633 XRMNMOFMAJQAOS-INIZCTEOSA-N 356.474 1.105 0 50 FDAA Cc1ccccc1CN1CCN2C(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H]2C1 14742563 NQBAOANGZHUFHO-WOJBJXKFSA-N 363.461 1.749 0 50 FDAA CCOC(=O)c1cnn(-c2ccc(F)cc2)c1CN1CCC(C(N)=O)CC1 14999490 GHIZFOMCPTZZEO-UHFFFAOYSA-N 374.416 1.885 0 50 FDAA CCOc1ccccc1CN1CCN(Cc2cnc(N)nc2)C[C@@H]1CCO 19773994 GNWUSKXMMJSBNF-SFHVURJKSA-N 371.485 1.526 0 50 FDAA Cn1c(=O)c2c3c(cnc2n(C)c1=O)C(=O)C[C@H](c1ccc(F)cc1)C3 19821175 IJHHBLVCZNRSHU-LLVKDONJSA-N 353.353 1.684 0 50 FDAA Cn1cc(-n2nc(CC(N)=O)nc2[C@]2(c3cccs3)CC2(C)C)cn1 1857679535 YFHSBTQMXUYBSF-QGZVFWFLSA-N 356.455 1.806 0 50 FDAA CCC(=O)N[C@H](C)C(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1 1857695275 CDKXKWSZMXQABG-CQSZACIVSA-N 354.454 1.929 0 50 FDAA NCc1nc(C(=O)N2CCC[C@@]3(CCc4c(O)nc(C5CC5)nc43)C2)co1 1857697103 VMSQMJOLIXYLSE-LJQANCHMSA-N 369.425 1.627 0 50 FDAA C[C@H](Cc1ccc2c(c1)OCO2)CN1CCC2(CC1)CNC(=O)CCO2 1857724271 SJAUYGJXYNYKBC-OAHLLOKOSA-N 360.454 1.965 0 50 FDAA CCc1cc(S(=O)(=O)N[C@@H]2C[C@H]3CO[C@@H](C)CN3C2)ccc1OC 1857726541 WLIAMJSPCJQTSU-CFVMTHIKSA-N 354.472 1.398 0 50 FDAA COc1ccc(-n2ncc(C(=O)N3CCCNCC3)c2C(F)(F)F)nn1 237524358 DIPKRMFHNXOSKF-UHFFFAOYSA-N 370.335 1.125 0 50 FDAA O=C(N[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](Oc2ccc(Cl)cc2)C1 333971983 WRFBCYUIZCIBBD-OCCSQVGLSA-N 358.847 1.690 0 50 FDAA CS(=O)(=O)CCn1ccc(NC(=O)c2cc(C3CCCCC3)n[nH]2)n1 135611904 YDYXUVDASSFAIW-UHFFFAOYSA-N 365.459 1.951 0 50 FDAA Cc1ccc(OCC(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)cc1 373024649 XYVKYEARHGNWJD-IFXJQAMLSA-N 356.426 1.443 0 50 FDAA O=C(N[C@H]1C[C@@H]1c1cccnc1)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F 907939541 DHIXIJJTPQCZCE-AESZEHBQSA-N 366.339 1.865 0 50 FDAA O=C(NCC1CCNCC1)NC[C@H](O)c1ccccc1Br 841924461 ZOFGJOGUKUTGST-AWEZNQCLSA-N 356.264 1.781 0 50 FDAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC(c3nnc(O)n3C)CC2)cc1 1875373959 WDGGQVVGOOPORZ-UHFFFAOYSA-N 369.425 1.689 0 50 FDAA C=CC(=O)N1CCC(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)CC1 1875363388 FWWXZNNJCOCDAG-SFHVURJKSA-N 369.465 1.718 0 50 FDAA CS(=O)(=O)NC(=O)COc1ccccc1OCc1ccc(F)cc1 1875390983 CZIIXOSTCFZJMO-UHFFFAOYSA-N 353.371 1.859 0 50 FDAA O=C(Cn1ncnn1)N1C[C@@H]2[C@@H]3CC[C@@H](CN3Cc3ccsc3)[C@H]2C1 1875407070 SFKZFKHTIFVLSS-FZKCQIBNSA-N 358.471 1.104 0 50 FDAA C[C@@H]1CN(C(=O)c2ccc(F)c(C(F)F)c2)C[C@H]1CS(N)(=O)=O 887870258 GDAXWVNFWPGFTM-SCZZXKLOSA-N 350.362 1.760 0 50 FDAA CCN1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)nn2)CC1 242776729 DVADJBWUQOAGQW-UHFFFAOYSA-N 355.398 1.600 0 50 FDAA COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCCSC)ccc1O 4113637 MRHGGJBAWQKNPK-CQSZACIVSA-N 352.412 1.935 0 50 FDAA Cn1nccc1[C@@]12CC[C@@H](C1)[C@@H]2C(=O)N1CCC[C@H](c2nnc(O)o2)C1 2325773480 GULZDEIZZRCASY-PZOITXESSA-N 357.414 1.583 0 50 FDAA Cn1cc([C@@H]2C[C@@H](C(=O)O)CN(S(=O)(=O)c3ccc(F)s3)C2)cn1 2325787353 VFJFKELYTJALFM-NXEZZACHSA-N 373.431 1.500 0 50 FDAA CCOC[C@H]1NC(=O)[C@H](CCc2ccc(Br)cc2)NC1=O 2325809175 MAGSEZWETVJKGU-QWHCGFSZSA-N 355.232 1.401 0 50 FDAA CCn1cc(CS(=O)(=O)Cc2c(C(F)(F)F)nn(C)c2Cl)nn1 899965375 HEZUVNMJHGAJJR-UHFFFAOYSA-N 371.772 1.819 0 50 FDAA O=C1c2ccccc2C(=O)N1CCNC1=NS(=O)(=O)c2ccccc21 1461787 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O=C(CN1CCCCCCC1)N[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1O 1565507613 ICTNZOJSLAVVJF-OALUTQOASA-N 373.497 1.644 0 50 FDAA O=C(O)c1ccc(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c(F)c1 269693754 KFLDTYQNGBTUPM-SNVBAGLBSA-N 355.347 1.483 0 50 FDAA CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1ccnc2c(C(N)=O)cnn12 276373611 RFPDCRXMCBHSRA-JTQLQIEISA-N 355.320 1.631 0 50 FDAA C[Si](C)(c1ccc(C(=O)N2CCOCC2)cc1)c1ccccc1CO 169745268 ITKUNQHYZZEBIX-UHFFFAOYSA-N 355.510 1.474 0 50 FDAA in-vitro CNC(=O)Cn1cc(NC(=O)[C@@H](c2ccc(F)cc2)N2CCCCC2)cn1 1529134165 NHYFUBTXQSGKTP-GOSISDBHSA-N 373.432 1.934 0 50 FDAA O=C(O)[C@@]1(Cc2ccccc2)CCN(C(=O)[C@H]2CC[C@@H](O)CC2)C[C@H]1O 1704301200 OUVVVTBLYURZMH-AXVVYFOYSA-N 361.438 1.444 0 50 FDAA COc1cccc(CNC2CCCC2)c1OC[C@@H](O)CN1CCOCC1 11661717 SUVMBSGJLBGZNI-SFHVURJKSA-N 364.486 1.799 0 50 FDAA CCCNC(=O)c1cc(S(=O)(=O)N2CCSCC2)ccc1OC 16661454 WKURLTVJXZOOPO-UHFFFAOYSA-N 358.485 1.573 0 50 FDAA COc1cc(C(=O)N[C@H]2C[C@H](Cn3ccnc3)C[C@@H]2O)cc(F)c1F 1857527557 LTZPUGZXNSFIGD-BPNCWPANSA-N 351.353 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CC(C)(C)N1C[C@@H](C(=O)N2CCCN(Cc3ccccn3)CC2)CC1=O 91650154 APSJMZJGFOYERZ-INIZCTEOSA-N 358.486 1.763 0 50 FDAA CN1C(=O)[C@H](CC(=O)NCc2nn(C)c3cccc(Cl)c23)N(C)C1=O 91894983 ZTZYPFMRQKZBHB-LBPRGKRZSA-N 363.805 1.125 0 50 FDAA COC[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)NCC(F)F)cc2)C1 91706516 DCRFTNMDIYHFTL-LLVKDONJSA-N 362.398 1.339 0 50 FDAA CN1CCCN(CCC(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)CC1 96180320 HMCFTHCYHWIFDE-ZWKOTPCHSA-N 359.470 1.341 0 50 FDAA COc1cc([C@@H]2CC(O)=c3cc4c(cc3=N2)OCO4)cc2c1OCCO2 230157001 ZNJZUNBBHZXMOI-LBPRGKRZSA-N 355.346 1.626 0 50 FDAA Cc1nc(N(C)C)ncc1C(=O)NCC1(N2CCN(C)CC2)CCCC1 97729570 PAMVEUIZYIHJRZ-UHFFFAOYSA-N 360.506 1.141 0 50 FDAA CCN1CCN(C[C@@H]2CN(Cc3cc4ccccc4n3C)C[C@@H]2CO)CC1 95379409 KQLCGZSAAQPBJH-WOJBJXKFSA-N 370.541 1.856 0 50 FDAA O=C(NCCCc1nnc2ccccn12)[C@H]1CC(=O)N(C2CCCC2)C1 91575297 KTDMBIDFLLFNGM-AWEZNQCLSA-N 355.442 1.569 0 50 FDAA Cc1cnc(CNC(=O)c2ccc3c(c2)nc(N2CC[C@H](O)C2)n3C)cn1 95363714 JJPGDCYROMBRTL-HNNXBMFYSA-N 366.425 1.173 0 50 FDAA 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COc1ccnc(N2CCN(C(=O)c3cc(C(C)(C)C)nc(O)n3)CC2)n1 299770387 RWCJOBSTLWENKW-UHFFFAOYSA-N 372.429 1.241 0 50 FDAA O=C1COc2cc(C(=O)NCc3csc(-c4cnccn4)n3)ccc2N1 828290508 YYQITBLXOWCXSV-UHFFFAOYSA-N 367.390 1.861 0 50 FDAA CCCN1C[C@@H](NC(=O)c2cccc(-c3cnc4nncn4c3)c2)CC1=O 584889872 VVNARDWNAAXEPW-INIZCTEOSA-N 364.409 1.532 0 50 FDAA CN(C)C[C@@]1(CO)CCCN(C(=O)CCC(=O)N2CCCCCC2)C1 670451597 RHTBZYFMHJJDHR-IBGZPJMESA-N 353.507 1.332 0 50 FDAA COc1cc(CN2CC[C@@H](Nc3cc(C)nc(CO)n3)C2)cc(OC)c1 1324338931 FCJRXRVYAIDHDG-OAHLLOKOSA-N 358.442 1.981 0 50 FDAA O=C(CCNC(=O)c1ccccc1F)Nc1ccc(Oc2nn[nH]n2)cc1 952970761 PSFHFWVOEFFTPZ-UHFFFAOYSA-N 370.344 1.890 0 50 FDAA O=C(c1cnc(O)[nH]1)N1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2 1565506520 DDDVLXIUEHKXTM-CJNGLKHVSA-N 352.438 1.819 0 50 FDAA COC[C@H]1[C@H](NS(=O)(=O)c2cc(OC)c(C)cc2C)[C@H]2CCO[C@H]21 1565525758 ULAGMQVYRCFUOH-DLTLXFJOSA-N 355.456 1.640 0 50 FDAA C[C@@H]1C[C@H](O)CN1C(=O)CC1(CC(=O)N2C[C@H](O)C[C@H]2C)CCCCC1 408292187 BWAGGAVFJYEVIA-VQHPVUNQSA-N 366.502 1.681 0 50 FDAA O=C(c1ccc(O)cc1)N1CCN(C(=O)[C@H]2CCc3[nH]ncc3C2)CC1 270509213 ZXEXCTXOTRCBKJ-AWEZNQCLSA-N 354.410 1.205 0 50 FDAA Cc1cc2c(N3CCN(CC(=O)Nc4cc(C)on4)CC3)nccn2n1 274689325 QDCGADJPCHEFLH-UHFFFAOYSA-N 355.402 1.095 0 50 FDAA C[C@H]1CN(C(=O)c2cn(-c3cccc(Cl)c3)nn2)CCS1(=O)=O 187150081 YLJPDUPCDYLRFZ-JTQLQIEISA-N 354.819 1.180 0 50 FDAA CO[C@H]1C[C@H](C(=O)NCC[C@H](C)[S@@](C)=O)N(C(=O)OC(C)(C)C)C1 170611233 WKIYFDXIQWRBKV-SCLQEMBFSA-N 362.492 1.284 0 50 FDAA O=C(Cn1nnn(-c2ccccc2)c1=O)N1CCC[C@H](C(F)(F)F)C1 193716458 UDVFVUHTUIMQGZ-NSHDSACASA-N 355.320 1.230 0 50 FDAA Cc1nnc(CN2CCN(C(=O)Nc3cnn(C(F)F)c3)CC2)n1C 772484462 ZWDMMGGOWDYRCU-UHFFFAOYSA-N 354.365 1.065 0 50 FDAA Cc1oc(-c2cccs2)nc1-c1nccn1[C@H]1CS(=O)(=O)C[C@@H]1O 216608726 LVLUENHXQWRWND-QWRGUYRKSA-N 365.436 1.905 0 50 FDAA O=C(C[C@H]1CCc2ccccc21)N1CCCN(CCn2cnnc2)CC1 1529172065 GPWIMWDLPGUQGX-GOSISDBHSA-N 353.470 1.933 0 50 FDAA CN1CCC[C@]2(C(=O)O)CCN(C(=O)c3cc4c(nc3O)CCCC4)C[C@@H]12 1529174440 SIDPPAUZWZPRRC-UZLBHIALSA-N 373.453 1.677 0 50 FDAA CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)CN2C(=O)c1n[nH]c2ccccc12 219941183 VHGNCHQCXIPWSV-KGLIPLIRSA-N 355.442 1.188 0 50 FDAA CCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)Nc2c(CC)c(CC)nn2C)[C@@H]3C1=O 1529197307 ODTBPXBCZHFSCU-MFCZKXCZSA-N 372.469 1.675 0 50 FDAA Nc1ncc2c(n1)[C@@]1(CCCN(CCn3c(=O)oc4ccccc43)C1)CC2 1704314903 XTGXJZQFTOQHLR-FQEVSTJZSA-N 365.437 1.947 0 50 FDAA Cc1nc(O)nc(C)c1CCC(=O)N1C[C@@H](O)[C@H](Cc2ccncc2)C1 1704341480 TYQNITSDSQUSFC-NVXWUHKLSA-N 356.426 1.189 0 50 FDAA CC(=O)Nc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)NCCO)cc1 2330270 MZLGPCCIALMABH-QGOAFFKASA-N 367.405 1.524 0 50 FDAA Cc1cccc(N(Cc2nc(C)nn2[C@@H]2CCOC2)S(C)(=O)=O)c1 1772804132 HBUXRMAXNHZXAM-OAHLLOKOSA-N 350.444 1.823 0 50 FDAA COc1ccc(CCN2C[C@H](C(=O)NC3CCOCC3)CCC2=O)cc1 12440000 HFNSHBUUXHEEJX-MRXNPFEDSA-N 360.454 1.772 0 50 FDAA CC(C)CN1C[C@@H](CN2CCCC2)C[C@@H](C(=O)NC[C@H]2CCCO2)C1 14747989 PTGGAOVRDVLEBN-GUDVDZBRSA-N 351.535 1.972 0 50 FDAA COC(=O)CCC1CCN(C(=O)CN2C(=O)COc3ccccc32)CC1 19720888 YKTVYQSIVVDMTC-UHFFFAOYSA-N 360.410 1.604 0 50 FDAA O=C(N[C@H]1C[C@H](Cn2ccnc2)C[C@@H]1O)c1ccc(-n2cccn2)cc1 1857527066 RWVFWLCPACIOHP-WBAXXEDZSA-N 351.410 1.638 0 50 FDAA NC(=O)COc1cccc(C(=O)N2CCc3[nH]nc(C4CC4)c3CC2)c1 1857682063 MSNPNTPIFKFSGF-UHFFFAOYSA-N 354.410 1.392 0 50 FDAA Cc1c[nH]c(-c2nccn2-c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)n1 1857687077 KCWFLROLQFBNJF-ZDUSSCGKSA-N 360.443 1.744 0 50 FDAA CN(C)C[C@@H]1OCCN(C(=O)C2Cc3ccccc3C2)[C@H]1c1cnn(C)c1 1857710239 NGAMAIYPSHXJBJ-PMACEKPBSA-N 368.481 1.665 0 50 FDAA Cn1ccnc1CNC(=O)[C@@H]1CC(=O)N(c2nc3ccccc3s2)C1 1857740333 NVIKCLKDWVOPLH-LLVKDONJSA-N 355.423 1.699 0 50 FDAA O=C(c1cccnc1N1CCN2[C@@H](C3CC3)COC[C@H]2C1)N1CCCC1 1875242890 GXAQQAVUCYUVPB-SJLPKXTDSA-N 356.470 1.617 0 50 FDAA O=C1[C@H]2CN(c3nccc(C4CCCC4)n3)C[C@@]2(C(=O)O)CN1CC1CC1 212973959 MUMZVLHQSGGDFU-QRWLVFNGSA-N 370.453 1.894 0 50 FDAA O=C(Nc1cccc(S(=O)(=O)N2CCC[C@@H](O)C2)c1)c1ccccn1 408520887 AAUNJXZGUILVLG-CQSZACIVSA-N 361.423 1.479 0 50 FDAA Cn1ccnc(NC[C@@H]2CN(Cc3cc4ccccc4o3)CCO2)c1=O 328636240 NYRDBTDDOMOVQE-MRXNPFEDSA-N 354.410 1.839 0 50 FDAA COC(=O)[C@@]1(C)CCCN(S(=O)(=O)N2CCc3ccccc3C2)C1 332542153 YJXWGOIHIZFHMY-KRWDZBQOSA-N 352.456 1.565 0 50 FDAA Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2c(C)noc2C)n(C)n1 248023779 ITTWVRNNWZUPAQ-CABCVRRESA-N 371.441 1.597 0 50 FDAA CS(=O)(=O)N(CCn1nnnc1Cc1ccccn1)Cc1ccccc1 804908347 HMVSNKDXDUPZIN-UHFFFAOYSA-N 372.454 1.121 0 50 FDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(c3cc(C(N)=O)ccn3)C1)CC2 1704308392 QARGMHGKTXNIRG-IBGZPJMESA-N 352.442 1.521 0 50 FDAA Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)C2CCC(C(C)(C)O)CC2)cn1 862920758 AAHUXFYNAXSPJN-FPCDFSMTSA-N 351.447 1.260 0 50 FDAA Cc1cccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCCC(=O)N3C)C2)c1C 1875327424 WBKWVTRWGVRZSR-BFYDXBDKSA-N 357.454 1.691 0 50 FDAA C[C@]1(c2ccc(C(=O)N[C@H]3COC4(CCCCC4)C3)cc2)NC(=O)NC1=O 1875302561 WOMHSLIATYIDEC-DNVCBOLYSA-N 371.437 1.963 0 50 FDAA Cc1cc(O)c(C(=O)N[C@@]2(C)CCN(c3nnc(C(F)F)o3)C2)nn1 1875406178 YZRCLYQTNLFZTP-AWEZNQCLSA-N 354.317 1.210 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1cccc(-n2cncn2)c1 1875403289 RYZHLNSKLQJUIE-KBRIMQKVSA-N 352.398 1.033 0 50 FDAA CC(C)n1ccc(CC(=O)N[C@@H]2C[C@@H](Cn3cc(Cl)cn3)C[C@H]2O)n1 1875402315 FPHMHJCNMGQOOD-DAXOMENPSA-N 365.865 1.812 0 50 FDAA CCOC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)CC1 1430373 GMBUIFUYPHBHDD-UHFFFAOYSA-N 366.439 1.169 0 50 FDAA COc1cc(-n2c(C)cc3c(cnc4ncnn43)c2=O)cc(OC)c1OC 38784010 ZHORBPYSQNQNQV-UHFFFAOYSA-N 367.365 1.763 0 50 FDAA O=C(CCC(=O)N1CCN(c2ccccn2)CC1)N[C@@H]1CCCCNCC1 2325760827 NKDHIMMBWGZMMH-QGZVFWFLSA-N 373.501 1.159 0 50 FDAA CC(C)n1cc([C@H]2C[C@H]2C(=O)N2CC3(C2)NC(=O)c2ccccc2N3)cn1 2325786701 UOOGHJMRKUHZTN-HZPDHXFCSA-N 365.437 1.962 0 50 FDAA O=C1N[C@@H](Cc2cnc3ccccc3c2)C(=O)N2CC3(CCC3)OC[C@H]12 2325808999 QLNBFULZWSAMDG-DLBZAZTESA-N 351.406 1.426 0 50 FDAA COc1cc(OC)cc([C@H](O)CNC(=O)c2cccc3c2CCNC3)c1 852811896 LUAUECYXHIVTQD-LJQANCHMSA-N 356.422 1.813 0 50 FDAA C[C@H](O)c1n[nH]c([C@H](C)NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 2325852245 XGAVOGACBJBDFS-SGMGOOAPSA-N 357.414 1.084 0 50 FDAA O=C(O)[C@H](NC(=O)C1(n2ccnn2)CC1)c1ccc(OCC(F)F)cc1 2325876467 WKTZILMXTRXINW-CYBMUJFWSA-N 366.324 1.353 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)Nc2ccc(F)cc2NS(C)(=O)=O)C1 2325888280 BVHJQTKLUSZKLI-NSHDSACASA-N 369.418 1.560 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)Nc2cc(N3CCNC3=O)ccc2C)C1 2325889209 FQUKVBXTIUZMSD-AWEZNQCLSA-N 356.426 1.888 0 50 FDAA CN(C)S(=O)(=O)N1CCC[C@@]12CCCN(Cc1ccccc1)C2=O 2356163010 PBPGPSQXQPCEPD-QGZVFWFLSA-N 351.472 1.450 0 50 FDAA O=C(O)CNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 4671588 NVFZCMIGMKUQKF-UHFFFAOYSA-N 369.402 1.679 0 50 FDAA O=C(NC1CC1)[C@@H](c1ccc(F)cc1)N1CCC(c2n[nH]c(=O)o2)CC1 225844707 PCOSZPAWUBLCKZ-OAHLLOKOSA-N 360.389 1.701 0 50 FDAA Cc1cccc(CN2CCC[C@@](O)(CN3CCN(CC4CC4)CC3)C2=O)c1 22851468 JGBLMGAAMAFCDM-JOCHJYFZSA-N 371.525 1.876 0 50 FDAA CCNc1cc(C)nc(NCCNS(=O)(=O)c2ccc(F)cc2)n1 65362928 LEWHFIYYQBLGMH-UHFFFAOYSA-N 353.423 1.746 0 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CN(C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C1C2CC3CC(C2)CC1C3 328712227 CHARFIADNUJCME-PKSOCPPESA-N 354.516 1.388 0 50 FDAA Cn1cnc2cc(C(=O)N[C@@H]3CCN(Cc4ccc(F)cc4)C3=O)cnc21 252508840 XVNTWMAVRLANOH-OAHLLOKOSA-N 367.384 1.638 0 50 FDAA Cn1cc(NC(=O)c2ccc(COCC(F)(F)F)cc2)c(C(N)=O)n1 2798628 VGOMEKQOGMDSSS-UHFFFAOYSA-N 356.304 1.850 0 50 FDAA Cn1cc([C@@H](NC(=O)CCn2cnc3ccccc32)C2CC(O)C2)cn1 219118588 GXXPYWUHNIWHMD-XBMPDCEQSA-N 353.426 1.788 0 50 FDAA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)COCc1nc3ccc(F)cc3[nH]1)C2 71770998 JKEABVBYMJJGPN-UHFFFAOYSA-N 371.372 1.195 0 50 FDAA O=C(Cn1ncc2ccccc21)N[C@@H]1COCC[C@H]1Oc1ccccn1 219140819 YEIJVLDUISXSMB-NVXWUHKLSA-N 352.394 1.784 0 50 FDAA O=C1NC(=O)[C@H](CCC(=O)N2CCCN(CCCc3ccccc3)CC2)N1 72476550 MLNHEWKRWAPGMY-KRWDZBQOSA-N 372.469 1.142 0 50 FDAA C[C@H](NC(=O)c1ccc(=O)n(C)c1)c1cc(F)ccc1N1CCN(C)CC1 120225343 HMPDSHAUNTVJBP-AWEZNQCLSA-N 372.444 1.767 0 50 FDAA COc1ccccc1C(=O)NC[C@]1(O)CCCN(C(=O)c2ccc[nH]2)CC1 72153141 PJPXBERRSCUPAI-FQEVSTJZSA-N 371.437 1.811 0 50 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O=S(=O)(NCC1(N2CCOCC2)CC1)C1CCC(C(F)(F)F)CC1 333050329 GMCITMLQERDFSS-UHFFFAOYSA-N 370.437 1.892 0 50 FDAA Cc1nc(Cn2nnc([C@H]3CN(Cc4ccccc4)CCO3)n2)oc1C 372586564 SYNIOWDNVIBQMP-MRXNPFEDSA-N 354.414 1.900 0 50 FDAA CNCCNC(=O)C[C@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21 71422201 CZDUODRRXZJSFT-NRFANRHFSA-N 351.450 1.869 0 50 FDAA O=C(c1ccc(F)cc1)N1CCCN(C(=O)[C@@H]2CC23CCNCC3)CC1 237815330 IOIGCVJPIYZHCT-KRWDZBQOSA-N 359.445 1.890 0 50 FDAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)c2cnn3ccc(C)nc23)c1 282618581 VTTJVKQAGRLNCY-PBHICJAKSA-N 352.394 1.994 0 50 FDAA Cc1cc(NC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc(N2CCN(C)CC2)c1 242339257 ZGHAJGOXLGIAHF-MRXNPFEDSA-N 371.485 1.632 0 50 FDAA Cc1ccc(CN2CCC[C@]3(C2)NC(=O)NC3=O)c(-c2cnn(C)c2)c1 282821558 PJKKAXSERDUDIC-LJQANCHMSA-N 353.426 1.570 0 50 FDAA COC(=O)c1ccc(N2CCN(C(=O)Cn3cc(Cl)cn3)CC2)cc1 82109045 XFENOUVHIKYCSS-UHFFFAOYSA-N 362.817 1.672 0 50 FDAA COC(=O)[C@@](NC(C)=O)(Nc1ccc(Br)cn1)C(F)(F)F 19831590 ACTCWGQGGHXOAJ-SNVBAGLBSA-N 370.125 1.824 0 50 FDAA Cc1ccc(Cn2nc(C)c(CCC(=O)N3C[C@@H](CO)[C@@H](O)C3)c2C)cc1 458020656 GENXSTSHLVBQMM-ICSRJNTNSA-N 371.481 1.601 0 50 FDAA Cn1cc([C@@H](NC(=O)CCn2cnc3ccccc32)[C@H]2C[C@@H](O)C2)cn1 223055756 GXXPYWUHNIWHMD-RFUYNDQBSA-N 353.426 1.788 0 50 FDAA COc1cc(Cl)ccc1C(=O)N1CCC2(CC1)C(=O)NCCCN2C 221253810 AJGBHCSPWGEQGQ-UHFFFAOYSA-N 365.861 1.775 0 50 FDAA Cn1nccc1[C@@H]1NC(=O)CC[C@H]1NCc1cnn(-c2ccccc2)c1 284498131 KEFDUXMMYFFVCN-VQIMIIECSA-N 350.426 1.715 0 50 FDAA O=C(COc1ccc2nncn2n1)N[C@@H](Cn1cccn1)c1ccccc1 221325359 AZJJDJMUXZXZDQ-HNNXBMFYSA-N 363.381 1.257 0 50 FDAA CCc1nc(S(=O)(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)c[nH]1 220620794 BCPYWAOSPAXXCN-CABCVRRESA-N 365.455 1.625 0 50 FDAA Cc1cc([C@@H](NS(=O)(=O)c2c(C)cnn2C)C(=O)O)ccc1Cl 284905334 BABYKQHYHYKLMB-GFCCVEGCSA-N 357.819 1.795 0 50 FDAA CCN1CC[C@H](NC(=O)c2cccc(N3N=C(C)[C@@](O)(CC)C3=O)c2)C1 220057864 HULGZUIIFHJSHC-KXBFYZLASA-N 358.442 1.374 0 50 FDAA CC(=O)N1CCC[C@@](O)(C(=O)Nc2cnn(-c3ccc(C)cc3C)c2)C1 285544731 OJZZARXMWQARAQ-IBGZPJMESA-N 356.426 1.801 0 50 FDAA CC(=O)N1CCCn2nc(CNC(=O)[C@H]3COc4ccccc4C3)cc2C1 82096921 IUEMPQJVVHYMJO-MRXNPFEDSA-N 368.437 1.503 0 50 FDAA Cc1nc(CSc2nnc(C3CCNCC3)n2C[C@@H]2CCCO2)no1 426624721 DIMHQPJHRMAKLG-ZDUSSCGKSA-N 364.475 1.908 0 50 FDAA O=C(Cn1nc2c(cc1=O)CCCCC2)NC[C@H]1CC[C@H](C(=O)O)CC1 238900194 HXGCVOPEKUHPEP-HDJSIYSDSA-N 361.442 1.519 0 50 FDAA O=C(N[C@H]1C=CS(=O)(=O)C1)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 97480076 ONDKWTMMIVWEBJ-HHUWHTLVSA-N 362.455 1.001 0 50 FDAA CCCCn1ccnc1[C@H]1CCCN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 95359610 PXXAMETZJDPXLY-AWEZNQCLSA-N 373.457 1.317 0 50 FDAA CN(C)C(=O)N1CC[C@]2(O)CCN(C(=O)c3ccc(N(C)C)cc3)C[C@@H]2C1 91757509 UQOMDDPWSYTQRU-OXQOHEQNSA-N 374.485 1.333 0 50 FDAA COCCCNC(=O)c1ccc(S(=O)(=O)N2CCSCC2)cc1 92038743 ZVGGWXFDDCJVHF-UHFFFAOYSA-N 358.485 1.190 0 50 FDAA COCC(=O)N1C[C@@H]2CN(Cc3ccc(F)cc3Cl)C[C@]2(C(=O)O)C1 96166847 ZKUGQEXEZZKAIL-SJCJKPOMSA-N 370.808 1.471 0 50 FDAA N[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2F)C[C@@H]1c1ccccc1 91624762 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Cn1cnc2cc(C(=O)N[C@H]3COCC[C@@H]3Oc3ccccn3)ccc21 1565514373 ISNHWWSTQLWMME-RDJZCZTQSA-N 352.394 1.935 0 50 FDAA Cc1ccn2cc(CN3CC[C@H](NC(=O)c4ccccn4)[C@@H](O)C3)nc2c1 1565531160 GOJZDDJSNIVVCT-WMZOPIPTSA-N 365.437 1.403 0 50 FDAA COCCN1C[C@H]2CN(Cc3nc(C(C)C)cs3)C[C@@]2(C(=O)O)C1 1565528874 FWAQVERWBDPOBD-GUYCJALGSA-N 353.488 1.731 0 50 FDAA Cc1nc(N2CCCCC2)ncc1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N(C)C 1565506987 VLAAAWHBOIMYJI-ORQFMDKSSA-N 359.474 1.223 0 50 FDAA O=C(c1cccc(-n2cccn2)c1)N1CC[C@H](Nc2ncccn2)[C@@H](O)C1 1565525137 JCHCDQQWCXITBT-IRXDYDNUSA-N 364.409 1.350 0 50 FDAA CN(C)c1ccc(C(=O)NCC(C)(C)N2CCS(=O)CC2)c(F)c1 269830642 FUGKLGMHIQSQRH-UHFFFAOYSA-N 355.479 1.464 0 50 FDAA Cc1nn(C)cc1NC(=O)CN1CCN([C@@H]2CCc3ccccc3C2)CC1 1506398226 NGEQEVVUETXWIZ-LJQANCHMSA-N 367.497 1.842 0 50 FDAA CN(C(=O)CCc1nc(-c2ccco2)no1)[C@]1(C)CCS(=O)(=O)C1 1506420760 AOJDXPKRAYDDMP-OAHLLOKOSA-N 353.400 1.298 0 50 FDAA CCN1C[C@]2(C(=O)O)CN(C(=O)c3cccc4c3NCCC4)C[C@@H]2C1=O 215173154 MIEAFUXVJSEZEU-KUHUBIRLSA-N 357.410 1.050 0 50 FDAA CCc1ocnc1C(=O)N1CC[C@H](CNC(=O)C2CCCCC2)[C@@H](O)C1 215360492 WXQFPCSCKZMULF-CABCVRRESA-N 363.458 1.757 0 50 FDAA COc1ccccc1-c1ncc(CN2CC[C@]3(CNC(=O)CO3)C2)s1 1772812055 HBMPCPHLOMEDOE-SFHVURJKSA-N 359.451 1.910 0 50 FDAA Cc1noc(C)c1-c1nc2c(s1)CC[C@@H](C(=O)NCc1nc(N)n[nH]1)C2 1772812155 CMJDDTSXKHTSIB-SECBINFHSA-N 373.442 1.537 0 50 FDAA O=C([C@H]1CCOC1)N1CCCN(S(=O)(=O)c2ccccc2F)CC1 1775979982 QZEHVJYWFRKCFP-ZDUSSCGKSA-N 356.419 1.085 0 50 FDAA O=C(O)c1ccc(N2C[C@H]3COC[C@@H]2CN(Cc2ccccn2)C3)nc1 1772701894 NLHXGIUKELIZQA-YOEHRIQHSA-N 354.410 1.512 0 50 FDAA CCc1ccccc1OCCN1CCCN(C(=O)[C@@H]2CNC(=O)C2)CC1 1775983435 XKAKNNQMCHCRDA-KRWDZBQOSA-N 359.470 1.298 0 50 FDAA CCN(CC)S(=O)(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1C 11978681 FANBPDXNHLCDFQ-GFCCVEGCSA-N 374.484 1.338 0 50 FDAA CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCOCC2)ccc1OC 13581445 KIDUFOPSUVZEHK-UHFFFAOYSA-N 356.444 1.198 0 50 FDAA CCc1ccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@H](C(C)C)C(=O)N3C2)cc1 14533066 WOUGXKOUFCJBJE-HRCADAONSA-N 358.442 1.494 0 50 FDAA COc1cc(C(=O)N2CCN3C(=O)OC[C@@]3(Cc3ccccc3)C2)ccn1 1857680216 IGMLFAHIHMUOON-HXUWFJFHSA-N 367.405 1.980 0 50 FDAA CC[C@H]1[C@@H](C(=O)OC)C[C@H]2CN(C(=O)CCc3cccnc3)CC(=O)N21 1857711985 BNQMUCHTYZXZKE-JYJNAYRXSA-N 359.426 1.025 0 50 FDAA O=C(c1ncc[nH]c1=O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857715165 FLGDKKDNVJXISG-WMZOPIPTSA-N 368.437 1.448 0 50 FDAA CCOCCNC(=O)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857725403 VASQAMUTMFRHEO-CQSZACIVSA-N 374.466 1.635 0 50 FDAA O=C1N[C@@H]2COC[C@H]1CN(Cc1cccc(OCCCn3ccnc3)c1)C2 1875247529 IZJBPMWQEYFZDA-MSOLQXFVSA-N 370.453 1.299 0 50 FDAA CCN(CC(N)=O)C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 225613366 BYIQJBOIUCGVJV-UHFFFAOYSA-N 361.423 1.435 0 50 FDAA CCc1nn(C)cc1C(=O)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1 328615694 BAFGWLFRKWXZKM-QGZVFWFLSA-N 370.457 1.586 0 50 FDAA Cc1nn(C)c2ncc(S(=O)(=O)N(C)C[C@H]3CCc4nccn4C3)cc12 328637915 WCCPJKHPVPNCNW-CYBMUJFWSA-N 374.470 1.356 0 50 FDAA N[C@@H]1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 237909684 BFZSVRWZQAQBSU-CYBMUJFWSA-N 356.875 1.986 0 50 FDAA CON1CCC(NC(=O)N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC1 817174010 WGACOCDNHLVMBN-CQSZACIVSA-N 356.467 1.663 0 50 FDAA COCC[C@H]1CCN(c2cc(C(=O)N[C@@H](CO)CSC)ccn2)C1 1875356497 OGJMFVUTWGZQMV-HIFRSBDPSA-N 353.488 1.398 0 50 FDAA C[C@H]1[C@H](C(=O)NC23CCC(n4cc(-c5cn[nH]c5)nn4)(CC2)C3)CCN1C 1875356915 RJKDJPZUOIGEAD-YYQHOWSJSA-N 369.473 1.536 0 50 FDAA C=CC(=O)N[C@H]1C[C@@H](NC(=O)CNC(=O)Cc2ccccc2)C12CCC2 1875386368 OLNFFVNNDQSKTM-JKSUJKDBSA-N 355.438 1.075 0 50 FDAA O=C(COCc1ccc(C(F)(F)F)cc1)NC[C@@H]1C[C@H]2COC[C@@H]2N1 1875337682 ZFHMYIORUXEKCO-QEJZJMRPSA-N 358.360 1.715 0 50 FDAA CCc1cccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@@H]3[C@H](C)O)C2(C)C)n1 1875407054 RXGHGHDTMKGRFX-CRNXPOROSA-N 359.470 1.770 0 50 FDAA CN1C(=O)CC[C@H](C(=O)Nc2cc(C3CC3)n(C)n2)[C@H]1c1ccnn1C 886078236 QFIXFLNSNXOKHB-SJCJKPOMSA-N 356.430 1.579 0 50 FDAA Cn1ncc(C(=O)O)c1C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 20617716 WJVKCEOMQKLDOO-HNNXBMFYSA-N 356.426 1.760 0 50 FDAA COC(=O)C1CC2(C1)C[C@@H](N=c1nc(C)nc(N(C)C)[nH]1)CCS2 2325764737 RZYKIRNFCMETAC-BGMSHATGSA-N 351.476 1.297 0 50 FDAA Cc1nc2c(c(N[C@H]3CCN(c4cc(=O)n(C)c(O)n4)C3)n1)CCCC2 2325785640 HEIHVZQOZXFPEM-LBPRGKRZSA-N 356.430 1.154 0 50 FDAA C[C@@H]1C[C@@H]2CN(c3ccc4nnc(-c5ccc(F)cc5)n4n3)CCN2C1=O 2325789867 SOGRSIXGSOXWKG-IUODEOHRSA-N 366.400 1.987 0 50 FDAA C[C@@H](CNC(=O)c1cn2cc[nH]c(=O)c2n1)Cn1cc(C(F)(F)F)cn1 2325791009 INQOZFMVRZYZIA-VIFPVBQESA-N 368.319 1.304 0 50 FDAA CO[C@@H]1C[C@H](CNC(=O)C2CC(n3cccn3)C2)N(c2cc(C)ncn2)C1 2325804167 YIBBNJBLNMNGRR-BHUNQDJPSA-N 370.457 1.343 0 50 FDAA C[C@@](Cn1cccn1)(NC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)O 2325851875 LQDQPYNXUNBUAT-GUYCJALGSA-N 374.422 1.346 0 50 FDAA N[C@H]1CCc2c(C(=O)Nc3ccnn3Cc3ccc(F)cc3)n[nH]c2C1 2325857794 PELQWVPJGZZHRE-ZDUSSCGKSA-N 354.389 1.862 0 50 FDAA CC1(C(=O)Nc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)CCCC1 2325887995 IGBXRGVDJXVHTK-OAHLLOKOSA-N 369.421 1.966 0 50 FDAA CN(Cc1cc(Br)nn1C)Cc1nnc2ccc(Cl)nn12 2325891952 NDAGTIMQODARRR-UHFFFAOYSA-N 370.642 1.906 0 50 FDAA O=C(NCCN(Cc1ccccc1)c1ccccn1)N[C@H]1CCNC1=O 873061221 QCUIRZXWKUYKBG-INIZCTEOSA-N 353.426 1.276 0 50 FDAA CC(C)NS(=O)(=O)c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 798730 FXDRBOGGAISFPR-CQSZACIVSA-N 356.444 1.047 0 50 FDAA CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 1065546 QQKKJSRRLSBXCH-UHFFFAOYSA-N 362.835 1.811 0 50 FDAA C[C@@]1(O)CCOC2(CCN(C(=O)c3cc(F)ccc3OCCN)CC2)C1 2356139171 NRHBDPBUOVWTEQ-GOSISDBHSA-N 366.433 1.699 0 50 FDAA Cc1cc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(C)CC3)C2)nn1C 20994143 SPNHAEDJQAMBJD-INIZCTEOSA-N 361.490 1.135 0 50 FDAA CN(CCC(C)(C)O)C[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O 67787058 KGICQDFXRZZQMP-LJQANCHMSA-N 370.440 1.911 0 50 FDAA O=C(O)c1[nH]ncc1CN1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 67755257 NNCCPTZVELIPLS-UHFFFAOYSA-N 367.365 1.785 0 50 FDAA CC(C)N(CCN1CCCCCC1)C(=O)C[C@@H]1C(=O)NCCN1C(C)C 65394999 JBSRVFQWNVVKAL-GOSISDBHSA-N 366.550 1.698 0 50 FDAA COCCN1CCC[C@@](O)(CN(C)Cc2cccc3cccnc23)C1=O 67935181 LKZRBAMBTCWMCX-HXUWFJFHSA-N 357.454 1.667 0 50 FDAA COC[C@H](C)NC(=O)c1cn2cc(-c3ccc(OC)cc3)n(C)c(=O)c2n1 72480221 YUCPEUWNXDMPHD-LBPRGKRZSA-N 370.409 1.473 0 50 FDAA CC(C)(O)CCc1cccc(C(=O)N[C@H]2COC[C@@H]2N2CCOCC2)c1 72418430 UTUACHWZCIIYJB-ROUUACIJSA-N 362.470 1.220 0 50 FDAA O=C(c1c(F)cccc1F)N1CC[C@@H]2[C@@H](CCC(=O)N2CCCO)C1 72430216 SXVSBVQHHAWTMB-SWLSCSKDSA-N 352.381 1.800 0 50 FDAA CCN(CC)C(=O)CN(C)S(=O)(=O)N1CCO[C@@H](c2ccccc2)C1 229899517 FJHIOWVWWGGTCH-MRXNPFEDSA-N 369.487 1.105 0 50 FDAA O=C([C@@H]1CCOC1)N1CCC(C(=O)O)(n2ccc(-c3ccco3)n2)CC1 72436195 ONQYTAFNNBPKRV-CYBMUJFWSA-N 359.382 1.582 0 50 FDAA COc1ccccc1-n1nc(-c2ccccc2)n(CC(=O)NC2CC2)c1=O 77356115 VCRGFIMHNAKOSO-UHFFFAOYSA-N 364.405 1.988 0 50 FDAA CCCOCCNC(=O)C[C@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71415700 RZRHMSZNZRDPRZ-HNNXBMFYSA-N 363.458 1.519 0 50 FDAA Cc1nc(O)nc(C)c1CCC(=O)N[C@@H](c1cnn(C)c1)[C@H]1C[C@H](O)C1 218959233 KQNHIWBTKYFDMK-HACGYAERSA-N 359.430 1.094 0 50 FDAA CO[C@H](C)c1nsc(N(C)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)n1 253396841 UPUALXSNGRHHFC-VWYCJHECSA-N 358.464 1.662 0 50 FDAA CCOC(=O)c1cnn2cc(CN3CCC4(CC3)CC(=O)N(C)C4)cnc12 72411231 KUBHUYUYGUKMDA-UHFFFAOYSA-N 371.441 1.350 0 50 FDAA O=C(Nc1ccc(CCN2CCOCC2)cc1)N[C@@H]1CCc2[nH]ncc2C1 122215067 WGVSLKZMCOGAHF-GOSISDBHSA-N 369.469 1.963 0 50 FDAA O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1ccccn1)CCN2Cc1ccccc1 72438980 JSSRINXQDNKFGH-MOPGFXCFSA-N 357.479 1.565 0 50 FDAA CCCCN1C[C@@]2(CCCN(C(=O)CCc3n[nH]c(N)n3)C2)CCC1=O 77287997 WVVGQVJXZBIPGO-GOSISDBHSA-N 362.478 1.351 0 50 FDAA COc1cccc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)c1C 77386704 CSZBPPRFHVJBOC-FQEVSTJZSA-N 360.454 1.841 0 50 FDAA Cc1cnccc1OC1CCN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)CC1 365367145 UOAMRCPWSBJYFY-LXZKKBNFSA-N 372.469 1.952 0 50 FDAA C[C@@H](NC(=O)CSc1nnc(N)s1)c1nc(-c2cccnc2)no1 216400677 YZHVAELMXZMXAA-SSDOTTSWSA-N 363.428 1.535 0 50 FDAA O=C(CC1CCCCC1)NC[C@@H]1CCN(C(=O)C2CCOCC2)C[C@H]1O 72428546 ZVJONYUGMCYNQP-ZWKOTPCHSA-N 366.502 1.709 0 50 FDAA C[C@@H](O)[C@@H](C)S(=O)(=O)CC(=O)N1CCC(Cc2ccccc2)CC1 330911241 HGISOWKBEFVKFT-HUUCEWRRSA-N 353.484 1.652 0 50 FDAA Cc1cc(C)n([C@@H]2CCN(c3ccnc(C(=O)N4CCOCC4)c3)C2)n1 72156880 CGVHLVBEDSRLAE-QGZVFWFLSA-N 355.442 1.819 0 50 FDAA CCCNS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 331681846 QBLRTFPKONKMMM-CYBMUJFWSA-N 358.464 1.735 0 50 FDAA Cn1cccc(C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c1=O 215381424 VTTFBDXHFKABAW-OAHLLOKOSA-N 360.435 1.215 0 50 FDAA CCCN1C[C@H]2CN(C(=O)c3ccccc3-c3ncn[nH]3)C[C@@]2(C(=O)O)C1 215553772 HLSOTNRPHITCOV-DJJJIMSYSA-N 369.425 1.340 0 50 FDAA O=C(C1CC1)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 171325907 XVGLNSZZAKUAPH-UHFFFAOYSA-N 359.451 1.868 0 50 FDAA COc1ccc(S(=O)(=O)N2CC(N[C@H](C)C3CCOCC3)C2)cc1 369785769 AYSGYJOXBQKRLQ-CYBMUJFWSA-N 354.472 1.473 0 50 FDAA Cc1nnsc1CN1CC2(CCN(C(=O)C3CC3)CC2)C[C@H]1C(=O)O 72447516 LHNIPMKCOVLBCS-ZDUSSCGKSA-N 364.471 1.524 0 50 FDAA Cc1cccn2cc(C(=O)N3CC[C@@H]4[C@@H](CCC(=O)N4CCN)C3)nc12 72410479 XYOJXHQQAKBVHK-GOEBONIOSA-N 355.442 1.055 0 50 FDAA O=C(c1cccnc1)N1CCc2c(ncnc2N2C[C@@H]3CC[C@H](C2)N3)C1 71738418 UCMRQMYOBOXZGI-GASCZTMLSA-N 350.426 1.011 0 50 FDAA COc1ccc(-c2ccccc2)cc1N1C(=O)[C@@H]2C[C@H]1CN2C(=O)CN 77564960 OTISUCNXRTYBSI-RDJZCZTQSA-N 351.406 1.637 0 50 FDAA Cc1cc(C)c(OCC(=O)N2CCN([C@@H]3CCNC(=O)CC3)CC2)c(C)c1 333292391 AZLVUCQCSPSONH-SFHVURJKSA-N 373.497 1.804 0 50 FDAA O=C1CC[C@]2(CCCN(Cc3noc(-c4ccccc4)n3)C2)CN1CCO 77436597 WOMYAVSGEMBRSB-FQEVSTJZSA-N 370.453 1.934 0 50 FDAA CC(C)CN1C[C@@H](C(=O)N2CCCN(Cc3cccnc3)CC2)CC1=O 77485683 OVTVWADJLIGVPK-SFHVURJKSA-N 358.486 1.620 0 50 FDAA CCCN1C(=O)N[C@H](CC(=O)NCCc2nc(C)c(Cl)s2)C1=O 223067003 JBEYOVDYLPURKY-SECBINFHSA-N 358.851 1.484 0 50 FDAA O=C(NCc1ccccc1CN1CC[C@H](O)C1)c1cnc2n1CCCC2 378624318 OVFYFKTXWUOYOD-KRWDZBQOSA-N 354.454 1.716 0 50 FDAA Cc1cc(CN(C)C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)no1 242324324 ZADNIILLFYYKRG-INIZCTEOSA-N 356.426 1.332 0 50 FDAA O=C(Cn1ncc2ccccc2c1=O)NCCN1CCCc2ccccc21 47924464 UJTRVELBRVFXCN-UHFFFAOYSA-N 362.433 1.966 0 50 FDAA C[C@H]1CC[C@H](C(=O)O)CN1C(=O)CCNS(=O)(=O)c1ccccc1 263273284 WGSDLBBOLOUZPZ-STQMWFEESA-N 354.428 1.067 0 50 FDAA CCCc1cc(C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)cs1 223683353 BTAHRQODQZKQFS-UHFFFAOYSA-N 371.528 1.799 0 50 FDAA COc1cc(CN2CCn3nc(CNC(=O)N(C)C)cc3C2)cc(OC)c1 82097951 JSGTXAKTNGLZEP-UHFFFAOYSA-N 373.457 1.687 0 50 FDAA Cn1nccc1[C@H]1[C@H](CNC(=O)c2cncc(O)c2)CCCN1C1CC1 286456775 RCTZWGNEASLAHZ-SCLBCKFNSA-N 355.442 1.866 0 50 FDAA CN1CCC(N2CCC(CNC(=O)c3cccn4cnnc34)CC2)CC1 426739042 LNZXXZQRMVHPAU-UHFFFAOYSA-N 356.474 1.265 0 50 FDAA Cc1c(S(=O)(=O)N(CCc2ccccc2)Cc2ccn(C)n2)cnn1C 20602710 FNGYBNNWDZKDSS-UHFFFAOYSA-N 373.482 1.896 0 50 FDAA CCn1nc(CO)c2c1CCN(C(=O)c1cc(-c3cccn3C)n[nH]1)C2 91494328 UNPYGHVMIBBFDT-UHFFFAOYSA-N 354.414 1.322 0 50 FDAA Cc1nc([C@@H]2CCCN(C(=O)c3ccc(Cn4cccn4)o3)C2)cc(=O)[nH]1 95376093 RNYRIBRAUXRPLE-CQSZACIVSA-N 367.409 1.936 0 50 FDAA CN(C)c1nc(N)nc(CNC(=O)[C@]2(c3ccc(F)cc3)CC2(C)C)n1 91434694 POVZUQXPWIECOP-GOSISDBHSA-N 358.421 1.643 0 50 FDAA CN1CC2(CCN(CCCn3cnnn3)CC2)C[C@@H](c2ccccc2)C1=O 91725540 HGVQSEHTVIOUBY-SFHVURJKSA-N 368.485 1.791 0 50 FDAA CN1CC[C@]2(CCC1=O)CN(C1CCN(Cc3ccco3)CC1)CCN2C 91602596 YWZFGBHVBZXFEM-OAQYLSRUSA-N 374.529 1.873 0 50 FDAA O=C(NC1CC1)c1ccc(S(=O)(=O)NCc2noc(C3CC3)n2)cc1 91364698 LIRFGHCOJZQQBS-UHFFFAOYSA-N 362.411 1.318 0 50 FDAA COCC(=O)N1CCC[C@H](C(=O)NCCCc2nc(C)c(C)s2)C1 95361651 DAJIZYGHOAMNNY-AWEZNQCLSA-N 353.488 1.694 0 50 FDAA CN1CCN(C(=O)NCc2ccc(Cl)cc2)C[C@@]12CCNC(=O)CC2 91444707 GCFGUGYQJXYVEK-GOSISDBHSA-N 364.877 1.836 0 50 FDAA C[C@@H]1CCCCN1C1CN(C(=O)c2ccc(N3CC(=O)NC3=O)cc2)C1 91434492 LXIWRRXMSPJECP-CYBMUJFWSA-N 356.426 1.442 0 50 FDAA CN(Cc1ccccc1-n1cccn1)C(=O)CN1C(=O)OC(C)(C)C1=O 95519690 HUFUNLVYGGCDGK-UHFFFAOYSA-N 356.382 1.588 0 50 FDAA O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1cnc(-c2ccncc2)nc1 95387727 FKYISTVCWFUROT-MRXNPFEDSA-N 361.409 1.727 0 50 FDAA CCN1C[C@H](C(=O)N2CCc3nnc(Cc4ccccc4)n3CC2)CC1=O 95369781 NPIKAROGXRNWPE-MRXNPFEDSA-N 367.453 1.122 0 50 FDAA CN1CCN(c2cc(N3C[C@H](C(F)(F)F)OC(C)(C)C3)ncn2)CC1=O 291625710 ACUNUCAXLOHXTA-LLVKDONJSA-N 373.379 1.301 0 50 FDAA CC(C)CS(=O)(=O)CCNC(=O)[C@@H]1CC(=O)Nc2ccc(F)cc21 97272533 URYSDJRTSSNEFY-CYBMUJFWSA-N 356.419 1.439 0 50 FDAA CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(CN)cc1)CC2 237126038 UBICVLGBTIOYRB-UHFFFAOYSA-N 359.451 1.599 0 50 FDAA CCOCC1(CNS(=O)(=O)c2cccc(C(=O)NC(C)C)c2)CC1 95378471 UPNOGZRTBYENEX-UHFFFAOYSA-N 354.472 1.920 0 50 FDAA COc1ccc([C@@H](C(=O)O)N2CCN(C3CCCC3)C(=O)C2)c(OC)n1 95352426 KVBIGQFPSPASAH-INIZCTEOSA-N 363.414 1.311 0 50 FDAA C/C=C1/CN2[C@H]3C[C@H]1[C@]1(C(=O)OC)[C@H]2C[C@@]2(c4ccccc4N[C@H]32)[C@H]1O 252310901 RLUORQGMBKDXPO-PAIMEPDVSA-N 352.434 1.675 0 50 FDAA endogenous,in-man COCc1nc(O)cc([C@H]2C[C@@H](NC(=O)c3nn(C)c4c3CCCC4)C2)n1 253535140 DOWBMMJYTJLGQM-TXEJJXNPSA-N 371.441 1.617 0 50 FDAA C/C=C1/CN2[C@H]3C[C@H]1[C@@]1(C(=O)OC)[C@@H](O)[C@@]4(C[C@@H]21)c1ccccc1N[C@H]34 252310898 RLUORQGMBKDXPO-BJJURMTRSA-N 352.434 1.675 0 50 FDAA endogenous,in-man NC(=O)C1CCN(c2ncncc2-c2nc(-c3cccnc3)no2)CC1 263619515 ZATBXYKTCPFDJP-UHFFFAOYSA-N 351.370 1.290 0 50 FDAA O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)[C@@H]1C[C@H](O)CN1 299753688 YZDDJAVEENHITM-YCPHGPKFSA-N 355.841 1.283 0 50 FDAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)N(CC(=O)O)C2CCOCC2)CC1=O 299752927 WABJJORVBFRFIU-ZBFHGGJFSA-N 374.437 1.688 0 50 FDAA Cc1nc(C)n(CC(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)n1 1940196569 SWFRASVHUHRVGM-VQIMIIECSA-N 365.437 1.817 0 50 FDAA Cc1ccc(-c2nnn(C)n2)cc1NC(=O)NCc1cn2c(n1)SCC2 299772964 DFRHNIMMEJMXEU-UHFFFAOYSA-N 370.442 1.809 0 50 FDAA COc1cc2c(cc1CN1C[C@@H](c3c[nH]nn3)[C@@H](CC(=O)O)C1)CCC2 299777474 HEQCHJOJAAWTFY-GOEBONIOSA-N 356.426 1.992 0 50 FDAA Cc1nccc(C2CCN(C(=O)COc3ccc4nncn4n3)CC2)n1 299782457 DPLXELWNRSIREY-UHFFFAOYSA-N 353.386 1.008 0 50 FDAA COc1ccc(CCC(=O)N2CC[C@H]3[C@H](C2)OCc2cnnn23)cc1OC 299780251 IXDCYSFGPIAPNJ-YJBOKZPZSA-N 372.425 1.600 0 50 FDAA CCc1ccc(CN(CCOC)C(=O)Cc2c(C)nc(O)nc2O)cc1 952991926 XNBSGZAXSXAOMA-UHFFFAOYSA-N 359.426 1.976 0 50 FDAA CC(=O)N1CCN(C(=O)c2ccc(Cn3nc(C)cc3C)cc2)C[C@H](O)C1 952978282 QKYZJUXIQBDHNC-LJQANCHMSA-N 370.453 1.213 0 50 FDAA O=C(O)CN1CCC(NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 275305460 QWWIKNMDSRNESA-UHFFFAOYSA-N 366.361 1.533 0 50 FDAA Cn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccc(N3CCCC3)nc2)cn1 275550822 NJTCZLOTXVSEDO-APWZRJJASA-N 354.458 1.525 0 50 FDAA Cn1c(CN2CCS(=O)(=O)c3ccccc3C2)nc2ccccc2c1=O 186513209 CVSFUXKTUZENKK-UHFFFAOYSA-N 369.446 1.723 0 50 FDAA CCCN1CCN(C(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)C(C)(C)C1=O 778237900 WXRYVOSVTPZHCA-QGZVFWFLSA-N 373.453 1.660 0 50 FDAA CC(C)(C)OC(=O)NCc1ccccc1B(O)OC(C)(C)C(C)(C)O 198070760 CCOHDGZXCQHOOD-UHFFFAOYSA-N 351.252 1.965 0 50 FDAA Cc1noc(C)c1-c1ccc(S(=O)(=O)NCCn2ccnn2)s1 1506417112 KZYULBDWPPNJCU-UHFFFAOYSA-N 353.429 1.590 0 50 FDAA COC(CNC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OC 223247154 HDJUGAMOWUCNIW-CQSZACIVSA-N 352.431 1.858 0 50 FDAA CCN(C)CCN(C)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl 1529105126 WQPKOLKQRZZQNH-CVEARBPZSA-N 353.850 1.306 0 50 FDAA COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)O)C3(CCOCC3)C2)cc1 1775980743 ACLFPVHGYTWWJQ-AWEZNQCLSA-N 355.412 1.197 0 50 FDAA CCOC(=O)N1CC[C@H](N2CCCN(C(=O)c3cn(C)nc3C)CC2)C1 1775981147 AKJIANKIZWCTJO-HNNXBMFYSA-N 363.462 1.107 0 50 FDAA CN1CCC(N2CCCN(C(=O)CCCN3CCCC3=O)CC2)CC1 1775979333 LASADMIESHSJGE-UHFFFAOYSA-N 350.507 1.018 0 50 FDAA Cc1ccnc(NC(=O)COC(=O)CN2C(=O)C(=O)c3ccccc32)c1 5101298 WUWNPQWSARRRPS-UHFFFAOYSA-N 353.334 1.101 0 50 FDAA CCCCNCc1ccc(OC[C@H](O)CN2CCOCC2)c(OC)c1 12703908 HNDWNKBKNISKTL-QGZVFWFLSA-N 352.475 1.657 0 50 FDAA O=C(Cn1nc2ccccc2n1)N[C@@H](Cc1ccccn1)[C@H]1C[C@H](O)C1 223931341 MQJQAEWBFUNRBO-JOQOYGCGSA-N 351.410 1.325 0 50 FDAA CCN=S1(=O)CCC2(CC1)CN(C(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C)CCO2 1857528024 WWINJPYZYHERQK-GWOMRPBSSA-N 372.531 1.925 0 50 FDAA O=C(NCCc1nc(Cc2ccccc2)no1)[C@H]1CCn2nccc2C1 1857736976 XZTPMEOLUHTDSC-HNNXBMFYSA-N 351.410 1.778 0 50 FDAA C[C@H](O)[C@H]1CN(C(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)CCO1 331805629 FVIPUSCGENASMK-YSVLISHTSA-N 351.422 1.586 0 50 FDAA COc1cc(OC)c(S(=O)(=O)N2CC[C@@H](N)C2)cc1Br 237207545 YFTNDIVCVYZLGL-MRVPVSSYSA-N 365.249 1.188 0 50 FDAA CS(=O)(=O)N[C@@H]1CCCC[C@H]1N[C@@H]1CCN(c2ccccc2)C1=O 252540568 PMZOHFPHDANUMC-BZUAXINKSA-N 351.472 1.242 0 50 FDAA O=S(=O)(c1cccs1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19772783 PSSUIKISFLRHFD-UHFFFAOYSA-N 366.464 1.983 0 50 FDAA COc1cc2nc(CN3CCNC(=O)[C@H]3C(C)C)nc(O)c2cc1OC 264174116 WLQTYWXAVLFOCI-MRXNPFEDSA-N 360.414 1.309 0 50 FDAA O=C(c1c[nH]nc1[C@@H]1CCCCN1)N1CCC(Nc2cccnn2)CC1 864789651 AMLXROSIWQSDEG-HNNXBMFYSA-N 355.446 1.731 0 50 FDAA CCn1cncc1CNC[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1cnn(C)c1 952853001 VDNXOCZFSOMRBU-KUHUBIRLSA-N 356.474 1.868 0 50 FDAA CCC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)NC3CC(C)C3)C2)C1 952876339 NJDYGEGRGKBARD-WEGMMUJXSA-N 356.488 1.153 0 50 FDAA CC(=O)NCc1c[nH]nc1[C@@H]1CCN(c2ccc(C(F)(F)F)nn2)C1 952849446 KWDURWZSUXDCPI-SNVBAGLBSA-N 354.336 1.849 0 50 FDAA O=C(CCc1nc2cnccc2[nH]1)N1CCC2(CCS(=O)(=O)CC2)C1 1875298563 FRNDLJRXGLYTNM-UHFFFAOYSA-N 362.455 1.318 0 50 FDAA CC[C@@H](N[C@@H]1CCN(c2nc(C(=O)NC)nc(C)c2C)C1)c1ccn(C)n1 1875397755 MJJUSBKYRDDLIE-HUUCEWRRSA-N 371.489 1.506 0 50 FDAA CCO[C@@H](C)c1nc(-c2ccc3[nH]c(=O)c(=O)[nH]c3c2)n(CCOC)n1 1875347220 KZDWCKHZLBBMSY-JTQLQIEISA-N 359.386 1.219 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1cc(C2CC2)nc2ccnn12 1875403038 PFDDYSUUVNZPAA-SRCQZFHVSA-N 366.425 1.373 0 50 FDAA CC(C)n1ncnc1CN[C@@H]1C[C@@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)C12CCC2 1875408429 WKBJDDMEQJMZEH-YCCFLXJFSA-N 359.474 1.268 0 50 FDAA CCN1CCC[C@@H]1CN(C)c1ncnc2c1ncn2CC1(O)CCOCC1 888097101 AQMDDTAIUBFPIP-OAHLLOKOSA-N 374.489 1.288 0 50 FDAA COCCc1nsc(N2CCC3(CC2)CNC(=O)c2ccccc2O3)n1 895579879 DCBSGLUUZMNMCP-UHFFFAOYSA-N 374.466 1.888 0 50 FDAA O=S1(=O)CCC[C@@H](Nc2ccc(I)cn2)C1 408458381 SWFNOANPGSSPCQ-SECBINFHSA-N 352.197 1.675 0 50 FDAA CCN1C(=O)C[C@@H](NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O 4738642 NHEUHPOHCDLRNS-CYBMUJFWSA-N 370.375 1.806 0 50 FDAA Cc1cc(C)c(-c2cc(=NC(=O)[C@@H]3CNCc4nccn4C3)[nH][nH]2)cc1C 2325796156 WPSZHQQSYZTYJE-OAHLLOKOSA-N 364.453 1.978 0 50 FDAA O=C(O)[C@@H]1CCC2(CCC2)N(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)C1 2325802120 JBGUREWEGAQKRT-SNVBAGLBSA-N 365.411 1.677 0 50 FDAA Cn1ncc2c1C[C@H](C(=O)NOCc1ccccn1)[C@@H](C(F)(F)F)N2 2325805579 SWRQHRLQWWZCKO-GWCFXTLKSA-N 355.320 1.578 0 50 FDAA CC(C)(C)c1ccc([C@@H](N)C(=O)NS(=O)(=O)c2nccs2)cc1 2325851763 IMZIQZZULQTFMD-GFCCVEGCSA-N 353.469 1.946 0 50 FDAA O=C(O)C1CC(S(=O)(=O)N[C@H]2COc3ccc4ccccc4c3C2)C1 2325875085 FUJWPWDDPXGVFH-ROKHWSDSSA-N 361.419 1.926 0 50 FDAA C=CC(=O)N1CCC[C@@H](C(=O)N(C)CC(=O)N2CCCc3ccccc32)C1 2325888734 VQWJODIAUKKXLM-QGZVFWFLSA-N 369.465 1.849 0 50 FDAA Cn1c(=O)c2c(nc(N3CCCC3)n2Cc2ccc(F)cc2)n(C)c1=O 629452 DQMKYSPNMFTRAW-UHFFFAOYSA-N 357.389 1.221 0 50 FDAA Cc1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 680538 YLZSJBGBKOINMC-UHFFFAOYSA-N 354.453 1.163 0 50 FDAA CCCN1CCC[C@@]2(CCCN2S(=O)(=O)c2c(C)noc2C)C1=O 2356134810 DAIATKSGOSZJOE-MRXNPFEDSA-N 355.460 1.847 0 50 FDAA Cn1ccnc1-c1ccc(N2CC[C@H](O)[C@](CC3CC3)(C(=O)O)C2)nn1 2356150874 DCCLZRFOFPNPTD-KBXCAEBGSA-N 357.414 1.319 0 50 FDAA CCOC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1 4502956 HJZWFWFBUCUJID-OAHLLOKOSA-N 374.437 1.850 0 50 FDAA CCc1oc(C(=O)NCCN2CCC[C@@H](O)C2)cc1CN(CC)CC 55098994 RREQHGBGDQLRCG-MRXNPFEDSA-N 351.491 1.870 0 50 FDAA COC(=O)CCC(=O)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 59314140 FSDALBPIRMMYAZ-SFHVURJKSA-N 359.470 1.753 0 50 FDAA O=C(Cc1ccc(NC(=O)C23CCCN2CCC3)cc1)N1CCOCC1 225703953 FPUSFVODEOJOOZ-UHFFFAOYSA-N 357.454 1.655 0 50 FDAA COc1ccc2c(c1)CCc1c(C(=O)NCCCN3CCOCC3)noc1-2 20137778 WQDGMLXCEULBIX-UHFFFAOYSA-N 371.437 1.901 0 50 FDAA CC(C)n1cnc(S(=O)(=O)N2C[C@@H](CO)[C@@H](c3ccsc3)C2)c1 249468549 RDWXTXGHOYHODG-UONOGXRCSA-N 355.485 1.922 0 50 FDAA CCn1c(C2CCN(C(=O)c3cc(C)nc4onc(C)c34)CC2)n[nH]c1=O 67691599 FONVJPZYJHPZTI-UHFFFAOYSA-N 370.413 1.764 0 50 FDAA CCc1nc(NC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)nn1C 23507063 OZXFYHWERJCGRQ-UHFFFAOYSA-N 372.429 1.456 0 50 FDAA CCn1c([C@@H]2CCCN(C(=O)c3cccc4[nH]c(C)nc34)C2)nn(C)c1=O 67851848 WCZRYYPGRCCMOU-CYBMUJFWSA-N 368.441 1.806 0 50 FDAA CCc1onc(C)c1C(=O)N1CCC[C@H](N(C)Cc2nccc(N)n2)CC1 328624243 CIBHDRTWEPDJPI-AWEZNQCLSA-N 372.473 2.044 0 50 FDAA CCS(=O)(=O)NCCCN1CCC[C@H]1c1nc2c(n1C)CCCC2 328622357 BFAFQCFPLODGKB-INIZCTEOSA-N 354.520 1.765 0 50 FDAA Cc1ncc(C(=O)N2CCO[C@@H](c3ccnc(N4CCCC4)n3)C2)c(C)n1 328629972 PIJHQXBGHCMTGX-QGZVFWFLSA-N 368.441 1.697 0 50 FDAA COc1ccc(C(=O)N2CCC(NCc3cnn(C)c3)CC2)c(OC)c1 237434002 IRPVISGLHXUEJD-UHFFFAOYSA-N 358.442 1.832 0 50 FDAA O=S(=O)(N[C@@H]1CCC(O)=NC12CCC2)c1cnn(C2CCOCC2)c1 328741749 MLBRYKYVMJIXRA-CQSZACIVSA-N 368.459 1.555 0 50 FDAA CC(C)c1ccc2cc(C(=O)N(C)[C@@H]3CS(=O)(=O)C[C@H]3O)[nH]c2c1 71750073 MRCPTGRSPCNSNZ-HZPDHXFCSA-N 350.440 1.521 0 50 FDAA O=C(Cn1ccc2ccccc2c1=O)NCc1cccnc1-n1ccnc1 363931652 DAPXGGFFZBYBEO-UHFFFAOYSA-N 359.389 1.899 0 50 FDAA CC(C)(C)C(=O)NC1CCC(C(=O)N2CCO[C@@]3(CCOC3)C2)CC1 365536579 KLPOEJFBUHMBLX-ZOJXTTQQSA-N 352.475 1.725 0 50 FDAA Cc1cc(CC(=O)NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)n[nH]1 123203843 YCGGZDWPYODSBC-UHFFFAOYSA-N 373.432 1.255 0 50 FDAA CN(Cc1nccn1C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CC(C)(C)C)C(=O)[C@@H]13)O2 77439740 CSHWNWXWVRXOPL-MNFOOTCESA-N 372.469 1.207 0 50 FDAA CCc1oc(C(=O)N2CC[C@@](O)(CN(C)C)C2)cc1CN(CC)CC 72154878 VCWAOIKTUCTGRW-LJQANCHMSA-N 351.491 1.822 0 50 FDAA Cc1nc(CN2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)no1 71681630 WBVUIFTYZDFUPK-INIZCTEOSA-N 361.490 1.677 0 50 FDAA Cc1nc([C@H](C)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)no1 329849124 PWVUCOYFQUIQSD-WMLDXEAASA-N 355.442 1.862 0 50 FDAA C=CC(=O)NCc1ccc(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2)cc1 370904756 LJYJJVHPIFDUQC-INIZCTEOSA-N 353.426 1.231 0 50 FDAA Cc1nc(C)c(CC(=O)N2CCN(CCOc3ccccc3)CC2)c(=O)[nH]1 31215252 RWSGMHLDJUUCDA-UHFFFAOYSA-N 370.453 1.152 0 50 FDAA Cc1cc(C)n2c(C(=O)N(Cc3ccccn3)C[C@@H]3CCCO3)nnc2n1 215008499 DNDWMGZGJGZKHR-INIZCTEOSA-N 366.425 1.958 0 50 FDAA O=C(O)[C@@H]1CN(c2nnnn2-c2ccc(-c3ccccc3)cc2)CCN1 71746052 AFDOLYRPVKMRPG-INIZCTEOSA-N 350.382 1.192 0 50 FDAA C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 14987451 XFOXJSLOKBYOAR-IRMIRLBCSA-N 361.401 1.627 0 50 FDAA biogenic CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2cc[nH]n2)[C@H]3C1=O 77504908 GGENYCVHNPDBJX-CLWJZODNSA-N 372.469 1.586 0 50 FDAA Nc1ccccc1CCC(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 262965822 XBYQLIREXMZCDQ-AWEZNQCLSA-N 358.394 1.486 0 50 FDAA COc1cccc(C(=O)N2CCN(CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 77540008 JCRCVEBJVZLYMP-SJORKVTESA-N 366.483 1.275 0 50 FDAA O=C(CC1C[C@@H]2CC[C@H](C1)N2)NCC(=O)Nc1ccc(-n2cccn2)cc1 238140914 ZQLNAUAOLWLSJD-ZXFUBFMLSA-N 367.453 1.848 0 50 FDAA COCC1(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)CC1 333146771 ABDAICJBXRNWOX-CQSZACIVSA-N 367.471 1.549 0 50 FDAA OC[C@@H](O)CN1CCCC12CCN(c1ccc(C(F)(F)F)cn1)CC2 72431805 ZKPRKZLLVHFHQV-AWEZNQCLSA-N 359.392 1.888 0 50 FDAA O=C(NC1CC1)[C@H]1CCCN(C2CCN(C(=O)c3ccccn3)CC2)C1 71751674 KXQIDLQGPNXKTO-HNNXBMFYSA-N 356.470 1.677 0 50 FDAA O=C([C@H]1COCCN1CC(F)F)N1CC[C@H](OCc2ccncc2)C1 281803320 JXAAETWNBCSGMB-LSDHHAIUSA-N 355.385 1.165 0 50 FDAA Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)NCCCn2cc(Cl)cn2)n1 223256490 LJBHPFUHEBVSAE-JTQLQIEISA-N 355.851 1.615 0 50 FDAA COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)[C@H]1C[C@H](O)CN1C(C)=O 286855235 GTCPXNVHEHNHMM-AETAKHFUSA-N 360.454 1.977 0 50 FDAA CCO[C@@H]1CCC[C@H]1NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F 456918548 AHBFDPORFBIGTA-IACUBPJLSA-N 358.435 1.566 0 50 FDAA CN1CCC(N(Cc2ccncc2)C(=O)N[C@@H]2CCC(=O)N(C)C2)CC1 426445453 GITOZKNIMQTZBR-MRXNPFEDSA-N 359.474 1.308 0 50 FDAA COc1ccc(C(=O)N2CCC[C@@H](c3ccn(CCO)n3)C2)c(OC)n1 426530692 YPDPNVCIDQEJKA-CYBMUJFWSA-N 360.414 1.307 0 50 FDAA CC(C)c1nc(CCN(C)C(=O)Cn2ccc([C@@H]3CCCNC3)n2)no1 426689335 WDIPGNUYHWLYNY-CQSZACIVSA-N 360.462 1.558 0 50 FDAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2ccc3c(c2)CCC3)C1 222542255 WFXDPGPHLOPUIE-QAQDUYKDSA-N 370.453 1.582 0 50 FDAA Cc1ccc(F)cc1C(=O)N1CCn2nc([C@H](O)CC(=O)N(C)C)cc2C1 222515400 HNRIMNLMWIEMDJ-QGZVFWFLSA-N 374.416 1.498 0 50 FDAA CN(C)[C@H](C(=O)N1CCN(c2cccnc2)CC1)c1ccc2c(c1)OCO2 220654217 JMMBVAMJKXYFQT-IBGZPJMESA-N 368.437 1.762 0 50 FDAA O=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1ccc2c(c1)OCCO2 223950411 FLNXQXZQBPNXPE-VQIMIIECSA-N 370.405 1.957 0 50 FDAA CN1C[C@H]2CN(C(=O)CCCN3Cc4ccccc4C3)C[C@@]2(C(=O)O)C1 426526565 ZPBSDCIEFUMSCS-PXNSSMCTSA-N 357.454 1.257 0 50 FDAA O=C(CN1Cc2ccccc2C1)N1CCC[C@@H](c2ccn(CCO)n2)C1 426535198 QBCYQHDDTZFRJV-GOSISDBHSA-N 354.454 1.597 0 50 FDAA O=C(C1CCN(C2CCOCC2)CC1)N1CCN(c2ncccn2)CC1 97696360 PHYFAFUFKLUQBQ-UHFFFAOYSA-N 359.474 1.016 0 50 FDAA O=C(Cn1ccc2ccccc21)N1CC[C@]2(CCCN(CCO)C2=O)C1 91604187 XRFSZFFLYCDUDE-HXUWFJFHSA-N 355.438 1.475 0 50 FDAA CC(=O)SC[C@H](C)C(=O)N1Cc2cc3c(cc2C[C@@H]1C(=O)O)OCO3 95918242 SDEFMVOFMXOFMK-TVQRCGJNSA-N 365.407 1.669 0 50 FDAA Cc1cc(C)n(CCCNC2CCN(c3ncnc4[nH]cnc34)CC2)n1 95528392 HDDKORAKALMETQ-UHFFFAOYSA-N 354.462 1.815 0 50 FDAA O=C1CN(Cc2nc(Cc3cccs3)nn2Cc2ccccc2)CCN1 96164254 OPUYPCNJJMIJMW-UHFFFAOYSA-N 367.478 1.911 0 50 FDAA O=C([C@@H]1CCCN1C(=O)c1ccccc1)N1CCOC2(CCOCC2)C1 178226359 YBXCLGUAKAULAR-KRWDZBQOSA-N 358.438 1.699 0 50 FDAA CN1CCN(Cc2nccn2Cc2ccccc2)C[C@]12CCNC(=O)CC2 91319780 GFHFCBKRIFCFOE-NRFANRHFSA-N 367.497 1.718 0 50 FDAA CN1CCN([C@@H]2CCN(C(=O)c3ccc(F)c(Cl)c3)C[C@H]2O)CC1 22920504 WKPVARCPWWKAOM-HZPDHXFCSA-N 355.841 1.302 0 50 FDAA CCn1ccnc1C1CCN(C(=O)[C@@H](c2ccccc2)n2cnnn2)CC1 91664403 FSJNBBPDXXIVMB-QGZVFWFLSA-N 365.441 1.885 0 50 FDAA CCN(CC)C[C@H](O)COc1cc(CN2CCCOCC2)ccc1OC 95524110 JPQVFSNDKRMQHB-SFHVURJKSA-N 366.502 1.999 0 50 FDAA Cc1nc([C@H](C)N(C)C(=O)c2cnc(Cn3cncn3)nc2O)c(C)s1 91781089 HJGDMMUJGIFGJY-VIFPVBQESA-N 373.442 1.729 0 50 FDAA O=C(c1cccnc1)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCn1cccn1)C2 95386621 SLOMFAIZNMDWTA-DOTOQJQBSA-N 353.426 1.431 0 50 FDAA Cc1ccn(CC(=O)N2CCC[C@H](c3nccn3CCCN(C)C)C2)n1 95521647 ZNOKHSGCTQLZOF-KRWDZBQOSA-N 358.490 1.746 0 50 FDAA CCCn1ncc(CN2CCCn3nc(CNC(=O)COC)cc3C2)c1C 91651464 SVOVZTRYPBFWII-UHFFFAOYSA-N 374.489 1.467 0 50 FDAA O=C(Cn1c(=O)ccc2ccccc21)N1CCC[C@@H](C(=O)N2CCCC2)C1 95506570 GQCNWKCNCGGQMH-QGZVFWFLSA-N 367.449 1.863 0 50 FDAA O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCOC2)c1)N1CCSCC1 95365318 GVNMGNQULAKPCN-ZDUSSCGKSA-N 370.496 1.190 0 50 FDAA O=C(c1n[nH]c2c1CCC2)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2=O 91644561 HUKCUAYEBPEADL-DZGCQCFKSA-N 365.437 1.557 0 50 FDAA CO[C@@H](C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1)C1CC1 298657473 SQXUUDABCGCXLE-ZIAGYGMSSA-N 367.243 1.874 0 50 FDAA COc1ccccc1NC(=O)CCN1CCN(c2cc(C)nc(N)n2)CC1 244816857 SPSCBSGUXRXYRY-UHFFFAOYSA-N 370.457 1.527 0 50 FDAA CN(C)[C@H]1CCN(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)C1 244898933 ZECWBMBCACFKHR-SFHVURJKSA-N 358.486 1.175 0 50 FDAA Cc1cccnc1CN1CCN(C(=O)CC[C@@H](C)N2CCOCC2)CC1 244685548 ISEBIGLMPZMRKW-GOSISDBHSA-N 360.502 1.535 0 50 FDAA Cc1nccn1CCNC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O 253401368 FNZWSLQNRUAZBN-UHFFFAOYSA-N 373.409 1.836 0 50 FDAA biogenic C[C@@H](NC(=O)N(C)C1CCS(=O)(=O)CC1)c1cn2ncsc2n1 534634811 YFJFMNYVOTVMPZ-SECBINFHSA-N 357.461 1.070 0 50 FDAA OC1CN(c2nc([C@H]3CCOC3)cc(N3CC(c4ccccn4)C3)n2)C1 299772492 ZJMTYQCQTMMRCM-ZDUSSCGKSA-N 353.426 1.160 0 50 FDAA O=C(O)c1cc2n(n1)CCN(C[C@H](c1cccnc1)N1CCCCC1)C2=O 1940198396 NDFSEDOSZHJDOV-QGZVFWFLSA-N 369.425 1.659 0 50 FDAA Cc1nc2cc(CC(=O)N3CCC(C(=O)N4CCOCC4)CC3)ccc2[nH]1 299788159 VRTNVYARMLNHSY-UHFFFAOYSA-N 370.453 1.511 0 50 FDAA NC(=O)c1ccc(NC(=O)NC[C@H](O)CN2CCCCCC2)cc1Cl 299790110 APXCVWZBUQQHDB-ZDUSSCGKSA-N 368.865 1.797 0 50 FDAA COc1ccc(S(N)(=O)=O)cc1C(=O)NCCCc1nc(C)cs1 299770259 OOJKKYABGNQBMI-UHFFFAOYSA-N 369.468 1.470 0 50 FDAA CCn1ncnc1CN1CCC2(CC1)CN(C(=O)NC(C)(C)C)CCO2 823609904 YQCUFOAXJNLFIF-UHFFFAOYSA-N 364.494 1.473 0 50 FDAA CC(=O)N1CCC2(CC1)CN(C(=O)c1nc(O)nc3ccccc13)CCO2 820569336 FKBPVPKRVXKMSV-UHFFFAOYSA-N 370.409 1.189 0 50 FDAA Cc1nnsc1C(=O)N1CCC2(CC1)CN(C[C@H]1CCOC1)CCO2 828234686 DFXYEKIEHIOMTB-CQSZACIVSA-N 366.487 1.190 0 50 FDAA COc1ccc2c(C)c(CC(=O)N[C@H](C)c3nncn3C)c(=O)oc2c1 824759055 ZYJLTKCTPLYYRL-LLVKDONJSA-N 356.382 1.658 0 50 FDAA Cc1cc(OC[C@@H](O)CNC(=O)CCCn2cncn2)ccc1Cl 952979618 DTIMZVXCQQZUFX-ZDUSSCGKSA-N 352.822 1.576 0 50 FDAA CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](Cc1ccccc1)NC(N)=O 268027130 MCOALGZGGDUURO-KBPBESRZSA-N 356.430 1.071 0 50 FDAA C[C@@H](NC(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1)c1ncnn1C 276893053 LNZHIGYWBLHDFM-GFCCVEGCSA-N 360.393 1.183 0 50 FDAA COC(=O)[C@@H]1CCN2C(=O)N(c3ccc4c(c3)OC(F)(F)O4)C(=O)[C@@H]2C1 277930090 DIHCQOOLIVUENB-SCZZXKLOSA-N 368.292 1.728 0 50 FDAA COC(=O)c1ccsc1NC(=O)C(=O)NC1(c2noc(C)n2)CCC1 170615543 QKPDBZPIVYDHAM-UHFFFAOYSA-N 364.383 1.360 0 50 FDAA CCN(C(=O)c1cc(C)nc(C(F)(F)F)n1)[C@H](C)CS(C)(=O)=O 187985755 KPFVCXGMJGWYMD-SECBINFHSA-N 353.366 1.699 0 50 FDAA Nc1cc(COC(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)ccn1 787606523 JIPOUDCVDMJARE-GDBMZVCRSA-N 373.384 1.051 0 50 FDAA COc1ccc(CCC(=O)N2C[C@@H]3COCC[C@]3(C(=O)O)C2)cc1OC 1772707074 JNHXUNVVHPPFEF-KUHUBIRLSA-N 363.410 1.586 0 50 FDAA CC(C)c1ccc(CN2CCC[C@H](n3cc(C(=O)NCCO)nn3)C2)cc1 12039323 UNXMTVXORQHUFT-SFHVURJKSA-N 371.485 1.961 0 50 FDAA CCS(=O)(=O)N(C)c1ccc(C(=O)NCCCn2ccnc2)cc1 13535999 GIGOCZAGLMTSPR-UHFFFAOYSA-N 350.444 1.489 0 50 FDAA CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(CC(C)C)CC2 14741588 OYHKNLRAKHMWHQ-UHFFFAOYSA-N 352.479 1.273 0 50 FDAA O=C1CCC(=O)N1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 17949366 COVQKGUPSPUWDR-KHSMEXAKSA-N 372.380 1.943 0 50 FDAA CCCc1cc(CNC(=O)c2ccc(N3CCNC(=O)[C@H]3CC)nc2)on1 19223652 AKFMYBGVGHSZBX-MRXNPFEDSA-N 371.441 1.667 0 50 FDAA O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 19868758 SSJQYXAQCDOCEJ-OLZOCXBDSA-N 358.485 1.444 0 50 FDAA CNC(=O)C[C@H]1CN(C(=O)c2cc(C(F)(F)F)ncc2Cl)C[C@@H]1O 1857531175 HCQUTTMPUQFSGK-XVKPBYJWSA-N 365.739 1.323 0 50 FDAA COc1cc(S(=O)(=O)N2C[C@@H]3CCOC[C@]3(CO)C2)c(C)cc1C 1857669679 RCZROESITBEMNA-WMLDXEAASA-N 355.456 1.332 0 50 FDAA O=C(CN1CCc2[nH]nc(-c3ccccc3)c2CC1)NC[C@@H]1CCCO1 1857701517 MHWKULDLSXXDBW-INIZCTEOSA-N 354.454 1.773 0 50 FDAA O=C(Cc1c[nH]nc1O)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1857712573 DIBLPGFAOQRPFR-RHSMWYFYSA-N 352.394 1.268 0 50 FDAA CN(Cc1ncon1)C(=O)C[C@H]1CCCN(c2nc3ncccc3o2)C1 1857730684 YTXJAKGRLZLVPI-GFCCVEGCSA-N 356.386 1.871 0 50 FDAA O[C@@H]1CN(Cc2ccncc2)C[C@H]1Oc1cnn(Cc2ccccc2)c1 859389201 CTOIEDZAKUBEBG-WOJBJXKFSA-N 350.422 1.951 0 50 FDAA O=C(NC[C@@H]1CCN(c2ccc(F)cc2F)C1)[C@@H]1CNC[C@H]2C=NN=C21 1875277800 GMELKRWTRABVOW-SGMGOOAPSA-N 361.396 1.183 0 50 FDAA Cc1nc2nc[nH]n2c(=O)c1CCC(=O)N(Cc1ccccc1)C[C@H](C)O 1875260217 ZKBZPAYEPRAFRB-ZDUSSCGKSA-N 369.425 1.068 0 50 FDAA COCc1nc(=N[C@@H]2CC[C@@H]3CN(C(=O)C4(CF)CC4)C[C@H]32)s[nH]1 1875339295 ZNRWOKUAQCFUER-IJLUTSLNSA-N 354.451 1.505 0 50 FDAA O=C(N[C@@H]1CC[C@H](C(=O)N2CCCCC2)C1)c1c[nH]nc1C1CCNCC1 1875313902 XDDQTEODUNQIMA-JKSUJKDBSA-N 373.501 1.788 0 50 FDAA CNC(=O)C[C@@H]1CN(C(=O)NCc2c(Cl)cncc2Cl)C[C@H]1O 1875403733 ZOOCCVWAFARYQT-PRHODGIISA-N 361.229 1.027 0 50 FDAA CC(=O)NCc1cc(O[C@H]2CCN(C(=O)c3cnc(C)cn3)C2)ccn1 886095326 RVYPJSLJJPMZHN-INIZCTEOSA-N 355.398 1.110 0 50 FDAA CCN1C(=O)C[C@@H](CNCc2cn(C(C)(C)C)nn2)[C@@H]1c1nccn1C 886044629 CXVNHLPOUOPURX-XJKSGUPXSA-N 359.478 1.466 0 50 FDAA CO[C@@H]1CCN([C@H]2CCC[C@H]2NC(=O)CCc2ccc(C(N)=O)cc2)C1 888076898 VTUZAGNLVFJVTO-KURKYZTESA-N 359.470 1.476 0 50 FDAA Cc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2Cc2nn(C)c(=O)n2C)c(C)n1 888099383 WQSBUIBRLMMXDH-UKRRQHHQSA-N 358.446 1.057 0 50 FDAA CCC(C)(C)N1CCN(C(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1 888093878 CNMQYQNYQINGHS-UHFFFAOYSA-N 368.503 1.933 0 50 FDAA Cc1noc([C@@H]2COCCN2C2CN(c3ncc(Cl)cc3F)C2)n1 888098352 GJNYTOSVNLNCOZ-ZDUSSCGKSA-N 353.785 1.828 0 50 FDAA CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2[C@@H]2CCOC2)CCS1 2325757293 ORJVJRMXMCLITC-ZIAGYGMSSA-N 365.503 1.807 0 50 FDAA O=C(Nc1cnn(-c2ncccc2Cl)c1)N1C[C@@H]2C[C@H]1CS2(=O)=O 2325786577 YZKBZKYAADSBDO-QWRGUYRKSA-N 367.818 1.324 0 50 FDAA NCc1cn([C@H]2CCN(C(=O)CCc3cncc4ccccc34)C2)nn1 2325795236 RZWSEJWQPKJUDQ-KRWDZBQOSA-N 350.426 1.691 0 50 FDAA Cc1cnn(Cc2ccc(C(=O)N3C[C@@H]4CCOC[C@]4(C(=O)O)C3)cc2)c1 2325813224 ZLVQULIBUSBXOK-FXAWDEMLSA-N 369.421 1.803 0 50 FDAA CS(=O)(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 1135011 PXCZLFVLOSKJQN-UHFFFAOYSA-N 354.453 1.579 0 50 FDAA N=c1[nH][nH]c(C(=O)N2C[C@H]3[C@@H](CO)[C@@H]4CC[C@@]3(C2)O4)c1-c1ccccc1 2356154965 REBUBKDWAHPCMQ-BZIRYSOJSA-N 354.410 1.101 0 50 FDAA CCN(C)[C@@H]1CCN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)C1 225556859 DUHMFLYNCNGATO-MRXNPFEDSA-N 351.472 1.393 0 50 FDAA O=C(O)CNc1cccc(C(=O)N2CCN(CC3CC3)[C@@H](CCO)C2)c1 55404376 RRKCDGRPHWFPDA-KRWDZBQOSA-N 361.442 1.102 0 50 FDAA CCc1nn(C)c(Cl)c1CN1CCC(c2nn(C)c(=O)n2CC)CC1 67921992 SMYORLAIGODPED-UHFFFAOYSA-N 366.897 1.931 0 50 FDAA CSCc1ccc(C(=O)N2CCO[C@@H](C(=O)N3CCSCC3)C2)o1 72481278 FAPGFPPTQUZZDI-CQSZACIVSA-N 370.496 1.559 0 50 FDAA Cc1nc(NCCNC(=O)c2ccc3c(c2)OCO3)cc(-n2cccn2)n1 67612847 VIZPTRDIHXILNQ-UHFFFAOYSA-N 366.381 1.541 0 50 FDAA CN(CCc1ccccc1)C1(C(=O)NC[C@H](O)CO)Cc2ccccc2C1 72171326 JJEWXIGQTKYFCU-FQEVSTJZSA-N 368.477 1.168 0 50 FDAA O=C1NCCN(Cc2cccnc2)[C@H]1CC(=O)N1CCc2ccccc2C1 12305302 LZZOHLRAXQTKDU-IBGZPJMESA-N 364.449 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359.426 1.602 0 50 FDAA CCCOCC(=O)N1CCC2(CCC(=O)N([C@H]3CCN(C)C3)C2)CC1 91390773 SAVGWSCXCASJHX-INIZCTEOSA-N 351.491 1.348 0 50 FDAA CN(CCc1cnn(C)c1)C(=O)c1cnc(COc2ccccc2)[nH]c1=O 91426991 FNLKCAZQKQNXKY-UHFFFAOYSA-N 367.409 1.397 0 50 FDAA Cc1cc(C)n([C@H]2CCN(C(=O)Cn3c(=O)c(C)nc4ccccc43)C2)n1 95503834 OMWDMPALFZZTKY-INIZCTEOSA-N 365.437 1.992 0 50 FDAA CCCN1C[C@H](NC(=O)Cc2ccc(O)cc2)C[C@H]1C(=O)N(CC)CC 95509730 OQXBYAGDOMWCSU-AEFFLSMTSA-N 361.486 1.772 0 50 FDAA O=C(Nc1ncn(Cc2ccc(F)cc2)n1)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 239338646 KWQHSPZZIPROAQ-SYQHCUMBSA-N 358.329 1.058 0 50 FDAA CCc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(C(=O)COC)C2)CC1 97785009 GUFOYJFIPMGCSD-GOSISDBHSA-N 373.497 1.783 0 50 FDAA COCCn1ccnc1[C@H]1CCCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)C1 95498569 RWOIRZBXWLZIJX-HNNXBMFYSA-N 373.457 1.178 0 50 FDAA Cc1nc(C)c(CC(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc(F)cc3)C2)c(=O)[nH]1 91943628 IKZAYUCDJARBJA-JKSUJKDBSA-N 373.384 1.395 0 50 FDAA COCCN1C[C@@]2(CCCN(C(=O)c3ccn(C(F)F)n3)C2)CCC1=O 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50 FDAA NC(=O)[C@@H]1CCCN(CCCNC(=O)c2ccc(-c3cncnc3)cc2)C1 426442033 UTBQETHBZIMOCR-QGZVFWFLSA-N 367.453 1.461 0 50 FDAA COCCN(Cc1ccsc1)C(=O)NCCn1c(C)cc(C)nc1=O 426562858 IEIPFWIIEHCWPQ-UHFFFAOYSA-N 364.471 1.780 0 50 FDAA Cc1[nH]c(-c2ccccc2)nc1C(=O)NCCN1CCC[C@H](C(N)=O)C1 97696269 ISJUYMDMEJCCRG-HNNXBMFYSA-N 355.442 1.312 0 50 FDAA Cc1ncc(CN2CCN(C)[C@@]3(CCC(=O)N(CC4CC4)CC3)C2)cn1 230189401 PEUAJZSWMJVEEA-HXUWFJFHSA-N 357.502 1.694 0 50 FDAA CC[C@@H]1CN(C(=O)c2ccc(Cn3nnnc3C)cc2)CCN1C(C)C 91829228 OHEHJTZESHFCFN-GOSISDBHSA-N 356.474 1.975 0 50 FDAA CN(C[C@H]1CCCCO1)C(=O)c1cccc(S(=O)(=O)N2CCC2)c1 95356468 BRSGQQLBARJRMX-OAHLLOKOSA-N 352.456 1.722 0 50 FDAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cc(CC(C)C)nc(N)n2)on1 96165976 ICPIULSFRXUXBX-WBMJQRKESA-N 359.430 1.541 0 50 FDAA O=C(Cn1nccc1[C@H]1CCCNC1)NCc1ccc(-n2cncn2)cc1 426620274 RBFFSNVNFHNRHC-INIZCTEOSA-N 365.441 1.247 0 50 FDAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)Nc1ccc(S(C)(=O)=O)cc1 96136586 BMDZWNADEFSBKE-HNNXBMFYSA-N 367.471 1.955 0 50 FDAA O=C(NCCN1CCCC[C@H]1CO)Nc1cc(-n2cnnc2)ccc1F 96140128 YGBWSMRRMQUCIY-AWEZNQCLSA-N 362.409 1.375 0 50 FDAA O=C(O)[C@@H]1Cc2[nH]cnc2CN1C(=O)c1cc(=O)[nH]c2ccc(F)cc12 96165222 AMYJJCAKOYKCQQ-AWEZNQCLSA-N 356.313 1.042 0 50 FDAA CC(C)c1ccc(C(=O)N2CCNC(=O)[C@@H]2c2cccc(F)c2)c(=O)n1C 97743240 JHTGFXAIRFDZBZ-KRWDZBQOSA-N 371.412 1.961 0 50 FDAA Cc1cc(C(F)(F)F)nc(N2CCN(C(=O)c3ccc(N)nc3)CC2)n1 95363005 IMUUWUUEUGPSPH-UHFFFAOYSA-N 366.347 1.743 0 50 FDAA Cc1nc2ccc(-n3ncnc3[C@@H]3CCc4nn(C)c(=O)n4C3)cc2s1 91746001 FACUWXYTJDHFHX-LLVKDONJSA-N 367.438 1.811 0 50 FDAA CCOc1ccc([C@@H]2[C@H](C(=O)OC)C(=O)C[C@](C)(O)[C@H]2C(=O)OC)cc1 239432725 WFEUSWMZEFNFQO-NNFUDEMPSA-N 364.394 1.471 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2cccnc2)CN1Cc1ccoc1 96147849 GYUXAGZWMJOVPZ-IRXDYDNUSA-N 356.426 1.113 0 50 FDAA O=C1C[C@H](C(=O)N2CCN(c3nccs3)CC2)CN1Cc1cccnc1 95531078 VDELOKWUCAJQLN-HNNXBMFYSA-N 371.466 1.235 0 50 FDAA Cc1ccc2[nH]c(CN3CCC(c4nnc(CO)n4C)CC3)cc(=O)c2c1 91270173 GHVFWYVWBAFKJH-UHFFFAOYSA-N 367.453 1.837 0 50 FDAA COCc1nnc(NC(=O)CN(C)Cc2ccc3nsnc3c2)s1 244734574 NIDUFMFOYZQLPK-UHFFFAOYSA-N 364.456 1.760 0 50 FDAA O=C(N[C@@H]1c2ccccc2C[C@H]1O)N1CCN(C(=O)c2ccc[nH]2)CC1 534643572 VMKZUXFZDAQDAA-IAGOWNOFSA-N 354.410 1.140 0 50 FDAA COC(=O)c1cn(Cc2nc(-c3cccs3)no2)cc2c(=O)[nH]nc1-2 263588362 SIDFRJNUKPPACP-UHFFFAOYSA-N 357.351 1.623 0 50 FDAA Cc1cc2nc(CCNC(=O)N3CCN4C(=O)OC[C@H]4C3)[nH]c2cc1C 534634310 RDTOPJOOBSVOCC-CYBMUJFWSA-N 357.414 1.568 0 50 FDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1)NCC(F)(F)F 64625935 ZXDLUPDRWQZCIT-LBPRGKRZSA-N 365.302 1.334 0 50 FDAA CN(Cc1n[nH]c2c1CCC2)c1cc([C@H]2CCOC2)nc(NCCO)n1 299801209 WFTZJCCRULCNIZ-LBPRGKRZSA-N 358.446 1.233 0 50 FDAA O=C1N[C@H]2CCC[C@@H]1CN(C(=O)NCc1c[nH]nc1-c1cccs1)C2 584903851 YIGUCKAHQAEVOY-YPMHNXCESA-N 359.455 1.948 0 50 FDAA CSCCCNC(=O)c1ccc(-c2nc(N)c3cnn(C)c3n2)cc1 584893987 ORBHDOCMKHCIFE-UHFFFAOYSA-N 356.455 2.095 0 50 FDAA Cc1cc(N)n(CC(=O)N2CCN(c3ncnc4ccccc34)CC2)n1 952973544 UTNSIGMPVKAEKD-UHFFFAOYSA-N 351.414 1.066 0 50 FDAA COCCOCCN1CCC2(CC1)CN(CC1(C)CCOCC1)CCO2 952868312 JKJYZZQVWNXPOZ-UHFFFAOYSA-N 370.534 1.633 0 50 FDAA CN(C)c1ccc(CNC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)cn1 952981582 SLJIZHZUUJBAII-CCZBSFLLSA-N 353.474 1.972 0 50 FDAA CN(C)C(=O)C1(CNc2cnn(C)c(=O)c2Br)CCCC1 301251942 JIEGZXMTOZVJJD-UHFFFAOYSA-N 357.252 1.603 0 50 FDAA O=C(O)C[C@@H]1CN(C(=O)C2(c3ccc(F)cc3)CCOCC2)CCO1 269049520 UQMWUMRIURWYSZ-OAHLLOKOSA-N 351.374 1.576 0 50 FDAA Cc1cccc([C@H](NS(=O)(=O)c2cnn(CC(F)F)c2)C(=O)O)c1 275049451 GHNOXZYAJBBMJU-ZDUSSCGKSA-N 359.354 1.561 0 50 FDAA CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 277359964 FSXRYWGDIUZFKO-RCCFBDPRSA-N 364.417 1.315 0 50 FDAA O=C1N[C@@]2(CCOC2)C(=O)N1C1CCN(Cc2ccc(F)c(F)c2)CC1 277474868 VCMJWCRJNLTBPO-GOSISDBHSA-N 365.380 1.640 0 50 FDAA C[C@H]1CN(C(=O)c2ccc(CN3C(=O)[C@@H]4CCCN4C3=O)cc2)C[C@@H](C)O1 170592521 NAROGDXDTWALNV-VBQJREDUSA-N 371.437 1.863 0 50 FDAA CN(C)c1ncn(-c2cccc(NC(=O)N[C@H]3CCCC[C@H]3C(N)=O)c2)n1 170609553 LTHWTAVPKGTVFT-CABCVRRESA-N 371.445 1.499 0 50 FDAA CCOc1ccc(CN(C[C@@H](C)O)C2CCS(=O)(=O)CC2)cc1OC 170606920 ZGDREWDKADIOJT-CQSZACIVSA-N 371.499 1.854 0 50 FDAA O=S(=O)(NC[C@H]1CCCN1)c1ccc(OC2CCOCC2)c(F)c1 193256531 ZDTYNGXITGPNNS-GFCCVEGCSA-N 358.435 1.414 0 50 FDAA C[C@H]1CCc2ccccc2N1S(=O)(=O)NC(=O)c1cnn2cccnc12 729906780 MUZQFZZUQZKLBY-LBPRGKRZSA-N 371.422 1.545 0 50 FDAA COc1ccc(C)cc1[C@H](C(=O)O)N1CCN(C)C2(CCN(C)CC2)C1 1506430468 BDIOFCYXHYEURD-GOSISDBHSA-N 361.486 1.841 0 50 FDAA CNCCN1C(=O)CC[C@@H]2CN(C(=O)NCc3ccccc3C)CC[C@@H]21 217063811 KQCXCZMBBUHRNK-MSOLQXFVSA-N 358.486 1.737 0 50 FDAA CN1CCC[C@]2(C(=O)O)CCN(C(=O)c3nn(C)c4ccccc34)C[C@@H]12 1704298185 GMAFDTVKGLSPNI-BEFAXECRSA-N 356.426 1.584 0 50 FDAA CC(=O)c1c(C)nn(CC(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)c1C 1615935924 MBNRYAFQSFKHQZ-IAGOWNOFSA-N 356.426 1.471 0 50 FDAA Cc1cc(C[C@@H]2CN(C(=O)CC3=CSC4=NCCCN34)C[C@H]2O)n[nH]1 1704355048 LKBPZXVCMKHSNF-IUODEOHRSA-N 361.471 1.120 0 50 FDAA COc1ccc(F)c(F)c1CN1CCC2(CC1)OCC[C@@](C)(O)[C@@H]2O 1704353294 MFCUENWTSOHDKW-DLBZAZTESA-N 357.397 1.840 0 50 FDAA COc1ccccc1[C@@]1(CC(=O)N2CCCC[C@H]2CO)CC(=O)N(C)C1=O 11815291 MLFPKSMBBOEXMO-XOBRGWDASA-N 374.437 1.085 0 50 FDAA CN(C)[C@H](C(=O)NCc1cccnc1N1CCOCC1)c1ccccc1F 12386340 JUTTZBDJCHPYBW-SFHVURJKSA-N 372.444 1.976 0 50 FDAA CN(C(=O)c1ccc(=O)n(C)n1)[C@H]1CCCN(Cc2ccccc2F)C1 14980197 WSXWIUQBHOTWDM-HNNXBMFYSA-N 358.417 1.656 0 50 FDAA COCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(C(=O)OC)cc1 18107708 HQKNJVQUPXACIV-AWEZNQCLSA-N 364.423 1.456 0 50 FDAA CC1=C(C(=O)OCc2ccccc2)[C@]2(O)C(=O)c3ccccc3[C@@]2(O)N1 19314657 LKDGRJVHRHMMDN-PMACEKPBSA-N 351.358 1.380 0 50 FDAA Nc1ncc(CN2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)cn1 19642521 LCXHSXMFNZGCRS-HNNXBMFYSA-N 363.412 1.406 0 50 FDAA O=C([C@@H]1COCCN(c2nc(-c3ccccc3)no2)C1)N1CCOCC1 1857669924 DCQCTJCJEQZADD-HNNXBMFYSA-N 358.398 1.048 0 50 FDAA CN1CC[C@@H](N2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)CCC1=O 1857673965 UXVOGIJYFREIRY-PXNSSMCTSA-N 357.454 1.747 0 50 FDAA CN(C)S(=O)(=O)Nc1cccc(-n2ccnc2-c2cc[nH]c(=N)c2)c1 1857707677 YEBMSHFSTBQBJU-UHFFFAOYSA-N 358.427 1.565 0 50 FDAA COCCn1ccnc1CN1CC[C@](Cc2ccccc2)(C(=O)O)[C@@H](O)C1 1875248887 VSQQIVJTXOOGGT-FXAWDEMLSA-N 373.453 1.410 0 50 FDAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1nc3ncccn3n1)C2 212581869 KTGOWNYTRMCXQK-KGLIPLIRSA-N 354.414 1.154 0 50 FDAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)CN3CC(=O)N2CCOCC2)cc1 247895918 OMUQLSGOQRKINT-MOPGFXCFSA-N 373.497 1.450 0 50 FDAA CC(C)NC(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C[C@@]23C=C[C@H]1O3 252693302 BWKIEMWIVKCKOU-OYRIPWCXSA-N 370.405 1.222 0 50 FDAA biogenic C[C@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)CCN1 155218798 MRDJZYRJDAIMAP-VIFPVBQESA-N 361.261 1.287 0 50 FDAA CC1CC(n2nnc3c2CN(C(=O)c2ccc(OCC(=O)O)cc2)CC3)C1 902336971 JAEGUQFJYSNTCL-UHFFFAOYSA-N 370.409 1.911 0 50 FDAA O=C1CCCN1CC(=O)N1C[C@H]2COC[C@@H]1CN(CCc1ccccc1)C2 1704337552 XCTPQNQULGRXTI-OALUTQOASA-N 371.481 1.011 0 50 FDAA CN(C)[C@@H]1CN(Cc2nccn2Cc2ccccc2)C[C@@H]1n1ccnn1 859754671 JBGBQHKPRFHHCX-MSOLQXFVSA-N 351.458 1.510 0 50 FDAA Cc1noc([C@]2(C(F)(F)F)CCN(C(=O)COCc3nccn3C)C2)n1 952894377 NYADVIWASDCXLH-AWEZNQCLSA-N 373.335 1.361 0 50 FDAA CCC[C@H](C)c1nc(-c2cn(C)c(=O)n(C)c2=O)n(C2CCN(C)CC2)n1 1875325084 QQJQWIYZPPHSFL-ZDUSSCGKSA-N 374.489 1.513 0 50 FDAA O=C(N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O)c1cc2c([nH]1)CCOC2 1875403601 WKWYRCMCWUYCOV-DRZCJDIDSA-N 364.833 1.507 0 50 FDAA CN(C(=O)C1CCN(C(=O)c2ccncc2)CC1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2100482957 ITARPOQYRAHLBS-QGFMHUBQSA-N 371.481 1.942 0 50 FDAA O=C(CO[C@H]1CCCOC1)N1CCN(C(=O)c2ccc(F)cc2)CC1 2325771052 AZMDJEBZXCMSGR-INIZCTEOSA-N 350.390 1.306 0 50 FDAA Cc1ccc([C@H](O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)cc1F 2325851066 OHIWZDSBQKSRJI-MORSLUCNSA-N 373.428 1.952 0 50 FDAA Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)NCc2ccco2)cc1 814449 YOVKRFXYSRZLTJ-HNNXBMFYSA-N 362.407 1.584 0 50 FDAA CCN(CC(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccc(Cl)cc1 1057086 FSXVIEATTIMPJI-ZDUSSCGKSA-N 360.863 1.646 0 50 FDAA Cn1nnc(NC(=O)c2cc(I)ccc2Cl)n1 1108656 XXPYFJAWBKLTHI-UHFFFAOYSA-N 363.546 1.720 0 50 FDAA COC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(OC)c(OC)cc1OC 1208468 AYYVPDXJVSMPST-AWEZNQCLSA-N 352.412 1.678 0 50 FDAA Cc1cc(-c2nnc3c4ccccc4c(OCc4cn(C)nn4)nn23)no1 1489070 NZMJFRXKGUCYNP-UHFFFAOYSA-N 362.353 1.948 0 50 FDAA in-vitro COCCN1CCC[C@@]2(CCCN2C(=O)c2ccc3nn[nH]c3c2)C1=O 2356142544 XBQPHDVBOCQVQG-GOSISDBHSA-N 357.414 1.202 0 50 FDAA COc1cc2c(cc1OC)C1(CCN(CCn3cnnc3)CC1)OCC2 2356157696 RENYANIPESGJFE-UHFFFAOYSA-N 358.442 1.859 0 50 FDAA COCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(C)c2)CC1 2868896 WCPKGBSINCFAEX-UHFFFAOYSA-N 370.471 1.167 0 50 FDAA O=C(O)c1cc2c(c(S(=O)(=O)N3CCN4CCC[C@H]4C3)c1)CCCC2 248887600 QWFCKSVAMAGQMS-HNNXBMFYSA-N 364.467 1.732 0 50 FDAA CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC)C2)cc1Cl 6697517 KARHSFDFUNLLPQ-LLVKDONJSA-N 360.863 1.885 0 50 FDAA CCOC(=O)[C@@H](CCOC)NCc1cc(C)nc(N2CCCCC2)n1 225607282 TTXCIYOPSMDTHH-MRXNPFEDSA-N 350.463 1.833 0 50 FDAA O=S(=O)(NCCN1CCOCC1)c1ccc(OC(F)(F)F)cc1 20028312 IBMRNMVGBKEMSK-UHFFFAOYSA-N 354.350 1.196 0 50 FDAA Cc1nonc1OCCNC(=O)c1ccc(CSc2ncccn2)o1 55183101 KLVGUGJGMWFEOZ-UHFFFAOYSA-N 361.383 1.862 0 50 FDAA COC[C@@H](NC(=O)CCCn1cnc2ccccc2c1=O)c1ccnn1C 55307439 GFOIPNJDAAHWOL-MRXNPFEDSA-N 369.425 1.414 0 50 FDAA Cc1c(C(=O)NC[C@H](O)CO)c(-c2ccccc2)nn1-c1ccccc1 65427071 WIWZWLOYNGNVTB-KRWDZBQOSA-N 351.406 1.931 0 50 FDAA O=C(CNC(=O)c1cccs1)NCC1(N2CCCCC2)CCOCC1 117257995 PGIIXCFIIFBORC-UHFFFAOYSA-N 365.499 1.629 0 50 FDAA Cc1nn2cc(CNC(=O)[C@H]3CC(=O)Nc4ccc(F)cc43)nc2s1 65433902 NNLSNBRQXVCQAS-LBPRGKRZSA-N 359.386 1.981 0 50 FDAA C[C@@H](NS(C)(=O)=O)C(=O)NCCc1nc(-c2ccccc2)cs1 219310373 JLLIISRVZUORQI-LLVKDONJSA-N 353.469 1.407 0 50 FDAA CCNC(=O)N1CCn2nc(CN(C)C[C@@H]3Cc4ccccc4O3)cc2C1 72154067 NTQFXTMRXFAHHG-SFHVURJKSA-N 369.469 1.864 0 50 FDAA CSc1ccccc1C(=O)N1CCOC[C@](O)(CN2CCCC2)C1 77541258 JSXDHYWQQCWATE-SFHVURJKSA-N 350.484 1.708 0 50 FDAA CC(C)N1CCO[C@H](CC(=O)N2CCN(c3ccc(Cl)cn3)CC2)C1 77419052 QJHXLYDALJXVEI-MRXNPFEDSA-N 366.893 1.883 0 50 FDAA Cc1nc(C(=O)N2CCC3(CC2)CN(CCC(=O)O)C(=O)O3)c(C)o1 77470137 DINMMVAIAPSICB-UHFFFAOYSA-N 351.359 1.193 0 50 FDAA COc1cccc(CCc2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)o2)c1 328653433 WVZNXFUNDQLQRL-AWEZNQCLSA-N 367.427 1.196 0 50 FDAA O[C@H]1CCN(Cc2cccc(OCCCCN3CCOCC3)c2)C[C@@H]1O 216528485 PNNUTOANYQKYHH-PMACEKPBSA-N 364.486 1.105 0 50 FDAA COc1ccccc1N1C[C@@H](C(=O)NCc2n[nH]c3c2CCC3)CC1=O 219664168 RLXBSMBPJPYDNB-LBPRGKRZSA-N 354.410 1.576 0 50 FDAA O=C(CN1CCCC1)N1CCN(C(=O)c2ccc3c(c2)N=C(O)CO3)CC1 328958099 OJNBQTSJUCQYHC-UHFFFAOYSA-N 372.425 1.047 0 50 FDAA Cc1ccc(-n2cccn2)c(CN2CCN(CCN3CCOCC3)CC2)c1 216053843 KIKGMJVACVZQOF-UHFFFAOYSA-N 369.513 1.631 0 50 FDAA COCCCN1C[C@]2(CCCN(Cc3nnc(OC)s3)C2)CCC1=O 72448217 ZLTPELLLNSLEME-QGZVFWFLSA-N 368.503 1.788 0 50 FDAA COc1cccc(-c2cn[nH]c2C2CCN(C(=O)[C@H]3COC(=O)N3)CC2)c1 71315682 WFDKQAKLUIMLFG-MRXNPFEDSA-N 370.409 1.900 0 50 FDAA Cc1cc(F)ccc1S(=O)(=O)NCC(=O)N[C@@H](CC(=O)O)C(C)C 218057337 SKLBWGYTBXCEHC-LBPRGKRZSA-N 360.407 1.028 0 50 FDAA O=C1NCCN(CC2CCCCC2)[C@@H]1CC(=O)N1CCc2n[nH]cc2C1 72143587 FCDFMWCBKRVCDM-QGZVFWFLSA-N 359.474 1.065 0 50 FDAA CCS(=O)(=O)N1CCC[C@]2(CCC(=O)N(Cc3cccnc3)C2)C1 77506142 OAAHGXRACDUNNL-QGZVFWFLSA-N 351.472 1.636 0 50 FDAA O=C(CNC[C@@H]1CCCO1)N(Cc1nccs1)[C@@H]1CC12CCNCC2 435570634 OMQIWXGUUXZZFZ-LSDHHAIUSA-N 364.515 1.382 0 50 FDAA Cc1nc2sccn2c1C(=O)N1CCc2c(nc(N(C)C)[nH]c2=O)C1 72121624 LYDUEQSFQPXHEW-UHFFFAOYSA-N 358.427 1.052 0 50 FDAA O=C(NOCC(F)(F)F)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 370131333 HRCMZHAVQXUDJW-MNOVXSKESA-N 366.336 1.579 0 50 FDAA Cc1ccc2nc([C@H]3CCCN3C(=O)CCCS(N)(=O)=O)[nH]c2c1 72476857 NZSPQGNVLYXQDN-CQSZACIVSA-N 350.444 1.604 0 50 FDAA O=C1NC[C@]2(CCCN(C(=O)CCN3C(=O)COc4ccccc43)CC2)O1 72134548 LWLGFXTZOBVETQ-LJQANCHMSA-N 373.409 1.293 0 50 FDAA Cc1cc2ncc(C(=O)NC3CCC(N4CCNCC4)CC3)c(C)n2n1 333296874 PLRDPGXAGVLALS-UHFFFAOYSA-N 356.474 1.292 0 50 FDAA Nc1nc(Cl)cc(N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)n1 377142409 QJFHAYSMTIICER-MNOVXSKESA-N 359.817 1.853 0 50 FDAA Nc1ccnc(N2CCC[C@@]3(CCC(=O)N(Cc4ccccn4)C3)C2)n1 72428660 ZQONHQSFTCZOIW-LJQANCHMSA-N 352.442 1.863 0 50 FDAA CNS(=O)(=O)c1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)o1 282479468 JAHHXYNSMCQKOT-CHWSQXEVSA-N 368.386 1.275 0 50 FDAA O=C([C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)N1CCN(c2cnccn2)CC1 173058765 HCAUWMYXKQZDDK-JKSUJKDBSA-N 366.421 1.700 0 50 FDAA O=C(c1cccnc1)N1CCC(N2CCCn3nc(CO)cc3C2)CC1 220444403 HQAKLRJDJISQEB-UHFFFAOYSA-N 355.442 1.281 0 50 FDAA CC(C)n1cnnc1[C@H](C)NC(=O)c1cccc(-c2cc(O)nc(N)n2)c1 426423049 PEALHAXOSOMHRJ-NSHDSACASA-N 367.413 2.095 0 50 FDAA COc1cccc(-c2ccc(=O)n(CC(=O)NCc3ccccn3)n2)c1 44894056 CPJLEEBSNQQYNC-UHFFFAOYSA-N 350.378 1.630 0 50 FDAA CN(C(=O)c1cnc(O)n(C)c1=O)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C 288258436 RDGVFZAJDPFJRV-LSDHHAIUSA-N 357.410 1.804 0 50 FDAA CCc1ocnc1C(=O)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2 82115931 CSIDRNXBGSZZJG-UHFFFAOYSA-N 371.441 1.896 0 50 FDAA O=C1CC[C@@]2(CCCN(C(=O)c3ncc[nH]3)C2)CN1CCc1c[nH]cn1 82092540 WWABUWQJCCBDKT-SFHVURJKSA-N 356.430 1.220 0 50 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Cc1ccc(Oc2ncccc2CNC(=O)[C@@H]2C[C@@H](O)CN2)c(F)c1F 71315644 SXPWMJNIPUUCTN-OLZOCXBDSA-N 363.364 1.800 0 50 FDAA CN1CCC(N(C)CC(=O)N(C)Cc2ccc(-n3cccn3)cc2)CC1 72428913 RUDJBARDAQMWOV-UHFFFAOYSA-N 355.486 1.857 0 50 FDAA Cc1nc(N2CCCC2)nc(N2CCn3nc(CCC(=O)O)cc3C2)c1C 72423572 BCCAQJUMKFHFGN-UHFFFAOYSA-N 370.457 1.928 0 50 FDAA O=S(=O)(NCc1ccccc1)NC1CCN(C[C@H]2CCCO2)CC1 72169007 WFWCJIPIQXBAMS-QGZVFWFLSA-N 353.488 1.254 0 50 FDAA CC(=O)N1CC(Nc2ccc(-n3nc(C)cc3C)c(C(=O)O)c2)=CC1=O 218432136 UQOGAOBBHWAKGV-UHFFFAOYSA-N 354.366 1.872 0 50 FDAA CC(C)c1nn(C)cc1NC(=O)N1CC[C@@H](Nc2ccc3nccn3n2)C1 333287635 QSYRCVHPZRYIEL-CYBMUJFWSA-N 368.445 2.305 0 50 FDAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cccc(N2CCNC2=O)c1 77436933 DDQPHTUNGJNOER-INIZCTEOSA-N 358.442 1.689 0 50 FDAA CC[C@]1(O)CCCN(Cc2ccc(OCC(=O)N3CCOCC3)cc2)C1 216118889 MQXGMFJNMGBVNC-FQEVSTJZSA-N 362.470 1.661 0 50 FDAA Cc1cc(N2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C2CC2)C3)nc(N)n1 72140221 VJVIZTOTQDWGLR-ZDUSSCGKSA-N 359.430 1.049 0 50 FDAA 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O=C(c1ccc(CN2CCCC2)o1)N1CCC[C@H](c2cc(=O)[nH]cn2)C1 97744693 NASMKLGUEUIDJI-AWEZNQCLSA-N 356.426 1.979 0 50 FDAA CCN1CCN(C[C@@H]2CN(c3nc4ccccc4s3)C[C@@H]2CO)CC1 95355289 WZZUHTJZCOGWAQ-HZPDHXFCSA-N 360.527 1.979 0 50 FDAA Cc1cc(F)ccc1CC(=O)N1CCC2(CCC(=O)N(CCO)C2)CC1 91621402 UWKVJQWTXVAKLM-UHFFFAOYSA-N 362.445 1.900 0 50 FDAA Cn1nc(-c2ccccc2)cc1NC(=O)NCCN1CCC[C@@H](C(N)=O)C1 96136304 XATUKOHHBXCTTC-OAHLLOKOSA-N 370.457 1.406 0 50 FDAA CN(Cc1ccccc1)C[C@@H](O)COc1ccc(CN2CC(O)C2)cc1 95527660 JZUQFWMWBLWHCD-HXUWFJFHSA-N 356.466 1.735 0 50 FDAA COc1cccc(C(=O)N2CCC3(CCC(=O)N(CCO)C3)CC2)c1O 91678677 YCDCYCMGABEEFF-UHFFFAOYSA-N 362.426 1.238 0 50 FDAA Cc1n[nH]c(SCCNC(=O)[C@@H]2CCCN(C3CCOCC3)C2)n1 95385246 XKEYTPRMSZRCHD-CYBMUJFWSA-N 353.492 1.212 0 50 FDAA COC(=O)C1CCN(C[C@@H](O)COc2cccc(CN3CCC3)c2)CC1 95506929 GJEGRSVACMKJLP-GOSISDBHSA-N 362.470 1.517 0 50 FDAA O=C1C[C@@H](C(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)c2ccccc2N1 97547682 YPFALUGZJCAKLS-CQSZACIVSA-N 352.394 1.602 0 50 FDAA Cc1cc(N2CCN(c3nccc(-c4cccnc4)n3)CC2)n2ncnc2n1 97301403 QUVDJFBMNBYLIW-UHFFFAOYSA-N 373.424 1.611 0 50 FDAA CNC(=O)c1[nH]nc2c1CN(C[C@@H](C)Cc1ccc3c(c1)OCO3)CC2 97602142 MMAMSZICEADHOY-LBPRGKRZSA-N 356.426 1.735 0 50 FDAA CC(=O)N[C@H]1CN(C(=O)c2ccccc2N2CCOCC2)C[C@@H]1C1CC1 91645444 YRVJXELAWODKQD-MSOLQXFVSA-N 357.454 1.510 0 50 FDAA CCn1ccnc1[C@H]1CCCN(C(=O)CCc2c(C)nc(=O)[nH]c2C)C1 95516363 HVLFRAGXKNYIPY-HNNXBMFYSA-N 357.458 1.942 0 50 FDAA Cc1nc(C2CCN(C(=O)c3cc(=O)c4ccccc4[nH]3)CC2)cc(=O)[nH]1 95378808 KEBXYGVYFDYXKH-UHFFFAOYSA-N 364.405 1.940 0 50 FDAA COc1cccc2c1OC[C@@H](Cc1cc(N3CCOCC3)nc(N)n1)C2 95361246 IHMRJIIUDYAJFH-CYBMUJFWSA-N 356.426 1.698 0 50 FDAA Cc1ccc(-c2nc(CCn3cccn3)n([C@H]3CCS(=O)(=O)C3)n2)o1 96161910 YYJNQNUWOYTOHL-ZDUSSCGKSA-N 361.427 1.645 0 50 FDAA O=C1CC[C@@H](CN(Cc2ccccn2)C(=O)c2ccc3c(c2)OCCO3)N1 96140771 FKPCPUOUAHNTEB-INIZCTEOSA-N 367.405 1.774 0 50 FDAA COc1ccccc1N1C[C@H](C(=O)Nc2ccc3nncn3c2)CC1=O 179639277 ZGYDJGWPILMSKT-GFCCVEGCSA-N 351.366 1.730 0 50 FDAA 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O=C(NCc1nc2ccc(Cl)cc2[nH]1)NC[C@@H]1CCS(=O)(=O)C1 952973497 SQNSGNYYLNLRGQ-VIFPVBQESA-N 356.835 1.450 0 50 FDAA O=C(NCC1CCN(c2nnnn2-c2ccccc2)CC1)[C@H]1CCOC1 952991188 ZNCLZWOCQQGCNA-HNNXBMFYSA-N 356.430 1.031 0 50 FDAA O=C(N[C@H]1CCN(c2nccnc2N2CCCC2)C[C@@H]1O)c1ccccc1 1565505625 ACMDGGVXUAZFHA-IRXDYDNUSA-N 367.453 1.446 0 50 FDAA Cc1nc(N(C)C)ncc1C(=O)N[C@H]1COCC[C@@H]1Oc1ccccn1 1565528266 RKWMUBURZIFEKJ-GJZGRUSLSA-N 357.414 1.212 0 50 FDAA Cc1ccnn1CCC(=O)N[C@H]1CCOC[C@@H]1Oc1ccc(C(N)=O)cc1 1565530559 GDUCUEMPZCJPNF-IRXDYDNUSA-N 372.425 1.033 0 50 FDAA O=C(O)c1ccc(O[C@H]2COCC[C@@H]2NC(=O)c2ccc(O)cn2)cc1 1565510874 VGPAPYZCDKZDBD-HOCLYGCPSA-N 358.350 1.452 0 50 FDAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)Cc2ccc(O)c(F)c2)CN1C 95503929 COLAIIZMVBHMNA-HIFRSBDPSA-N 351.422 1.131 0 50 FDAA Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1 275289320 LNXNBQCKYXPCBM-NWDGAFQWSA-N 373.866 1.314 0 50 FDAA Cc1ccc(C)c(OCCC(=O)N2CCO[C@@H](CN(C)CC(=O)O)C2)c1 275553670 FIJXUPRPJYREEG-INIZCTEOSA-N 364.442 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Cn1cc(CCC(=O)N[C@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)cn1 15064783 KIRICKUHBOCLLM-KRWDZBQOSA-N 374.872 1.966 0 50 FDAA Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 15072884 SJQZQFWYXHLAFM-CQSZACIVSA-N 366.418 1.245 0 50 FDAA Cc1cc(CNC(=O)Cn2ncc(N(C)C)cc2=O)c(C(F)(F)F)o1 19217690 VKRPWMBQUSOSBO-UHFFFAOYSA-N 358.320 1.546 0 50 FDAA Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)CN2CC3(CCCC3)CC2=O)C1 19228973 GRJJXLAUTAWOGW-OAHLLOKOSA-N 372.469 1.634 0 50 FDAA Cn1c(=O)n(C)c2cc(CNC(=O)Cc3nc4ccccc4o3)ccc21 19957923 AJAZUYPXSADAQI-UHFFFAOYSA-N 350.378 1.877 0 50 FDAA CN(c1ccc(C(=O)NCc2nc3ncccc3o2)cc1)S(C)(=O)=O 1857680112 BNEYCUABZSQVOM-UHFFFAOYSA-N 360.395 1.549 0 50 FDAA Cn1cc(CN2CCOC3(CCN(Cc4cccnc4)CC3)CC2=O)cn1 1857691911 GJHSTKAPGSUEFW-UHFFFAOYSA-N 369.469 1.599 0 50 FDAA Cc1cccc(CCN2C[C@H]3CN(Cc4cncnc4)C[C@@]3(CO)C2)n1 1857708102 VHTJJENJWPVLGD-AZUAARDMSA-N 353.470 1.149 0 50 FDAA COCCN(C)C[C@@H](O)C1CCN(C(=O)c2cn(C)c3ccccc23)CC1 1857729252 BJZDZHQWUVSGGL-HXUWFJFHSA-N 373.497 1.970 0 50 FDAA CNC(=O)[C@H]1CC[C@H]2OCCN(C(=O)c3cnc4ccccc4n3)[C@@H]2C1 1875248546 XAQIUTOAAZUULX-JCURWCKSSA-N 354.410 1.386 0 50 FDAA CCN1CCC[C@@H](CN(C)[C@@H](C)CN2CCOCC2)[C@@H]1c1cnn(C)c1 328655358 YFVWTPJMCVOBOD-CMKODMSKSA-N 363.550 1.846 0 50 FDAA O=C1CC[C@H](C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)n2cccc21 329905391 RNHSHIUVBRPRRI-UKRRQHHQSA-N 365.455 1.032 0 50 FDAA O=C(O)[C@@H]1CN(C(=O)c2csc(Cc3ccccc3F)n2)CCO1 262973802 LYVLWEPHRVGDGB-ZDUSSCGKSA-N 350.371 1.799 0 50 FDAA O=C(O)[C@@H]1CC[C@H](C(=O)NCc2nccn2CCCc2ccccc2)N1 952889321 YHMJTVLQZOAESC-CVEARBPZSA-N 356.426 1.337 0 50 FDAA Cc1cc(-c2nnc(N3CCC(Oc4cnccn4)CC3)n2C)nc(C)n1 1875276923 NPRYLGVNCHVSAI-UHFFFAOYSA-N 366.429 1.727 0 50 FDAA O=C1CC[C@@H](CCC(=O)N2CCc3c(O)nnc(C(F)(F)F)c3C2)N1 1875341645 APGUTVDLAIANKO-QMMMGPOBSA-N 358.320 1.145 0 50 FDAA Cc1nc(-c2cccnc2)nc(O)c1CCC(=O)N1CC[C@H]2C[C@H]1CN2 1875313196 YLRCXIFTAJIREG-GJZGRUSLSA-N 353.426 1.448 0 50 FDAA Cn1ccc(-n2cnc(C(=O)N(C[C@@H]3CCCO3)c3ccnnc3)c2)n1 1875331989 IQKIGCFMJCWXNS-AWEZNQCLSA-N 353.386 1.222 0 50 FDAA Cc1nn(C)c(Cl)c1CN1CC[C@@H](NC(=O)c2cc[nH]n2)C[C@H]1C 1875328324 LGIBABPVJJAXKR-ZYHUDNBSSA-N 350.854 1.888 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)N[C@@]2(C(=O)OC)COc3ccccc3C2)C1 1875370904 IIMPZTZLRDWCRK-MGPUTAFESA-N 372.421 1.074 0 50 FDAA CN=[S@@]1(=O)CCC[C@]2(CCCN2C(=O)c2cccc(-n3cnnn3)c2)C1 1875395512 CVXHQOHIIJIGBA-WGDIFIGCSA-N 374.470 1.529 0 50 FDAA Cc1cnoc1C(=O)N1C[C@H](NC(=O)[C@@H]2CC23CC3)C2(CCOCC2)C1 1875407739 GXIDAKALRIBXNZ-KBPBESRZSA-N 359.426 1.521 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1cc(-n2ccnc2)ccn1 1875400657 IDPNRDGYQKPMCH-FRFSOERESA-N 352.398 1.033 0 50 FDAA CN1CCC[C@@H](CNC(=O)c2n[nH]c3c2CCCC3)[C@@H]1c1cncn1C 886031118 QNVKASJTBRPQBK-SCLBCKFNSA-N 356.474 1.835 0 50 FDAA Cc1nc([C@H]2COCCN2C(=O)Cn2cc(C(F)(F)F)ccc2=O)no1 1320367328 IEUBKAGYOVZQSN-LLVKDONJSA-N 372.303 1.159 0 50 FDAA CCN(C)C(=O)c1cn(CC)c2cc(N3CCNCC3)c(F)cc2c1=O 2325778207 JEYPMPXPRNLSJH-UHFFFAOYSA-N 360.433 1.662 0 50 FDAA NC(=O)CNC(=O)c1n[nH]cc1NC(=O)c1cc(Cl)c(F)cc1Cl 2325840498 CIFVJCNZYSVJMK-UHFFFAOYSA-N 374.159 1.323 0 50 FDAA CC[C@](C)(COC)C(=O)N[C@@H]1CCN(C(=O)c2c[nH]cc2C)C[C@H](O)C1 2325878560 UNXHCVZIHCPCAG-SPYBWZPUSA-N 365.474 1.468 0 50 FDAA CN(C)C/C=C/C(=O)N1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 2325885115 XDCGIVMWOZBKET-WUTDNEBXSA-N 356.514 1.917 0 50 FDAA COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)c1 4502539 AHVQGITZQZMGEM-GFCCVEGCSA-N 368.455 1.383 0 50 FDAA COCCN1C(=O)[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccncc2)C1=O 101766577 XINSSIWZHNUWKI-YESZJQIVSA-N 353.378 1.575 0 50 FDAA CN(c1ccc(C(=O)NCCCN2CCCCC2)cc1)S(C)(=O)=O 10278632 NJVZWDGZNZXUSF-UHFFFAOYSA-N 353.488 1.688 0 50 FDAA O=C(Nc1ccccc1C(=O)NC1CCCCC1)C(=O)N1CCOCC1 59765828 AYOCLCOUOJRZKT-UHFFFAOYSA-N 359.426 1.546 0 50 FDAA O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)N1CCN(c2ccccn2)CC1 112143873 NQXTZLBHKPWLQE-LBPRGKRZSA-N 371.363 1.076 0 50 FDAA COc1cccc(CS(=O)(=O)NCC(=O)N2CCc3ccccc32)c1 117916215 JBUVMYDZJCXVDS-UHFFFAOYSA-N 360.435 1.704 0 50 FDAA O=C(NCCN1CCOCC1)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 20450421 QCUZIKQAHBJCCK-LJQANCHMSA-N 373.497 1.306 0 50 FDAA CCn1c(C2CCN(c3cncc(C(=O)N4CCCC4)n3)CC2)n[nH]c1=O 67489707 ZJJCFZCSKIHMIN-UHFFFAOYSA-N 371.445 1.001 0 50 FDAA Cc1ccccc1[C@@H](C(=O)N1CCN(c2nccnc2C#N)CC1)N(C)C 65365971 IJGQOLZCVQEVIL-SFHVURJKSA-N 364.453 1.608 0 50 FDAA CCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 65362102 POLSGTSNXYKUIP-AWEZNQCLSA-N 353.488 1.541 0 50 FDAA CN1CCCn2nc(C(=O)N(Cc3ccccn3)C[C@H]3CCCO3)cc2C1 65497054 DDXWEAZWGAUSTI-GOSISDBHSA-N 369.469 1.935 0 50 FDAA COc1ccccc1C1=NS(=O)(=O)N(C)C(C(=O)N2CCCCC2)=C1 20219997 CPMNYTZETNMKEN-UHFFFAOYSA-N 363.439 1.571 0 50 FDAA Cc1ccccc1S(=O)(=O)NC(=O)C(=O)[C@@H]1C(=O)Nc2ccccc21 136542769 XKHATTCYLIMBLI-CQSZACIVSA-N 358.375 1.105 0 50 FDAA CS(=O)(=O)CCNC(=O)C1(Oc2ccc(Cl)cc2)CCNCC1 65372268 VNLACDQQHXREQW-UHFFFAOYSA-N 360.863 1.002 0 50 FDAA Cc1cnc2c(Cl)c(C(=O)N3CCC[C@@H](c4cc(=O)[nH]cn4)C3)nn2c1 23337613 RMZRKCZBEUYTJX-LLVKDONJSA-N 372.816 1.794 0 50 FDAA O=C1C[C@@H](c2ccc(F)cc2)Cc2nc(N3CCN(CCO)CC3)ncc21 20059727 RIMKDNAFTDJBIM-HNNXBMFYSA-N 370.428 1.643 0 50 FDAA CNC(=O)[C@H]1CCN(C(=O)c2cc(COc3cccc(C(C)=O)c3)[nH]n2)C1 67789278 BHYBPFIFIVDTRJ-AWEZNQCLSA-N 370.409 1.399 0 50 FDAA CSc1nc(N)cc(N2CCC[C@@H](c3nnc(CN(C)C)n3C)C2)n1 72433517 QHGHSJGFPMWPKD-LLVKDONJSA-N 362.507 1.355 0 50 FDAA O=C([C@H]1CNCCN1C(=O)Cc1ccc2ccccc2c1)N1CCCC1 72163157 CMLOQEYJGNKVIW-LJQANCHMSA-N 351.450 1.805 0 50 FDAA Cn1ccc2cc(CN3CC[C@@H](NC(=O)c4ccccn4)[C@H](O)C3)ccc21 77454571 XIZPYYIVGOYHJU-YLJYHZDGSA-N 364.449 1.939 0 50 FDAA COc1coc(C(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)cc1=O 329160471 DTBCWLYKENPIRB-SCLBCKFNSA-N 374.441 1.537 0 50 FDAA Cc1cc(C(=O)NCC2(c3ccccc3)CC2)nc2nc(O)[nH]c(=O)c12 151587730 FCVBRAHGZKKLNM-UHFFFAOYSA-N 350.378 1.794 0 50 FDAA COc1ccc(N[C@H]2CCCN(C(=O)c3cn(CCCN)nn3)C2)cc1 72148552 DEFFYYVAKHLTMM-HNNXBMFYSA-N 358.446 1.352 0 50 FDAA Cc1ncncc1C(=O)N1CCC[C@@H](c2nnc(CN3CCCC3)n2C)C1 77427419 WBOPPIRSTGCISS-OAHLLOKOSA-N 369.473 1.529 0 50 FDAA Cn1ccnc1[C@H](O)C1CCN(C(=O)c2cnc3ccccc3n2)CC1 219437190 BQFYNSMPTMVPNQ-QGZVFWFLSA-N 351.410 1.949 0 50 FDAA O=C(COc1cccc(Cl)c1)N1CCOC[C@](O)(CN2CCCC2)C1 77439682 XWPZQPPHYTVXOH-SFHVURJKSA-N 368.861 1.405 0 50 FDAA COCCn1c(C)cc(C)c(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1=O 218075779 OGCTVLOLTACSHB-OXJNMPFZSA-N 362.470 1.879 0 50 FDAA biogenic c1ccc2c(C[C@H]3COCCN3Cc3nnc4n3CCOC4)c[nH]c2c1 369705579 ZIBRUGJMHICSSL-HNNXBMFYSA-N 353.426 1.733 0 50 FDAA Cc1cc2c(cc1C)O[C@H](C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)O)C1)C2 262250566 VJJVFVGRFCMLJY-PBHICJAKSA-N 374.437 1.389 0 50 FDAA CCOCCn1c(=O)[nH]c2cc(C(=O)N(C)Cc3cn(C)nc3C)ccc21 77406091 MSEXRLXIYCLTLI-UHFFFAOYSA-N 371.441 1.680 0 50 FDAA Cn1c(CN2CCCC2)nnc1[C@H]1CCCN(c2ncccc2C(N)=O)C1 72436040 BREAMUTTXWAPTR-AWEZNQCLSA-N 369.473 1.289 0 50 FDAA Cc1c(C(=O)N2CCN(c3ccccc3)CC2)nnn1C1CCNCC1 237748266 AFASFBKLGHESQA-UHFFFAOYSA-N 354.458 1.473 0 50 FDAA COc1cc2c(cc1OC)CN(C(=O)C1(n3cnnn3)CCCCC1)CC2 49550494 NNXWVZKBJCIRFK-UHFFFAOYSA-N 371.441 1.935 0 50 FDAA NC(=O)c1ccc(O[C@@H]2CCOC[C@H]2NC(=O)Cc2ccccc2O)cc1 220037131 ALTZSTBHUNJXSV-SJLPKXTDSA-N 370.405 1.386 0 50 FDAA CCC[C@@H]1CN(S(=O)(=O)c2cc(C(=O)O)ccc2F)C[C@H]1NC(C)=O 82115182 FQLPZQYGCOPYAN-TZMCWYRMSA-N 372.418 1.449 0 50 FDAA Cc1noc(-c2ccccc2C(=O)N2CCN(c3cccnn3)CC2)n1 172934034 SAMPOUIXWLTUMT-UHFFFAOYSA-N 350.382 1.797 0 50 FDAA Cc1nc2ncccn2c1C(=O)N[C@H](Cc1ccncc1)[C@H]1C[C@H](O)C1 223069335 NMBONOVMTZIFHM-OWCLPIDISA-N 351.410 1.545 0 50 FDAA Cc1cc(N2CCN(C(=O)NC[C@@H]3CC34CCCCC4)CC2)nc(N)n1 426523227 SQEYSGASMCFFMK-HNNXBMFYSA-N 358.490 2.169 0 50 FDAA CNC(=O)c1ccn([C@@H]2CCCN(c3nnc(-c4ccon4)s3)C2)n1 283766115 NXIKTCIHPRMEEU-SNVBAGLBSA-N 359.415 1.591 0 50 FDAA CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 176300370 JRGZSYBFLNVPQD-CABCVRRESA-N 370.453 1.165 0 50 FDAA CO[C@@H]1CCOC[C@H]1NC(=O)CNC(=O)c1cc(Cl)ccc1Cl 223086284 PDHSBSYKWGHPCE-CHWSQXEVSA-N 361.225 1.643 0 50 FDAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[C@@H](Cn2ccnc2)C1 82166678 YTHVWDJLGZDMNU-INIZCTEOSA-N 367.457 1.809 0 50 FDAA Cc1cc(C(=O)NCCN2CCC[C@H](C(N)=O)C2)c2cccc(C)c2n1 82097703 MSEUQGCOUWYKHL-HNNXBMFYSA-N 354.454 1.779 0 50 FDAA CC(=O)N1C[C@H]2CN(C(=O)c3ccc(Cl)cc3F)C[C@@]2(C(=O)O)C1 426465268 PPCVOVCMYXCWJZ-QFYYESIMSA-N 354.765 1.484 0 50 FDAA CN1CC2(CCN(C(=O)NCc3cc4ccccc4[nH]3)CC2)OCC1=O 426544976 HNURMVCJKLFHRW-UHFFFAOYSA-N 356.426 1.701 0 50 FDAA COC1(OC)[C@@]2(Cl)[C@@H]3C(=O)[C@@H]4[C@@H]5C(=O)[C@@H]3[C@@]1(Cl)[C@]5(Cl)[C@]42Cl 238853291 IXQXXDRHGCNCJI-VYLQTUOHSA-N 372.031 1.557 0 50 FDAA CCN1CCN(C[C@@H]2CN(c3nc4cc(C)ccc4o3)C[C@@H]2CO)CC1 95392969 NXAIHWQHHBEFBV-IAGOWNOFSA-N 358.486 1.818 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)C(=O)c2ccccc2)CN1C1CCCCC1 96159656 JBBZGBNAQIPMSX-WMZOPIPTSA-N 371.481 1.897 0 50 FDAA O=C(c1c[nH]c2ccc(F)cc2c1=O)N1CCC2(CC1)OCCC[C@@H]2O 97819562 NXFNZZURZLLZAV-INIZCTEOSA-N 360.385 1.813 0 50 FDAA COCc1noc(C[C@@H]2CN(C(=O)c3cn4cc(C)ccc4n3)CCO2)n1 91943154 XAHCMDDZGBIWLM-CYBMUJFWSA-N 371.397 1.256 0 50 FDAA COc1cc(N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3=O)nc(N)n1 91848959 HWFHDIWIUYUUKN-LSDHHAIUSA-N 353.426 1.695 0 50 FDAA COc1ccc(Cn2cc([C@@H](C(=O)O)N(C)Cc3nnc(C)o3)cn2)cc1 95388328 QPWFUOZJPFEUBE-KRWDZBQOSA-N 371.397 1.889 0 50 FDAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N(C)Cc1ccc2nonc2c1 97797597 QAASPZWFODGAEZ-UHFFFAOYSA-N 360.395 1.451 0 50 FDAA COCCN(C)C[C@H]1C[C@H](CO)CN(C(=O)c2csc(C(C)=O)c2)C1 91621468 BAEGBDQDAMVWDY-CABCVRRESA-N 368.499 1.600 0 50 FDAA Cc1n[nH]c(SCC(=O)N2C[C@@H](C(=O)O)[C@H](c3cccc(F)c3)C2)n1 91594216 PJDHHGDVVFJVKX-QWHCGFSZSA-N 364.402 1.671 0 50 FDAA CCOc1ccc(CC(=O)N2C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C2)cc1 95500092 RYCJVPHDBJVCQY-DLBZAZTESA-N 368.499 1.660 0 50 FDAA CC(C)[C@]1(O)CN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)C[C@H]1C 91746514 RXONNMNGQQSKTI-DYESRHJHSA-N 359.514 1.913 0 50 FDAA CSc1nn2c(=O)cc(CN(C)Cc3n[nH]c4c3CCC4)nc2s1 244882776 XYWNATDQOBHPCA-UHFFFAOYSA-N 362.484 1.717 0 50 FDAA CC(=O)N1CC[C@@H](NC2CCN(c3ccccc3Cl)CC2)[C@H](O)C1 244866428 VWBKUMRMFLDZGR-SJLPKXTDSA-N 351.878 1.880 0 50 FDAA CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1nn(C)cc1Br 294069514 YJSIWBHPHJSESO-KGYLQXTDSA-N 372.263 1.839 0 50 FDAA Cc1oc(CNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)cc1C(=O)O 299748944 IOUPSOVGSCKHSK-LBPRGKRZSA-N 357.366 1.346 0 50 FDAA O=C(NCc1ccc2c(c1)OCO2)N1CCN(CCc2ccncc2)CC1 263587680 JXTMBGDQUBCRNQ-UHFFFAOYSA-N 368.437 1.880 0 50 FDAA CCc1nc2cc(-c3ccc(C(=O)NCCS(C)(=O)=O)cc3)cnc2[nH]1 534639513 WFJMYWLFLHVAKZ-UHFFFAOYSA-N 372.450 1.962 0 50 FDAA CS(=O)(=O)N1CCCC[C@@H]1CCNC(=O)Cc1n[nH]c2ccccc12 299764273 SOYJSYGVYFQSOZ-CYBMUJFWSA-N 364.471 1.426 0 50 FDAA CS(=O)(=O)NCCn1cnc2cc(-c3ccc(F)cc3)sc2c1=O 584893186 AOFZZFSGFMBIFR-UHFFFAOYSA-N 367.427 1.813 0 50 FDAA Cc1cc(S(=O)(=O)NCCN2CCC[C@H](CO)C2)c(C)cc1Cl 670465623 LJCYIIDDMUMBAS-AWEZNQCLSA-N 360.907 1.939 0 50 FDAA CC(C)(C)c1cc(CN2CC[C@H](NC(=O)c3cccnc3)[C@@H](O)C2)[nH]n1 1565531431 PJYOXRZAIFNOET-HOTGVXAUSA-N 357.458 1.467 0 50 FDAA COc1cccc2c1OC[C@@]1(C(=O)O)CN(c3cc(C)nc(N)n3)C[C@@H]21 1565516313 ZLGPNJRXIXQRTM-SGTLLEGYSA-N 356.382 1.443 0 50 FDAA NC(=O)c1ccc(O[C@H]2COCC[C@@H]2NC(=O)Cc2ccccc2F)cc1 1565525998 HJCGNDQELGXKJA-ROUUACIJSA-N 372.396 1.820 0 50 FDAA CC[C@H]1[C@H](C(=O)NCCN(C)CCOC)CCN1C(=O)OC(C)(C)C 390832862 HEWNMLWNUFACTH-CABCVRRESA-N 357.495 1.716 0 50 FDAA CC(C)C[C@H](C(=O)N(C)c1ccn(C)n1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 274721179 BIGSSECLXRHMNJ-QLFBSQMISA-N 358.442 1.749 0 50 FDAA Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1CC(NC(=O)C2CCC2)C1 170609689 INOMVBWLASTDCC-UHFFFAOYSA-N 358.442 1.829 0 50 FDAA CN(CC1(O)CCOCC1)C(=O)CN1CCOc2ccc(Cl)cc21 188064161 BIJTXBNIKLGJAS-UHFFFAOYSA-N 354.834 1.539 0 50 FDAA CCC[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc2c1OC(C)(C)C2 192647119 WGMBVGXGVMGEHP-ZDUSSCGKSA-N 352.456 1.689 0 50 FDAA CC(C)c1cc(C(=O)Nc2ccnn2C2CCN(C)CC2)nc2ncnn12 1506401600 KBDJYSWFSVXABB-UHFFFAOYSA-N 368.445 1.963 0 50 FDAA Cc1cccc(Cn2ncc(C)c2NC(=O)[C@H]2CCCN(CC(N)=O)C2)c1 1506405446 JHFVKEWHMNFJCH-KRWDZBQOSA-N 369.469 1.684 0 50 FDAA Cc1cc2n(n1)CCN(C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1C)C2 1529168625 INCIISNUKMASBW-MOPGFXCFSA-N 368.437 1.441 0 50 FDAA COc1ccc2c(C(=O)N3C[C@H]4COC[C@@H](C3)CN4C)cc(C)nc2c1 1704310450 XKKOVPCJBXHVSV-CABCVRRESA-N 355.438 1.954 0 50 FDAA COc1cc(C)c(S(=O)(=O)N2C[C@@H]3COCC[C@]3(CO)C2)c(C)c1C 1772708560 CESZABGRPIYQCB-CRAIPNDOSA-N 369.483 1.640 0 50 FDAA O=C(O)[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CC12CCOCC2 1775980328 YNDMDIKZCHCUPW-NSHDSACASA-N 359.831 1.842 0 50 FDAA COc1cccc(Cn2c(NCC(C)C)nc3c2c(=O)n(C)c(=O)n3C)c1 13116138 MVUDKBWJWGPPMZ-UHFFFAOYSA-N 371.441 1.559 0 50 FDAA biogenic CC[C@@H](C(=O)N1CCOCC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716047 CARKIUYYXIPGLT-INIZCTEOSA-N 354.472 1.707 0 50 FDAA CCNC(=O)c1nn(Cc2ccccc2)c2c1C[C@H](NCCCO)CC2 14750326 VGCSUZZNQNLPOR-MRXNPFEDSA-N 356.470 1.510 0 50 FDAA O=C(NC1(c2ccccc2)CC1)[C@@H]1CCC(=O)N(CCN2CCOCC2)C1 19773139 ASDOCXTVJXXUNC-QGZVFWFLSA-N 371.481 1.363 0 50 FDAA CCN(C)c1cc(N2C[C@H](O)C[C@@H]2CNC(=O)c2ccnc(C)c2)ncn1 1857527664 BXEDJPBOHOMVOY-HZPDHXFCSA-N 370.457 1.006 0 50 FDAA COC(=O)c1cc(=N)[nH]c(N2CC[C@H](c3cccc(OC)c3OC)C2)n1 1857670640 CSXNDRPDYCPGQP-NSHDSACASA-N 358.398 1.687 0 50 FDAA CC1(C)CC(NS(=O)(=O)CC[C@H]2CCS(=O)(=O)C2)CC(C)(C)N1 1857683961 STPGFCCPUYEEBW-GFCCVEGCSA-N 366.549 1.040 0 50 FDAA CCCn1cc(C(=O)N[C@H]2CC[C@@H](NC(=O)Cc3cc(C)no3)C2)c(C)n1 1857689944 PSBCKDWFXQHYJR-CABCVRRESA-N 373.457 1.908 0 50 FDAA Cc1cc(C[C@@H]2CN(C(=O)CCc3n[nH]c4c3CCCC4)C[C@@H]2O)n[nH]1 1857712752 GFCVYXRKUXFWCK-ACJLOTCBSA-N 357.458 1.315 0 50 FDAA CCCCc1nc(C)cc(=NCCNC(=O)[C@@H]2CCn3nccc3C2)[nH]1 1857734883 WWSHWSVGMTYDEP-OAHLLOKOSA-N 356.474 1.537 0 50 FDAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(C(=O)CCc3ccc(O)nn3)C[C@H]12 1857736743 UAUQUXCAENTTJI-ATZCPQFDSA-N 359.426 1.575 0 50 FDAA COc1nc(N2C[C@@H]3OCCC(=O)N(Cc4ccccc4)[C@H]3C2)ncc1F 1857738228 XTSLYCWFVFBMEV-HOTGVXAUSA-N 372.400 1.631 0 50 FDAA CCOc1ccc(S(=O)(=O)N2C[C@H]3COC[C@H](CN3C)C2)cc1C 1875249107 ICCQCBAUDTZKAV-CABCVRRESA-N 354.472 1.345 0 50 FDAA COc1cc(-c2cc(=NC(=O)CN3CCCCC3)[nH][nH]2)cc(OC)c1OC 1875251510 QGZPBFWIAJTVGA-UHFFFAOYSA-N 374.441 1.949 0 50 FDAA NCCCOC1CCN(C(=O)c2nc(N3CCCC3)ncc2Cl)CC1 237855921 GDNOCXYDEBUXOS-UHFFFAOYSA-N 367.881 1.700 0 50 FDAA CCc1c(C(=O)NCC(C)(C)N2CCS(=O)CC2)[nH]c(C)c1C(C)=O 265098505 GMYKXEZBFBQEFV-UHFFFAOYSA-N 367.515 1.661 0 50 FDAA COCC(=O)N[C@H](C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C(C)C 265921080 UMBGNZAWJRZYBL-HKUYNNGSSA-N 361.486 1.554 0 50 FDAA Cn1c(C(=O)N2CC[C@@H](C(=O)O)C2)cc2cc(Br)cnc21 909419059 CIEXMMQEKUMESJ-MRVPVSSYSA-N 352.188 1.883 0 50 FDAA O=C(CCc1ccc(F)c2c1CCCC2)NN1CCS(=O)(=O)CC1 869408993 IAHIPRWSANBZRE-UHFFFAOYSA-N 354.447 1.399 0 50 FDAA CCOC(=O)c1sc(N(C)C(=O)CCCN2CCOC2=O)nc1C 1875259491 FDPZLFPWVXIJMD-UHFFFAOYSA-N 355.416 1.823 0 50 FDAA Cc1conc1CC(=O)NC[C@H]1CCCN1C(=O)[C@H](C)c1cnn(C)c1 1875331781 CJVYATHMSISQKJ-UKRRQHHQSA-N 359.430 1.170 0 50 FDAA O=C(N[C@H]1CCCNC1)c1ccc(-c2ccc3c(c2)C(=O)NCCO3)nc1 1875313043 GKKOKXIKPFUVFF-HNNXBMFYSA-N 366.421 1.353 0 50 FDAA Cc1ccc(-n2ccnc2)c(C(=O)N[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)c1 1875403647 XHDYGEXILFLTRG-KVSKMBFKSA-N 365.437 1.947 0 50 FDAA Cc1nn(C)cc1[C@H]1OCC[C@@H]1NC(=O)c1ccc2c(c1)CCC(=O)N2 886084542 HNVGVVZEVLDFDM-FUHWJXTLSA-N 354.410 1.873 0 50 FDAA COc1ccccc1C(=O)NC[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 886079640 GYGUQLUJCFFUFW-ACJLOTCBSA-N 356.426 1.768 0 50 FDAA NS(=O)(=O)C[C@H]1CCCN1C(=O)Cc1ccccc1Br 330767422 LKIFTKLTLLHDES-LLVKDONJSA-N 361.261 1.271 0 50 FDAA CC1(C)O[C@H]2[C@H](CO)O[C@@H](n3cnc4c(Cl)nc(Cl)nc43)[C@@H]2O1 1857777674 LZDIYWCJZOULCR-WOIOKPISSA-N 361.185 1.543 0 50 FDAA COc1ccccc1[C@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)C1 2325786827 HMNOFDNOUBMKKU-KKUMJFAQSA-N 368.437 1.844 0 50 FDAA O=S(=O)(CC[C@H]1CCc2ccccc21)N1CCN(c2ncc[nH]2)CC1 2325803774 ANWHQBQGVIFNMK-MRXNPFEDSA-N 360.483 1.982 0 50 FDAA C[C@@H](N=c1nc(N(C)C)[nH]c(N(C)C)n1)c1ccc(N2CCCC2=O)cc1 2325824620 JSTCWLJNGOJPRU-CYBMUJFWSA-N 369.473 1.725 0 50 FDAA Cn1cnc2nc(N[C@@H]3C[C@H]4CO[C@@H](c5ccccc5)CN4C3)ncc21 2356149322 UZTUBSWOHLQXMF-HLLBOEOZSA-N 350.426 1.990 0 50 FDAA CCc1nnc(N2C[C@H](C(=O)N=c3[nH]oc4ncccc34)CC2=O)s1 2356169733 XSACGCAECJVDRZ-MRVPVSSYSA-N 358.383 1.050 0 50 FDAA Cn1c(=O)n(C)c2cc(NC(=O)Cn3c(=O)oc4ccccc43)ccc21 8569911 MCJXRXNQPIOZMA-UHFFFAOYSA-N 352.350 1.424 0 50 FDAA CCCS(=O)(=O)CC(=O)N1CCN(c2nc3cc(C)ccc3o2)CC1 112264702 RIWSTBWMJXJKNP-UHFFFAOYSA-N 365.455 1.610 0 50 FDAA CCOc1ccccc1[C@H](CC(=O)N1CCN2CCC[C@H]2C1)NC(C)=O 246014483 LMRVVEYPCRKRIM-WMZOPIPTSA-N 359.470 1.959 0 50 FDAA Cn1cc([C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)c(Cl)c3)C2)cn1 116470077 GDEIYSDFQOFOJV-LLVKDONJSA-N 368.846 1.351 0 50 FDAA O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1CC(=O)N(CCc2ccccc2)C1 179786820 WSRXRAKCIZCEMK-VQTJNVASSA-N 366.461 1.797 0 50 FDAA O=C(NC[C@@H](O)CO)c1cc(COc2cccc(C(F)(F)F)c2)[nH]n1 67934386 TXSYUEHEESPZDR-LLVKDONJSA-N 359.304 1.091 0 50 FDAA CCS(=O)(=O)NCc1ccc(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc1 247296786 LDEFACIDGNHNHM-RHSMWYFYSA-N 367.515 1.584 0 50 FDAA COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)c1ncn(C)n1 464401051 FVVQLYINTDXKBG-NSHDSACASA-N 367.203 1.564 0 50 FDAA CCN(Cc1cc2c(cc1OC)OCCCO2)[C@@H]1CCS(=O)(=O)C1 67786561 RNTDFSCELQHPET-CQSZACIVSA-N 355.456 1.866 0 50 FDAA CC(C)N1CCC(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1 65423257 NLJTYYXAUNRCSP-UHFFFAOYSA-N 353.488 1.461 0 50 FDAA O=C(NC[C@@H](c1cccnc1)N1CCCC1)c1cc2n(n1)CCCNC2 65526373 NNWZPIRAEXQCSJ-SFHVURJKSA-N 354.458 1.338 0 50 FDAA CN1CCCNC(=O)C12CCN(Cc1ccc(-n3ccnc3)cc1)CC2 67688390 YJPXWURAFPTJFS-UHFFFAOYSA-N 353.470 1.659 0 50 FDAA Cc1ccc(NC(=O)c2ccc(=O)n(C)c2)cc1C(=O)N1CCOCC1 470456300 OTBBGRCPGBGCOF-UHFFFAOYSA-N 355.394 1.418 0 50 FDAA CC(=O)Nc1ccc(CNC(=O)CN2CCCN(C(=O)C3CC3)CC2)cc1 65460795 DHXDKHOXVVMRTI-UHFFFAOYSA-N 372.469 1.206 0 50 FDAA S=C(NCc1ccco1)N1CCN(C(=S)NCc2ccco2)CC1 2799960 FDZPAOSGOWKSEX-UHFFFAOYSA-N 364.496 1.939 0 50 FDAA CCNc1nc(C)c(C(=O)N2CCOC[C@@](O)(CN3CCCC3)C2)s1 77378355 VCDPPTMYJTXWRO-QGZVFWFLSA-N 368.503 1.183 0 50 FDAA CN1C(=O)C[C@@H](CNc2ncncc2Br)[C@@H]1c1cnn(C)c1 328611256 KYABSTCQVJGSBT-TVQRCGJNSA-N 365.235 1.604 0 50 FDAA CS(=O)(=O)CCN1CCN(c2nccc(CCC(F)(F)F)n2)CC1 71771020 FQBIWDAKVCZZBQ-UHFFFAOYSA-N 366.409 1.138 0 50 FDAA O=C(CC[C@@H]1CCOC1)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1 328616442 BRWKGNXKTISUSV-WBVHZDCISA-N 360.458 1.793 0 50 FDAA CCc1noc2ncc(S(=O)(=O)NC[C@H]3CCn4ccnc4C3)cc12 328630684 QEDUSFDRFCYHHC-NSHDSACASA-N 361.427 1.523 0 50 FDAA CC(C)(O)CCc1ccc(C(=O)NCCN2CCC[C@H](C(N)=O)C2)cc1 72480133 MNPAJHSPCUPMBX-KRWDZBQOSA-N 361.486 1.317 0 50 FDAA Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(C(=O)c2cccnn2)C1 72425999 GXQRZMCWTQRZJJ-HNNXBMFYSA-N 369.473 1.611 0 50 FDAA CCCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)cc1F 72149483 HJFVYQOGLLOIMM-MRXNPFEDSA-N 351.422 1.441 0 50 FDAA CS(=O)(=O)N[C@@H]1CCCN(C(=O)NCC2(c3cccc(F)c3)CC2)C1 154497984 PNXDDUALRUFCAE-OAHLLOKOSA-N 369.462 1.581 0 50 FDAA O=C1CCCN1CCN1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 72418177 WMRUCNBJULVXFK-OAQYLSRUSA-N 370.497 1.909 0 50 FDAA CCn1c([C@H]2CCCN(C(=O)c3cc4ccccc4[nH]c3=O)C2)n[nH]c1=O 71315228 KNKKRZJQZOHLBV-ZDUSSCGKSA-N 367.409 1.453 0 50 FDAA C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC(CC(N)=O)CC1 124898345 RRZVBNIAXXCIIH-VQIMIIECSA-N 372.513 1.353 0 50 FDAA Cc1cnc2c(Cl)c(C(=O)NCCN3CCCC[C@@H]3CO)nn2c1 216520638 JEVRPTNCIFYHOA-GFCCVEGCSA-N 351.838 1.268 0 50 FDAA Cc1cccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CCCO)C2)c1 72421256 PGSDEWXTICCZBJ-ZWKOTPCHSA-N 359.470 1.900 0 50 FDAA Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CCCC(N)=O)C2)CC1 72164312 WJRKDRKXHINWTP-GOSISDBHSA-N 372.513 1.764 0 50 FDAA Cc1cnc2c(C(=O)N[C@@H]3CCOC[C@H]3OCc3cscn3)cnn2c1 218976257 XSCVDJLBEJXTPE-HUUCEWRRSA-N 373.438 1.598 0 50 FDAA COc1ccccc1-n1cc(CN2CCn3nc([C@@H](O)CO)cc3C2)cn1 219879722 ULSHWSCCHXOYIW-SFHVURJKSA-N 369.425 1.119 0 50 FDAA COc1c(C)cccc1C(=O)N1CCC[C@]2(CCC(=O)N(CCO)C2)C1 77542390 CCKOEEXKMBJTKR-HXUWFJFHSA-N 360.454 1.841 0 50 FDAA CC(C)CCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCc4n[nH]cc4C2)[C@H]3C1=O 77337255 JJIDONZCGCRTBV-CLWJZODNSA-N 370.453 1.123 0 50 FDAA C[C@]1(c2cccc(C(=O)N3CCC[C@H](CCC(=O)O)C3)c2)NC(=O)NC1=O 262955266 NHBDAWIXLZIDBU-CWTRNNRKSA-N 373.409 1.458 0 50 FDAA Cn1ccc(C(=O)N2CCC(c3nnc(CN4CCCC4)n3C)CC2)n1 77470086 NTXGBTCGWRHTAF-UHFFFAOYSA-N 357.462 1.164 0 50 FDAA O=C(NC1CC1)c1cccc(S(=O)(=O)N2CCOCC23CCC3)c1 333417129 HKEODPZMHTZDTB-UHFFFAOYSA-N 350.440 1.522 0 50 FDAA COc1cccc(CN2CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)CC2=O)c1 77387706 XSIDACYEACGAFQ-MRXNPFEDSA-N 373.453 1.123 0 50 FDAA CCC[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@H]1NS(C)(=O)=O 82091509 JILNSYIYHIITGZ-CHWSQXEVSA-N 354.428 1.205 0 50 FDAA COCCN(Cc1ccccn1)C(=O)Cn1ccc([C@@H]2CCCNC2)n1 426525958 MLQWXONCUSUJMG-MRXNPFEDSA-N 357.458 1.420 0 50 FDAA Cn1nccc1S(=O)(=O)N1CCCC[C@H]1c1nnc(C2CCC2)o1 286443495 WTGHVTRUCKTABM-LBPRGKRZSA-N 351.432 1.987 0 50 FDAA NC(=O)[C@H]1CCO[C@@H]1C1CCN(C(=O)Cc2ccc(F)cc2F)CC1 284700659 ZZYRVNVAHJJVLW-WMLDXEAASA-N 352.381 1.636 0 50 FDAA CN(C)C[C@@]1(O)CCCN(C(=O)c2ccc(-c3cnc(N)nc3)cc2)C1 426722454 PULRUAHWRWFIPR-IBGZPJMESA-N 355.442 1.255 0 50 FDAA Cc1ccc(N2CCC[C@@H](NC(=O)NCCNC(=O)C(C)C)C2=O)cc1 174823767 NADXFWGCKQAZRG-MRXNPFEDSA-N 360.458 1.562 0 50 FDAA COc1cccc(N2C[C@@H](C)N(C(=O)c3cnc(C)nc3C)CC2=O)c1 82083382 FXMDCCQIYHMXEK-GFCCVEGCSA-N 354.410 1.980 0 50 FDAA Cn1ccnc1[C@@H](O)C1CCN(CCn2c(=O)oc3ccccc32)CC1 89926034 CACQKPUJZOINHH-KRWDZBQOSA-N 356.426 1.774 0 50 FDAA COc1ccc([C@@H](C)CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 176231479 QXIHADOLNGIVAM-KRWDZBQOSA-N 373.497 1.955 0 50 FDAA N[C@H]1CN(C(=O)CCn2c(=O)[nH]c3ccccc32)C[C@@H]1c1ccccc1 91586118 AKKIHSYGGAXMPR-CVEARBPZSA-N 350.422 1.673 0 50 FDAA O=C(c1cccc(S(=O)(=O)NCc2ncc[nH]2)c1)N1C[C@@H]2CCC[C@H]1C2 95379320 DNONFKDDNWVMTC-HIFRSBDPSA-N 374.466 1.903 0 50 FDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H](C)n1cccn1)CC2 95526450 FVJBQXLENUGPDI-AWEZNQCLSA-N 370.457 1.480 0 50 FDAA CNC(=O)Cc1cccc(NC(=O)N(CCOC)Cc2cnn(C)c2)c1 97394085 FIRZKBWOWBVGIG-UHFFFAOYSA-N 359.430 1.389 0 50 FDAA O=C(c1[nH]nc2c1CCC2)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)O)C1 95357901 VKIICHKOKOPREZ-BFUOFWGJSA-N 353.378 1.601 0 50 FDAA COCCN(Cc1ccncc1)C(=O)Cc1ccc(-n2cnnn2)cc1 97819596 SXQKQDYERKPXQI-UHFFFAOYSA-N 352.398 1.275 0 50 FDAA CSc1ccc(CC(=O)N2CCC3(CC2)[C@@H](OCCN)C[C@H]3O)cc1 91505586 ZERBIVKPRZMSCH-SJORKVTESA-N 364.511 1.668 0 50 FDAA Cc1nnc(CN2CCC(c3nnc(Cn4cccn4)n3C3CC3)CC2)o1 91713019 KDLIKLMJXJAEHG-UHFFFAOYSA-N 368.445 1.929 0 50 FDAA CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1nc(N)nc3c1CCCC3)CC2 91846584 AAYWXZGGEGUINX-CABCVRRESA-N 360.458 1.330 0 50 FDAA CCn1ccc(C(=O)N2CCC[C@@H](c3nnc(Cn4cccn4)n3C)C2)n1 91452113 XTWZVTDEKYBNJU-CQSZACIVSA-N 368.445 1.296 0 50 FDAA COc1ccccc1OCCCn1ncc(N2CC[C@@H](CN)C2)cc1=O 23431226 RNIROHWLXAQBCU-HNNXBMFYSA-N 358.442 1.506 0 50 FDAA C[C@@H](O)CCCn1nc(C(=O)N[C@@H](C(N)=O)C(C)(C)C)c2ccccc21 96024651 PLWUNCALBOFEBI-WBMJQRKESA-N 360.458 1.827 0 50 FDAA in-vitro CCN(C)Cc1ccc(OC[C@@H](O)CN2CCC(C(=O)OC)CC2)cc1 95503126 SJMHHGKTFCVCLT-SFHVURJKSA-N 364.486 1.763 0 50 FDAA O=C(CN1CC[C@H](S(=O)(=O)N2CCCC2)C1)Nc1ccc(Cl)cn1 178601605 QXIUFTLZLURPHE-ZDUSSCGKSA-N 372.878 1.173 0 50 FDAA CCN(C(=O)Cc1csc(NC(=O)C(C)C)n1)[C@H]1CCS(=O)(=O)C1 298625520 BPOFRTJSDBITCE-LBPRGKRZSA-N 373.500 1.316 0 50 FDAA CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)C1 181506986 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O=C(O)c1cc(S(=O)(=O)NCCN2CCc3sccc3C2)cs1 238201048 CVCBWOAJFMASGE-UHFFFAOYSA-N 372.493 1.844 0 50 FDAA O=C(O)/C=C\C(=O)NNC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 32609446 XQSCLBPMQAOQSI-YUQCYMQKSA-N 350.374 1.781 0 50 FDAA CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cc(N3CCCC3)ccn2)C1 369367689 BSRODODLFYIQMM-GOEBONIOSA-N 357.414 1.975 0 50 FDAA O=C(CCn1c(=O)[nH]c2ccccc21)N1CCN(C(=O)c2ccc[nH]2)CC1 215766177 PBWLXDKFRLLABH-UHFFFAOYSA-N 367.409 1.032 0 50 FDAA O=C(NCCn1ccnc1)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71751824 XWDKOZYZZRYYBH-QGZVFWFLSA-N 373.501 1.112 0 50 FDAA CC(C)Nc1ncc(C(=O)N[C@H]2CC(=O)N(CCc3ccccc3)C2)cn1 72159266 RFDBSEMYPBYUIP-KRWDZBQOSA-N 367.453 1.870 0 50 FDAA CCC[C@H](NC)C(=O)NCc1cc2c(nc1OC)CN(C1CCCC1)C2=O 71747380 UYUIQKASQQBTJA-INIZCTEOSA-N 374.485 1.993 0 50 FDAA O=C(COc1cccc(-n2cnnn2)c1)N1CCC(c2ccncc2)CC1 77535025 YCHVTTXUBZRLSL-UHFFFAOYSA-N 364.409 1.842 0 50 FDAA CC(C)Cc1cn(C2CCN(C(=O)c3cn4cccnc4n3)CC2)nn1 48422238 RBNJZXLXXPCLTJ-UHFFFAOYSA-N 353.430 1.997 0 50 FDAA Cn1cc(C(=O)N2CCCC[C@@H]2CCc2cccc(O)c2)c(=O)[nH]c1=O 222336995 INUNWVLLWRNFFJ-CQSZACIVSA-N 357.410 1.407 0 50 FDAA COc1ccc(OC)c(CC(=O)NCCc2nc(-c3cccnc3)n[nH]2)c1 221246175 MFVCIDUXWWUVOB-UHFFFAOYSA-N 367.409 1.785 0 50 FDAA Cn1cc([C@@H]2C[C@@H]2C(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)cn1 239882085 DAENSWZGFANEMY-OKZBNKHCSA-N 368.437 1.958 0 50 FDAA Cn1cc(N2CCN(C(=O)NCc3nncn3-c3ccccc3)CC2)cn1 174170773 ZIQNLTQRGPUNMW-UHFFFAOYSA-N 366.429 1.033 0 50 FDAA NC(=O)[C@H]1CCO[C@@H]1C1CCN(C(=O)Cc2cccc(F)c2F)CC1 284686892 YPGZTYABCQUUJR-SUMWQHHRSA-N 352.381 1.636 0 50 FDAA CC(C)n1cc([C@@H]2CN(S(=O)(=O)c3cccnc3)C[C@H]2CO)cn1 285150586 TVZLARQSQHKIDX-HOCLYGCPSA-N 350.444 1.256 0 50 FDAA NC(=O)[C@@H]1C[C@@H](C(=O)O)CCN1S(=O)(=O)c1csc2ccccc12 285204516 RLXUNXDGKQHJFJ-ONGXEEELSA-N 368.436 1.241 0 50 FDAA Cc1c(CN2CCCn3nc(CNC(=O)C4CCC4)cc3C2)cnn1C 82116248 RMLIYIDBCGSDJO-UHFFFAOYSA-N 356.474 1.747 0 50 FDAA CC(=O)c1cc(Br)ccc1OCC(=O)NCC1(C)OCCO1 285642287 BPKWYIKKFHQWOU-UHFFFAOYSA-N 372.215 1.910 0 50 FDAA Cc1nn(C)cc1[C@@H](C)NC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 176354042 GWXAQMKZMNFTRU-RISCZKNCSA-N 359.434 1.018 0 50 FDAA COc1ccccc1-c1noc(CCC(=O)N[C@H](C)c2nc(N)n[nH]2)n1 426429849 SFLMHGZJJHDKAK-SECBINFHSA-N 357.374 1.256 0 50 FDAA CC(C)CN1CCn2nc(CNC(=O)[C@H](O)c3ccc(F)cc3)cc2C1 82166262 DTFJWSMULJMFCU-GOSISDBHSA-N 360.433 1.844 0 50 FDAA COc1ccc(F)c(F)c1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 222866754 QIPPKKCFPKALBC-GFCCVEGCSA-N 368.380 1.684 0 50 FDAA Cc1cnc(N2CCCn3nc(CNC(=O)N(C)C)cc3C2)nc1N(C)C 82121817 WLIWOXXQABSESM-UHFFFAOYSA-N 372.477 1.229 0 50 FDAA CCn1cc(CN2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)cn1 426429828 PFHVVBVAKXDORB-KRWDZBQOSA-N 373.505 1.243 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2scnc2C)CN1Cc1ccccc1 96179715 OCEGOAALIBLTKR-HOTGVXAUSA-N 372.494 1.961 0 50 FDAA O=C(Cn1cnc2ccsc2c1=O)N1CCOc2ccc(CO)cc2C1 426507887 NNJNRESHBHGWPT-UHFFFAOYSA-N 371.418 1.372 0 50 FDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C[C@@H]1C=CCC1)CC2 95527941 HFXASCYBOVHEME-OAHLLOKOSA-N 372.469 1.615 0 50 FDAA CC(C)(CNC(=O)N1CCC[C@@H](c2cc(O)ncn2)C1)N1CCOCC1 426668197 CAEXUOTYSWWVDY-CQSZACIVSA-N 363.462 1.182 0 50 FDAA COCc1ncc(CN2C[C@@H](NC(C)=O)[C@H](c3ccc(OC)cc3)C2)cn1 91745359 XPFHEKYYOVVUAE-RBUKOAKNSA-N 370.453 1.736 0 50 FDAA Cc1nc2ccc(NC(=O)N[C@H]3COC[C@@H]3N3CCOCC3)cc2nc1C 96163817 QTHRKFYRTQSGGT-ROUUACIJSA-N 371.441 1.468 0 50 FDAA O=S1(=O)C=C[C@H](Cc2nc(C3CCOCC3)nn2-c2cccnc2)C1 96163710 NCUDIJPMLORCFK-CYBMUJFWSA-N 360.439 1.657 0 50 FDAA CC[C@@H](NC(=O)C1CCN(C(=O)c2ccncc2)CC1)c1nc(C)no1 426425100 AXCHHHWTVWMYAM-OAHLLOKOSA-N 357.414 1.893 0 50 FDAA Cc1cccc(CNc2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)n1 96152208 KZZCXZAHURSUHZ-UHFFFAOYSA-N 371.441 1.991 0 50 FDAA Cc1nccn1Cc1nnc([C@H]2CCCN(C(=O)c3cccnc3)C2)n1C 95366608 MZNXJAVYTHNAIS-INIZCTEOSA-N 365.441 1.783 0 50 FDAA CC(C)c1nc(CN2CCC3(CCC(=O)N([C@@H](C)C(=O)O)C3)CC2)no1 91435365 DFUNKLVLWHAQBY-ZDUSSCGKSA-N 364.446 1.871 0 50 FDAA C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1csc(-c2cnccn2)n1 291016424 VACWAXMMJXTWAI-IUODEOHRSA-N 359.455 1.535 0 50 FDAA COCC(=O)N1CCC[C@@H](C(=O)NC2(c3cc(F)ccc3F)CC2)C1 95357002 JQBFENQPAFQTFI-GFCCVEGCSA-N 352.381 1.955 0 50 FDAA O=C(O)[C@@H]1Cc2nc[nH]c2CN1C(=O)C1CCN(Cc2ccco2)CC1 97522424 LNRORAOZEHAURY-INIZCTEOSA-N 358.398 1.253 0 50 FDAA Cc1cc(C)n(CCn2cc(-c3ccc(-c4cc[nH]n4)o3)nn2)c(=O)n1 92078073 RJIJNCNIMGCNKH-UHFFFAOYSA-N 351.370 1.802 0 50 FDAA CCN1CCC(N2CCN(C)[C@]3(CCC(=O)N(CC4CC4)CC3)C2)CC1 91807956 KKKGDTRPKQLTQT-NRFANRHFSA-N 362.562 1.879 0 50 FDAA CN(C)C(=O)NCC(=O)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2 95360207 AJFRIHQUSOJFPS-MAUKXSAKSA-N 370.497 1.348 0 50 FDAA CN(C)C(=O)CSc1nc(N)cc(NCc2cn3c(n2)SCC3)n1 91494237 LVKMPUWSMOHHNT-UHFFFAOYSA-N 365.488 1.153 0 50 FDAA CNC(=O)c1cccc([C@@H](C(=O)O)N2CCN(C(=O)c3ccco3)CC2)c1 95371252 CVACYXPZWIJMDK-INIZCTEOSA-N 371.393 1.223 0 50 FDAA COc1ccc(Cc2nc([C@@H]3CNCCO3)n(C3CCN(C)CC3)n2)cc1 96149655 HEFKUYNOEHCJDO-SFHVURJKSA-N 371.485 1.805 0 50 FDAA Cn1c(=O)oc2c(C(=O)N3CCCN(c4nccs4)CC3)cccc21 179264015 QYYOUVCKUCSHOB-UHFFFAOYSA-N 358.423 1.941 0 50 FDAA Cn1c(CO)nnc1[C@@H]1CCCN(C(=O)CC2Cc3ccccc3C2)C1 244691862 JKIAJFTVSBQDMU-QGZVFWFLSA-N 354.454 1.819 0 50 FDAA COc1cccc(CC(=O)N2CCN(C(=O)c3cnc(C)nc3C)CC2)c1 179993407 QWRBRGIJRMVNDN-UHFFFAOYSA-N 368.437 1.629 0 50 FDAA CCc1nc(CNC(=O)[C@@H](C)Sc2nnnn2-c2cccc(C)c2)no1 252482692 DMCPMSYFMVBMJV-LLVKDONJSA-N 373.442 1.713 0 50 FDAA C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC(=O)N1 295964482 HZLSNMMCHPYMPG-SSDOTTSWSA-N 356.753 1.868 0 50 FDAA COc1cc(CCC2CCN(C(=O)[C@H]3C[C@H](O)CN3)CC2)cc(OC)c1 299748258 GPYAYLJJLDXERN-QFBILLFUSA-N 362.470 1.598 0 50 FDAA Cn1nnnc1-c1cccc(NCC(=O)N2CCc3sccc3C2)c1 298304332 NEXYGJWGMJKUMH-UHFFFAOYSA-N 354.439 1.935 0 50 FDAA CCn1ccc(C(=O)N2CC[C@]3(OC)CC[C@@H](NC(=O)C4(C)CC4)C[C@H]23)n1 534640173 OGIGZLVVUDIVMP-PTSWNOGYSA-N 374.485 1.972 0 50 FDAA Cc1n[nH]c(C)c1CNC(=O)c1nnn2c1CO[C@@H](c1ccccc1)C2 263615836 FKTDUABTPVUJRN-MRXNPFEDSA-N 352.398 1.820 0 50 FDAA Cc1[nH]nc(CCC(=O)NCc2cc3n(n2)CCN(C(=O)C(C)C)C3)c1C 299782849 YLSYUIIUZXHYSL-UHFFFAOYSA-N 372.473 1.470 0 50 FDAA Cc1cnc(C(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)cn1 55645315 NLMAYEAASHWCGY-UHFFFAOYSA-N 360.439 1.322 0 50 FDAA CN1Cc2ccccc2C[C@@H]1C(=O)NC1CCN(c2cnccn2)CC1 299758388 PHABTJCHZGEQAT-GOSISDBHSA-N 351.454 1.618 0 50 FDAA CCn1cnnc1CCNC(=O)C[C@H]1CN(Cc2ccccc2)CCO1 299763913 YYSYOZIGJPWNFS-KRWDZBQOSA-N 357.458 1.248 0 50 FDAA Cc1oc2c(c1C(=O)NC[C@@H]1CCCN(S(C)(=O)=O)C1)C(=O)CCC2 299797260 QGEGSXLGAIPMFZ-LBPRGKRZSA-N 368.455 1.508 0 50 FDAA C[C@H](c1nc(CC(N)=O)nn1-c1ccc2c(c1)OCO2)N1CCCCCC1 826842483 WGCPYPQGIUMFQX-CYBMUJFWSA-N 371.441 1.961 0 50 FDAA Cc1ncc(-c2ccc(C)c(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)c2)o1 670470419 CVTSSNDXFUSSBF-CYBMUJFWSA-N 370.452 1.424 0 50 FDAA O=C1CN(CC[C@@H]2CCS(=O)(=O)C2)CCN1CCc1ccccc1 670440194 YHNXHZINVNIIOF-QGZVFWFLSA-N 350.484 1.198 0 50 FDAA COc1ccc2nc(CNCc3cnc(N4CCOCC4)nc3)[nH]c2c1 952868290 IQEJEOLCGAXWKC-UHFFFAOYSA-N 354.414 1.488 0 50 FDAA CCCc1nnc(N2CC[C@H](NC(=O)c3cc(C)on3)[C@@H](O)C2)s1 1565507670 NFIGAJPWJPNJIG-JQWIXIFHSA-N 351.432 1.157 0 50 FDAA COC(=O)[C@@]1(c2ccccc2)N[C@@H](c2ccncc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 1565527236 HFFQFGSXKQPAIU-ULMVMLMRSA-N 365.389 1.025 0 50 FDAA O=C(N[C@H]1COCC[C@@H]1Oc1ccccn1)c1ccc2c(c1)OCCO2 1565506960 PEMLLGLMWXKZGZ-GJZGRUSLSA-N 356.378 1.819 0 50 FDAA CNS(=O)(=O)c1ccc(N2CCO[C@@H](c3cnn(C)c3)C2)c(F)c1 301931651 OPHJUEXWHZXRJJ-OAHLLOKOSA-N 354.407 1.045 0 50 FDAA CC(C)c1noc([C@@H](NC(=O)NCc2cnn(C)c2)C2CCOCC2)n1 275466594 SFIWIHSEBGKNAJ-AWEZNQCLSA-N 362.434 1.894 0 50 FDAA O=C(Cn1c(=O)oc2cc(F)c(Br)cc21)NC[C@H]1CCCO1 192499771 VRVLJRVBJUWHKA-MRVPVSSYSA-N 373.178 1.791 0 50 FDAA CC(=O)N1CCc2cc(C(=O)N3CCC(C)(C)S(=O)(=O)CC3)ccc21 192864126 WMFIJWIAZMDKHT-UHFFFAOYSA-N 364.467 1.635 0 50 FDAA CCCOc1ccccc1C(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704343806 ZDOZZGLHWXSFCQ-ZFWWWQNUSA-N 370.471 1.112 0 50 FDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1sccc1Cl 1704345065 VHIWWEUOXMTJHK-WCBMZHEXSA-N 352.865 1.038 0 50 FDAA O=C(O)[C@@H]1COCCN(C(=O)c2ccc3nc(C(F)(F)F)[nH]c3c2)C1 1775978033 OMWPSFZGUMMMAV-VIFPVBQESA-N 357.288 1.755 0 50 FDAA COCCc1noc(CN2CCCN(C(=O)c3cscn3)CC2)n1 1772701132 ITBWLONSXDTJJQ-UHFFFAOYSA-N 351.432 1.063 0 50 FDAA CN(C(=O)CN1CCCC1=O)[C@H]1CCCN(C2Cc3ccccc3C2)C1 12386397 WCAZBFRKBZPWDY-SFHVURJKSA-N 355.482 1.699 0 50 FDAA O=C(c1cccc2ccccc12)N1CCN2C(=O)[C@H]3CCCN3C(=O)[C@H]2C1 14538820 BGCAYFOXIOHFJU-QZTJIDSGSA-N 363.417 1.497 0 50 FDAA O=C(c1ccccc1-c1ncn[nH]1)N1CCCC[C@H]1CN1CCOCC1 19952723 ZOPWBXVZCOHQLE-HNNXBMFYSA-N 355.442 1.799 0 50 FDAA Cc1ccc2oc(N3CCC(C(=O)NCc4nonc4C)CC3)nc2n1 1857667346 OVJHYMGGPHTGGQ-UHFFFAOYSA-N 356.386 1.755 0 50 FDAA CC[C@@]12COC(=O)N1CCN(S(=O)(=O)c1cc(Cl)ccc1OC)C2 1857672544 FLOFWLRZOPOBOZ-OAHLLOKOSA-N 374.846 1.954 0 50 FDAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)CCCc3ccc(F)cc3)C[C@@H]12 1857722253 SZYYOQAHPVMWMI-BBWFWOEESA-N 368.474 1.334 0 50 FDAA O=C(Cn1ccccc1=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857727520 VIMDALGUOGJYBO-FGTMMUONSA-N 353.422 1.179 0 50 FDAA O=S(=O)(CCn1ccnc1-c1ccnc2ccccc12)N1CCOCC1 1857732110 BYHDANPGHDFNJK-UHFFFAOYSA-N 372.450 1.760 0 50 FDAA O=C(c1cncc(Cl)c1)N1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857735998 LCDIMMXXOFLFSK-YWTNHNAXSA-N 358.825 1.944 0 50 FDAA CN1CCN(S(=O)(=O)c2sccc2Cl)C[C@H]1c1nccn1C 331785413 INTOLEYVFYVFJA-NSHDSACASA-N 360.892 1.812 0 50 FDAA COc1ccc(-c2nc(CN3C[C@H]4COC[C@@H](C3)C(=O)N4)c(C)o2)cc1 1875250406 WNEVHMXSRYDMLB-CABCVRRESA-N 357.410 1.605 0 50 FDAA C[C@H]1C[C@@H](C)[C@H](C(=O)N2CCN(C(=O)[C@@H]3O[C@H](C)C[C@@H]3C)C[C@@H]2C)O1 407964367 JXJBBQAHYWWZGL-JFMFRDDFSA-N 352.475 1.673 0 50 FDAA Cc1ccn2ncc(C(=O)N[C@@H]3CCN(c4ccccc4F)C3=O)c2n1 112262094 WKCPERWHPGXYKP-CQSZACIVSA-N 353.357 1.712 0 50 FDAA Cc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(-c3coc(C)n3)cc1)CC2 117363183 ROXZKMCKLIUSIO-CQSZACIVSA-N 373.438 1.843 0 50 FDAA C[C@@H]1NC(=O)CC[C@@H]1NC(=O)C1(c2ccc(F)cc2F)CCOCC1 441513700 JHFCEXCWSASDJY-NHYWBVRUSA-N 352.381 1.796 0 50 FDAA C[C@@H]1CN(C(=O)Nc2ccnc(C(=O)N(C)C)c2)CC2(CCOCC2)O1 333331155 QYFSXNTURNWLME-CYBMUJFWSA-N 362.430 1.585 0 50 FDAA O=C(Nc1nccn1Cc1ccc(Br)cc1)[C@@H]1C[C@@H](O)CN1 238013595 VNELKEXATSSJBT-OLZOCXBDSA-N 365.231 1.355 0 50 FDAA CC(=O)c1cccc(NC(=O)CSc2nc(C)c(CCO)c(=O)[nH]2)c1 11905738 FXGKKMTYCZKGMN-UHFFFAOYSA-N 361.423 1.547 0 50 FDAA O=C(CN1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1)NC1CC1 239637135 BJBGYXQFYRJBMS-AWEZNQCLSA-N 357.332 1.337 0 50 FDAA Cn1cc(CN2CCCN(C(=O)c3cc(F)cc4[nH]cnc34)CC2)cn1 264587217 AGTLBNMASBCPJH-UHFFFAOYSA-N 356.405 1.784 0 50 FDAA O=C([C@H]1CCN(S(=O)(=O)[C@@H]2CCc3ccccc3C2)C1)N1CCCC1 915669074 GVCPKCVJVFHPQN-ZWKOTPCHSA-N 362.495 1.818 0 50 FDAA O=C(NCC[C@]1(O)C(=O)Nc2ccccc21)[C@H]1COc2ccccc2O1 829048013 YKLQFWVRJQFJAI-VQIMIIECSA-N 354.362 1.173 0 50 FDAA NC(=O)[C@@H]1CCO[C@@H]1CC1CCN(C(=O)C2Cc3ccccc3C2)CC1 952887099 XJZWEFPJQLUURK-RTBURBONSA-N 356.466 1.921 0 50 FDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3ncc(C)cc3C)C2)n1 1875399415 BQGKDZCLJIBWCZ-MRXNPFEDSA-N 368.485 1.833 0 50 FDAA CN(C[C@H]1CCCS1)C(=O)Nc1ccc2c(=O)n(C)c(=O)n(C)c2c1 1875321675 QYPBTHCAEUUBOS-GFCCVEGCSA-N 362.455 1.597 0 50 FDAA C=CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)CCCO1 1875386517 SFJRYWDBCNPACN-AEFFLSMTSA-N 358.438 1.527 0 50 FDAA C[C@H]1CCN(C(=O)c2ccc(N(C)C)cc2)[C@H]1CNC(=O)[C@@H]1CCOC1 1875349851 PPQPVURRTIIYLF-LESCRADOSA-N 359.470 1.756 0 50 FDAA O=C(O)COC1CCN(C(=O)c2cc(C(F)(F)F)nn2C2CC2)CC1 1875303514 BUWHMZSDDPUKDZ-UHFFFAOYSA-N 361.320 1.943 0 50 FDAA O=C(NC[C@H]1CC12CCS(=O)(=O)CC2)c1cc(N2CCCC2)ccn1 1875312721 RONDGRKDEXXPDF-CQSZACIVSA-N 363.483 1.627 0 50 FDAA O=C(O)c1oc(Br)cc1Cn1cc(CN2CCOCC2)nn1 1875324237 NPWGNQMNIYTLGP-UHFFFAOYSA-N 371.191 1.212 0 50 FDAA CCn1c(O)nnc1[C@H]1[C@H](C2CC2)CCN1c1cncc(-n2cccn2)n1 1875399390 AXTYZOTWSAWNFC-XJKSGUPXSA-N 366.429 1.957 0 50 FDAA CCN1C(=O)CC[C@H](CNC(=O)c2nccc(C)n2)[C@H]1c1cnn(C)c1 888102974 XONDBFJAPZQYTO-CJNGLKHVSA-N 356.430 1.248 0 50 FDAA O=C(O)[C@H]1CC[C@H](C(=O)NCc2cccc(-n3ccnc3)c2)N1C1CC1 888101844 PIVXZWJQTSDYLG-IAGOWNOFSA-N 354.410 1.569 0 50 FDAA O=C(Cn1nc(O)c2ccccc2c1=O)N(CC1CC1)CC(F)(F)F 2325742611 BTHMHGMUWLZBFY-UHFFFAOYSA-N 355.316 1.903 0 50 FDAA Cn1ccc(-c2n[nH]cc2C(=O)N2CCN[C@@H](Cc3ccccc3)C2)n1 2325784891 RWFPBCQJUKBCKP-HNNXBMFYSA-N 350.426 1.467 0 50 FDAA CC(=O)c1cnc2ccc(=NC3CCN(Cc4ccccn4)CC3)[nH]n12 2325802253 UPGNXVQPZJEDKI-UHFFFAOYSA-N 350.426 1.825 0 50 FDAA NCc1cccc(-c2cccc(C(=O)NCc3nnc4n3CCNC4)c2)c1 2325808328 RANGNQMWAKUBIN-UHFFFAOYSA-N 362.437 1.437 0 50 FDAA CCCn1ccc(CNC(=O)Cn2cc(-c3ccc(CO)nc3)nn2)c1 2325873668 PIOMZZISBUOWAH-UHFFFAOYSA-N 354.414 1.360 0 50 FDAA COc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(OC)cc1Cl 644654 WHXFHHBQBYVOLE-UHFFFAOYSA-N 362.835 1.243 0 50 FDAA CN1CCc2c(n(C[C@H](O)CNC[C@@H]3CCCO3)c3ccccc23)C1=O 803233 QFXPZVNWRKDXDF-CABCVRRESA-N 357.454 1.399 0 50 FDAA biogenic Cn1c(=O)c2c(nc(N3CCCCC3)n2Cc2cccc(F)c2)n(C)c1=O 1110046 GHMLHEAEWYUGST-UHFFFAOYSA-N 371.416 1.611 0 50 FDAA Cc1c(S(=O)(=O)N(C)Cc2c(Cl)cnn2C)cnn1C(F)F 20602041 KKPOGXJTWGXYIK-UHFFFAOYSA-N 353.782 1.794 0 50 FDAA Cc1ccc2[nH]c(=O)c(CN3CCC(n4cc(CN)nn4)CC3)cc2c1 23507025 QNZKNZRAHCYWHR-UHFFFAOYSA-N 352.442 1.724 0 50 FDAA CCn1ccnc1CN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1 55403730 JBCUFEPKUFRHMU-QGZVFWFLSA-N 369.469 1.252 0 50 FDAA Cc1n[nH]c(C)c1CC(=O)N1CCc2c(c(C(=O)O)nn2CC2CC2)C1 67880162 CNJAXRANXZWNOT-UHFFFAOYSA-N 357.414 1.459 0 50 FDAA C[C@@H]1C[C@H](NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)CN1C1CC1 246375493 IJJWTQFZILYAJL-HHXXYDBFSA-N 355.482 1.962 0 50 FDAA C[C@H]1CNC(=O)CCN1Cc1ccc(OCC(=O)N2CCCCC2)cc1 67743648 FCXHODNHFAHGHE-INIZCTEOSA-N 359.470 1.788 0 50 FDAA CN1CC(=O)N(CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C1=O 302109410 PRYKYEXAIYECAI-KRWDZBQOSA-N 351.406 1.981 0 50 FDAA Cn1nc(CC2CCN(C(=O)c3cnco3)CC2)n(-c2ccccc2)c1=O 67886454 XKGSFNPEQXUSTG-UHFFFAOYSA-N 367.409 1.654 0 50 FDAA COCC(=O)Nc1cccc(C(=O)N2CC[C@]3(CCCN(C)C3=O)C2)c1 67676451 XHHOLHBVOYZPRH-LJQANCHMSA-N 359.426 1.356 0 50 FDAA CN(Cc1noc2c1CCCC2)C(=O)c1cn(C[C@H]2CCCNC2)nn1 67654395 UAKGJABQSRADCQ-ZDUSSCGKSA-N 358.446 1.417 0 50 FDAA Cc1cc(C)n(-c2ccc(C(=O)NCCSc3nnnn3C)cc2)n1 65370577 DBKDCMVSDBCLNI-UHFFFAOYSA-N 357.443 1.535 0 50 FDAA COc1ccc(F)c([C@@H]2CC(=O)Nc3nc(N4CCOCC4)nc(N)c32)c1 65462035 HYNZDPHRJJKQHZ-LBPRGKRZSA-N 373.388 1.517 0 50 FDAA CN(CC(=O)NC1c2ccccc2-c2ccccc21)[C@H]1CCS(=O)(=O)C1 65394727 ABRBRPVQSWUIRN-AWEZNQCLSA-N 370.474 1.992 0 50 FDAA CC(C)(C)OC[C@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 20724983 SYDHOFBVRMSUAR-MRXNPFEDSA-N 350.459 1.709 0 50 FDAA CC(C)N1CCC(C(=O)NC[C@H](c2ccccn2)N2CCOCC2)CC1 65459610 SYPHMVZOICDINC-LJQANCHMSA-N 360.502 1.692 0 50 FDAA CCCN1C[C@@H](C(=O)NCc2cccnc2N2CCN(C)CC2)CCC1=O 67742075 IXKKTYUZKJEPMQ-KRWDZBQOSA-N 373.501 1.098 0 50 FDAA CC(C)c1ccc([C@@H](N)CNS(=O)(=O)C2CCS(=O)(=O)CC2)cc1 252481927 CVQTZLFFIZNFKC-INIZCTEOSA-N 374.528 1.306 0 50 FDAA CCn1c(S)nc2cc(C(=O)N[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3CO)ccc2c1=O 252515744 NCDWRTZTPUDYFI-FNNPODNZSA-N 373.478 1.842 0 50 FDAA O[C@H]1[C@H](O)[C@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@H]1OCc1ccccc1 35636470 LEJLVYJUXVHIJN-UHBLESBASA-N 358.390 1.764 0 50 FDAA CC(C)[C@@H]1CN(CCOCCO)CCC(=O)N1Cc1ccc(F)cc1 72133589 ZPNDQSHHJMZEND-SFHVURJKSA-N 352.450 1.894 0 50 FDAA C[C@H](C(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(C)c1)c1cccc(F)c1 328644866 ZMDHUAPUXGIOGY-LRDDRELGSA-N 365.430 1.661 0 50 FDAA Cc1cn2nc(NC[C@@H]3CC(=O)N(C)[C@H]3c3cnn(C)c3C)sc2n1 328613844 UIQWYURCZGDHTP-SMDDNHRTSA-N 359.459 1.773 0 50 FDAA CC(=O)N1CCC2(CC1)C[C@@H](C(=O)O)N(Cc1noc(CC(C)C)n1)C2 72430722 DDOSFTALPFMKKN-AWEZNQCLSA-N 364.446 1.556 0 50 FDAA COCCc1noc([C@@H]2CCCN(c3ncnc4c3c(C)nn4C)C2)n1 72476873 WKRHGLAYGFAHDR-GFCCVEGCSA-N 357.418 1.628 0 50 FDAA CNC(=O)CN1CCC(NC(=O)N2CC[C@@H](c3ccccc3OC)C2)CC1 122963844 OFMBPCBEQSSOLI-OAHLLOKOSA-N 374.485 1.405 0 50 FDAA CC[C@H](O)c1cc2n(n1)CCN(C(=O)c1ccc(N3CCOCC3)cc1)C2 219751728 HKUWUAXVWISBFY-IBGZPJMESA-N 370.453 1.819 0 50 FDAA Cn1cc([C@H]2CCCN(C(=O)[C@H](Cc3ccccc3)NC(N)=O)C2)cn1 363731318 BHCSDOFKWYAVCQ-RDJZCZTQSA-N 355.442 1.406 0 50 FDAA O=C(Cc1nc2ncccn2n1)N1CCC[C@](CO)(c2ccccc2)C1 367314802 KBBRCXNQZCFABO-IBGZPJMESA-N 351.410 1.220 0 50 FDAA COc1cc(N2CCN(C(=O)[C@@H](C)N(C)CC(F)(F)F)CC2)ncn1 330756649 HHPMNENLPHHKRO-LLVKDONJSA-N 361.368 1.016 0 50 FDAA Cc1ccc([C@H](CNC(=O)c2cnn3c2CCCC3)N2CCOCC2)o1 72167369 NJJOPVWKKUTHLD-KRWDZBQOSA-N 358.442 1.924 0 50 FDAA COc1ccc(CCC(=O)N2CCc3c(nc(N(C)C)[nH]c3=O)C2)cc1 72172521 AJYREWKSNIYUOR-UHFFFAOYSA-N 356.426 1.362 0 50 FDAA CC(C)Oc1ccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)nn1 332345785 SZXGDGZBSWBONX-UPJWGTAASA-N 360.414 1.766 0 50 FDAA CS(=O)(=O)c1ccc(OCCCC(=O)N2CCCC[C@H]2C(=O)O)cc1 262615400 BMTBYBHHOQPMAT-HNNXBMFYSA-N 369.439 1.715 0 50 FDAA CN1CCN(C(=O)c2ccc(-n3cnnn3)cc2O)C[C@@H]1c1ccccc1 214980550 ZOJQFXZJDIHNJB-QGZVFWFLSA-N 364.409 1.497 0 50 FDAA Cc1n[nH]c(C)c1[C@H](C)NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 219923164 GDDUBEVNYLBBHU-JTQLQIEISA-N 368.434 1.809 0 50 FDAA O=C(c1ccon1)N1CCC(C(=O)O)(n2ccc(-c3ccco3)n2)CC1 72477139 XWBZSZJDMCJXHC-UHFFFAOYSA-N 356.338 1.847 0 50 FDAA CC[C@H]1CN(c2nc(-c3ccc(C(N)=O)cc3)nc3c2CCNC3)CCN1 71750471 MLFLFSRBEWXSTN-HNNXBMFYSA-N 366.469 1.076 0 50 FDAA CCN(C)[C@@H](C)C(=O)NCc1cc2c(nc1OC)CN(C1CCCC1)C2=O 71774483 KKGYJFFEYBKONC-ZDUSSCGKSA-N 374.485 1.945 0 50 FDAA CC(C)Cc1cc(C(=O)N2CCC(O)(CN3CCCC3)CC2)nc(N)n1 223605644 MOYAMPQCLMZECU-UHFFFAOYSA-N 361.490 1.320 0 50 FDAA C[C@H](Cn1cccn1)NC(=O)C1CCN(C(=O)Cc2ccccc2)CC1 223518441 INUOPXRMCKUXRT-MRXNPFEDSA-N 354.454 1.869 0 50 FDAA Cc1nc(CC(=O)N[C@H]2C[C@@H](c3cc(N4CC[C@@H](O)C4)ncn3)C2)cs1 222398095 ZPOAKYJFKPOPBU-UMVBOHGHSA-N 373.482 1.417 0 50 FDAA COc1ccc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)cc1 82109525 QWFGTUUNFXLCOC-FQEVSTJZSA-N 360.454 1.922 0 50 FDAA Cc1nc2ccc(Cl)cn2c1C(=O)N1CCC(c2nc(N)n[nH]2)CC1 426551986 NEVUFXPUXZDIQX-UHFFFAOYSA-N 359.821 2.016 0 50 FDAA OC[C@@H](O)c1cc2n(n1)CCCN(Cc1cnc(N3CCCCC3)nc1)C2 221413078 GRIDCKIYDACDGV-GOSISDBHSA-N 372.473 1.095 0 50 FDAA c1ccc(CN2CCN(CCNc3cc([C@@H]4CCOC4)ncn3)CC2)cc1 426538041 DCZMMNFAIUOOGO-LJQANCHMSA-N 367.497 2.210 0 50 FDAA CN(c1ccc(OCC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1)S(C)(=O)=O 225251444 JOUBMHRETJFDSD-HEHGZKQESA-N 352.456 1.766 0 50 FDAA O=C(NCc1nc(-c2ncccn2)no1)[C@H]1CCCN(Cc2ccco2)C1 95500789 VCIFNDPZMYCJBN-ZDUSSCGKSA-N 368.397 1.648 0 50 FDAA O=C(c1coc(CN2CCOCC2)c1)N1CCC[C@@H](Cn2ccnc2)C1 91550452 IEIAKZUSJWXNNP-INIZCTEOSA-N 358.442 1.861 0 50 FDAA Cc1cc(-n2cccn2)ccc1-c1cn(CCc2nc(N)cc(=O)[nH]2)nn1 92097562 GRCIZHIXYZFTKK-UHFFFAOYSA-N 362.397 1.347 0 50 FDAA O=C(c1cnc(-c2ccccn2)nc1O)N1CCN(c2ccccn2)CC1 92003449 NJVIGGLTFGDUSI-UHFFFAOYSA-N 362.393 1.602 0 50 FDAA Cc1nc2c(c(=O)n1C)CN(C(=O)Cn1sc3ccccc3c1=O)C2 95498587 GNJYLHCJONBMKL-UHFFFAOYSA-N 356.407 1.008 0 50 FDAA Cc1nnsc1CN(C)C(=O)CN1C[C@@H](Cc2ccccc2)CC1=O 95496553 FETMZCCYQCHNPB-HNNXBMFYSA-N 358.467 1.896 0 50 FDAA O=C(Cc1ccccc1F)N1C[C@@H]2CN(c3ncccn3)C[C@]2(C(=O)O)C1 96149504 MTKVJCPBLWXMMT-AUUYWEPGSA-N 370.384 1.208 0 50 FDAA Cc1nc2c(c(=O)n1C)CN(C(=O)[C@H](c1cccnc1)N1CCCC1)C2 95499315 ZBFLRNWUELWELC-KRWDZBQOSA-N 353.426 1.163 0 50 FDAA Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CC[C@]2(CCCN(C(C)C)C2=O)C1 91907239 BGXZIEASDDRUPW-HXUWFJFHSA-N 374.485 1.569 0 50 FDAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1OC(F)F)C2 91974221 VGAGNTRWXXQBDP-QWHCGFSZSA-N 368.380 1.997 0 50 FDAA NCCOc1cccc(CC(=O)N2CCCN(C(=O)C3CCC3)CC2)c1 426494339 PGOPZEZQDUCQNZ-UHFFFAOYSA-N 359.470 1.428 0 50 FDAA O=C(c1ccc[nH]1)N1CCN(C(=O)[C@@H](c2cccnc2)N2CCCC2)CC1 95527921 XVAYJHJALLLSHY-GOSISDBHSA-N 367.453 1.531 0 50 FDAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)Nc1cc(NS(C)(=O)=O)ccc1F 426674287 RLGSOPYXYWGHLW-KBPBESRZSA-N 374.438 1.038 0 50 FDAA O=Cc1ccc(OC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 239433075 XENKFEDUQGMBJG-OZINRZGZSA-N 351.358 1.458 0 50 FDAA CN1CCC(Cc2nc([C@@H]3C[C@H](N)CN3C)n(CC(F)(F)F)n2)CC1 96137760 JBBMEYXPPJIOAI-STQMWFEESA-N 360.428 1.429 0 50 FDAA COCCN1C[C@]2(CCCN(C(=O)CN3CCCCCC3)C2)CCC1=O 91426600 OZKJZGCKRFDERM-HXUWFJFHSA-N 365.518 1.740 0 50 FDAA CN1CC[C@@]2(CCC1=O)CN(C(=O)c1cncc(Cl)c1)CCN2C 95372617 PARCUUKXEMHXSL-KRWDZBQOSA-N 350.850 1.504 0 50 FDAA COc1ccc([C@H](NC(=O)c2ccn3cnnc3c2)[C@H]2C[C@H](O)C2)cn1 244873068 WJLWWSAZSWHQDI-ZQIUZPCESA-N 353.382 1.375 0 50 FDAA Cc1ccccc1CNC(=O)N[C@H]1C[C@H](c2nnc(CN(C)C)n2C)C1 244778671 PUNHGZDFETYAML-WKILWMFISA-N 356.474 1.931 0 50 FDAA CN(C)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)CC1 244853031 VEBZDGXLZFNDGN-FHWLQOOXSA-N 373.497 1.878 0 50 FDAA O=C(Cc1c[nH]c2ccccc12)N[C@@H]1CCN(c2cnccn2)C[C@H]1O 244794529 QOLVOMPJRYSYBL-IAGOWNOFSA-N 351.410 1.256 0 50 FDAA C[C@@H](CCNC(=O)c1cccc(-c2nccc(N)n2)c1)N1CCN(C)CC1 534592207 AFFUYMUANSXTAZ-HNNXBMFYSA-N 368.485 1.482 0 50 FDAA Cc1c(-c2ccc(C(=O)N3CCC[C@](O)(CN(C)C)C3)cc2)cnn1C 534635310 WGVILKDTMKVIRF-FQEVSTJZSA-N 356.470 1.924 0 50 FDAA Cc1cccn2c(=O)cc(CN3CCCN(C(=O)[C@@H]4CCCO4)CC3)nc12 377520342 SRMICYUVQAEQER-KRWDZBQOSA-N 370.453 1.216 0 50 FDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1)NCc1cccnc1 67909785 CPSATGWDGFDFST-QGZVFWFLSA-N 374.391 1.367 0 50 FDAA O=C(CCN1CCN(C2CCCC2)C(=O)C1)Nc1ccsc1C(=O)O 299761469 RSSVJDXGKZKCHU-UHFFFAOYSA-N 365.455 1.862 0 50 FDAA C[C@H](CN1CCc2ccccc2C1)NC(=O)CCC(=O)Nc1nncs1 821777845 ZYWAEBUBKCHLCE-CYBMUJFWSA-N 373.482 1.820 0 50 FDAA O=C(NCc1noc(-c2cccs2)n1)c1cccc(-n2cnnc2)n1 828175101 GHJKSFFNISMHEI-UHFFFAOYSA-N 353.367 1.704 0 50 FDAA CN(CC[C@H]1CCCCO1)S(=O)(=O)c1ccc2oc(=O)n(C)c2c1 952972477 FPIABKFSBFUCAY-GFCCVEGCSA-N 354.428 1.711 0 50 FDAA Cc1cccnc1CN1CCN(C(=O)c2nnc(O)c3ccccc23)CC1 952868272 IEDQCWOKHVUQAS-UHFFFAOYSA-N 363.421 1.997 0 50 FDAA Cc1n[nH]c(C)c1CCC(=O)N[C@H]1COCC[C@@H]1OCc1ccccn1 1565514441 AFNUWDXMPSZWIX-ROUUACIJSA-N 358.442 1.845 0 50 FDAA COCC1(C(=O)N[C@H]2CCN(Cc3c(C)noc3C)C[C@@H]2O)CCC1 1565510138 YVLKQFMCZWQYSU-HOTGVXAUSA-N 351.447 1.160 0 50 FDAA O=C(O)C1(CNS(=O)(=O)c2cc(F)cc(Cl)c2)CCOCC1 275014269 QLPIJUHQSLXHKW-UHFFFAOYSA-N 351.783 1.639 0 50 FDAA Cc1noc([C@@]2(O)CCN(S(=O)(=O)c3ccc(F)c(F)c3F)C2)n1 275372490 XNUZMJJLTKBPSJ-CYBMUJFWSA-N 363.317 1.078 0 50 FDAA COC(=O)c1cccc(S(=O)(=O)Nc2ccnc(N(C)C)n2)c1C 170609100 ZBUXDALJVLRDFY-UHFFFAOYSA-N 350.400 1.438 0 50 FDAA Cc1nc2ccccc2n1CCC(=O)N[C@H](C)c1n[nH]c(CC(=O)O)n1 1506417279 PEWYIKVYJHEJDX-SNVBAGLBSA-N 356.386 1.357 0 50 FDAA O=C([C@H]1CCCCn2nnnc21)N1CCCN(c2ccc(F)cc2)CC1 1506407849 ZACSFICJDWMJOI-INIZCTEOSA-N 358.421 1.819 0 50 FDAA CCn1nc(C)cc1C(=O)Nc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C 1506419602 GKYKCBGOIZUINA-ZDUSSCGKSA-N 365.459 1.637 0 50 FDAA Cc1nc(CCN(C)C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2C)no1 1529154311 KJTYIOSARHAIHD-MSOLQXFVSA-N 372.425 1.286 0 50 FDAA O[C@@H]1CN(Cc2cnc(N3CCCCC3)nc2)C[C@H]1Cc1ccccn1 1529100038 NDDXGXJHDZNQSX-IEBWSBKVSA-N 353.470 1.897 0 50 FDAA Cn1ccnc1CN1C[C@H]2COC[C@@H]1CN(C(=O)Cc1cccs1)C2 1704311443 KALGUMUSPDLDPR-CABCVRRESA-N 360.483 1.384 0 50 FDAA OC1CCN(c2cc(N[C@H]3COC[C@H]3Cc3ccncc3)ncn2)CC1 1704343655 MHZYXGPINDCPTJ-WBVHZDCISA-N 355.442 1.502 0 50 FDAA CC(=O)NCC[C@@H]1CCCCN1C(=O)c1cn(Cc2ccccc2F)nn1 11661047 CMCCJXQLSXGIBC-INIZCTEOSA-N 373.432 1.986 0 50 FDAA CC[C@H]1CN(CCNC(=O)c2cc[n+]([O-])cc2)Cc2cc(OC)ccc2O1 11841615 ZORAYZSIWDGGQD-KRWDZBQOSA-N 371.437 1.732 0 50 FDAA O=S(=O)(c1cccnc1C(F)(F)F)N1C[C@@H]2CCOC[C@]2(CO)C1 1857669446 ATAXZFQZMQAUJH-GXFFZTMASA-N 366.361 1.120 0 50 FDAA COc1ccc(-c2nccn2[C@@H]2CO[C@@H]3[C@H](O)CO[C@@H]32)c(OC)c1OC 1857709789 RJYSHXVAODJNMU-CZPYZCIJSA-N 362.382 1.276 0 50 FDAA CCC[C@@]1(CO)CN(CC(=O)NCCc2ccc(F)cc2)CC[C@H]1O 1857715410 QKHRSCGMOUXWPB-MJGOQNOKSA-N 352.450 1.330 0 50 FDAA O=C(CCn1cnnc1)N1CCO[C@@H](CO)[C@@H]1c1ccccc1Cl 1875251416 HXEZPKFWEQBPKS-HOCLYGCPSA-N 350.806 1.283 0 50 FDAA NC(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 2517138 VHRMWRHTRSQVJJ-INIZCTEOSA-N 354.362 1.854 0 50 FDAA in-vitro COc1cc(CC(=O)N2CCC[C@H](NC(=O)C(C)C)C2)cc(OC)c1O 225720598 UZGBWCCWZCAGJX-AWEZNQCLSA-N 364.442 1.715 0 50 FDAA COc1cc(Cl)ccc1C(=O)NC1CCN([C@@H]2CCN(C)C2=O)CC1 332307087 NBLUIQKUJAMDJK-OAHLLOKOSA-N 365.861 1.774 0 50 FDAA CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1ccc3ncsc3c1)C2 247507891 HMRRCNAFKKXAAE-YPMHNXCESA-N 365.480 1.792 0 50 FDAA Cc1ccc(N2CCCN(C(=O)[C@](C)(O)Cc3ccccc3)CC2)nn1 266874830 YZFUSXHOWMMAQS-HXUWFJFHSA-N 354.454 1.817 0 50 FDAA 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0 50 FDAA CC[C@]12COC(=O)N1CCN(c1nc3cc(OC)c(OC)cc3c(=N)[nH]1)C2 1857697112 VUUXZCMQCLDYIS-SFHVURJKSA-N 373.413 1.481 0 50 FDAA Cc1cc(S(=O)(=O)N[C@@H]2C[C@H]3CO[C@H](C4CC4)CN3C2)c(C)s1 1857725443 XCLRISFORVAUTO-ILXRZTDVSA-N 356.513 1.895 0 50 FDAA Cc1cccc(OC2CN(C(=O)[C@@H]3CC(=O)N(c4nnc(C)s4)C3)C2)c1 1857740279 LTMVVWUUDVAQTA-CYBMUJFWSA-N 372.450 1.798 0 50 FDAA Cc1csc(CN2C[C@@H]3[C@H](CNC(=O)CN(C)C)[C@H]4CC[C@]3(C2)O4)n1 1857740871 QOBWXHKHEMRHEH-LUXYFRNMSA-N 364.515 1.109 0 50 FDAA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C(=O)CN1CCOCC1 328650567 VNZZEIVUJRQPLE-GJZGRUSLSA-N 355.479 1.451 0 50 FDAA CC(=O)NC[C@@H]1CN(c2ccc(N3CCSCC3)c(F)c2)C(=O)O1 600395 FNDDDNOJWPQCBZ-CYBMUJFWSA-N 353.419 1.840 0 50 FDAA biogenic COCCCN1C(=O)CC[C@@H]2CN(C(=O)CCc3ccncc3)CC[C@@H]21 216824442 IQHZNEJEGGRMKO-MSOLQXFVSA-N 359.470 1.890 0 50 FDAA C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)c2ccnc3c2ncn3C)C1 333960421 LCLXUJXWUWGWFB-LLVKDONJSA-N 355.364 1.925 0 50 FDAA C[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(Cl)c2)C[C@@H](C)O1 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C=CC(=O)N1CCC(C(=O)N[C@H](C)c2cccc(N3CCNC3=O)c2)CC1 1875367558 NXURPYSTLJPMBB-CQSZACIVSA-N 370.453 1.818 0 50 FDAA N=c1[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)[C@@]34CCC[C@H]3C4(F)F)C2)cs1 1875407120 SYPOKRHKHRVLKL-BPTATDOASA-N 356.398 1.368 0 50 FDAA Cc1noc(C[C@]2(O)CCCN(Cc3ccc(N4CCCC4)nc3)C2)n1 886096895 NLOFGOSZZFNVAE-LJQANCHMSA-N 357.458 1.943 0 50 FDAA Cn1cnnc1C[C@@]1(O)CCCN(Cc2ccnn2-c2ccccc2)C1 886088742 MHOQEDFJUHSFEI-IBGZPJMESA-N 352.442 1.570 0 50 FDAA O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1ccn(CCc2ccccc2)n1 886995245 IIOVOEHJAYPPRN-QZTJIDSGSA-N 355.438 1.786 0 50 FDAA CCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)Nc1cccc(OC)c1 2195923 KGSHVFZWRPZTLQ-CYBMUJFWSA-N 351.428 1.146 0 50 FDAA C[C@H]1CCNC(=O)[C@@H]1CN1C(=O)CCN(C[C@@H]2C[C@H]2c2ccco2)C1=O 2325783624 NHHUWNWTCVOLIR-BYNSBNAKSA-N 359.426 1.810 0 50 FDAA CC1(C(=O)NC[C@]2(c3ccccc3)CCC(=O)N2)CC(c2nn[nH]n2)C1 2325826224 USHUXXDRBXPAJX-WQHGFJKVSA-N 354.414 1.005 0 50 FDAA O=C(O)c1ccccc1C(=O)NC[C@H](O)COc1ccccc1[N+](=O)[O-] 1147461 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1.129 0 50 FDAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(c1cnc3ccccc3n1)C2 213274294 ANOGMFCZHINNAS-KGLIPLIRSA-N 353.426 1.145 0 50 FDAA CCc1cnc(CNC(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)s1 225682943 GIMFHLQSNAHYPU-RYUDHWBXSA-N 360.505 1.365 0 50 FDAA COc1ccc(S(=O)(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)cc1F 328636554 VOAVVIIAPDTTCC-CYBMUJFWSA-N 354.407 1.235 0 50 FDAA CCCn1c(=O)n(CCC(=O)N2CCC[C@@H](C(=O)O)C2)c2ccccc21 237013396 ZONTWEHSKXADRX-CQSZACIVSA-N 359.426 1.926 0 50 FDAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)c1cncc(Br)c1 238095027 XBVRKNSDJLTIFT-LBPRGKRZSA-N 357.204 1.940 0 50 FDAA COCCS(=O)(=O)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 157245129 QDNRGLSVAQTLSG-QWHCGFSZSA-N 353.362 1.789 0 50 FDAA CC(=O)N[C@@H](CC(=O)N1CCO[C@H](C(=O)O)C1)c1ccc(Cl)cc1 262380226 IIDRMALYKFHDOI-KBPBESRZSA-N 354.790 1.219 0 50 FDAA CCOc1cc(CS(=O)(=O)CCOC)nc2nc(C(F)(F)F)nn12 864097696 IPSCFIGFKHZVEZ-UHFFFAOYSA-N 368.337 1.103 0 50 FDAA O=C(O)[C@@H]1[C@H]2CCN(S(=O)(=O)c3c(Cl)nc4sccn34)C[C@@H]21 871777070 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CCn1c(=O)c2c(nc3n(-c4ccccc4N)c(C)c(C)n23)n(C)c1=O 10233671 PJWQXQUBRMCBDU-UHFFFAOYSA-N 352.398 1.358 0 50 FDAA CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C(=O)OC)cc2)C1 10302407 ZKJNLKBBTVSEPN-CYBMUJFWSA-N 354.428 1.473 0 50 FDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccccn1)NCCC1=CCCCC1 55270476 VARYIPFTQHEBAO-SFHVURJKSA-N 356.470 1.779 0 50 FDAA Nc1nnc(CCNC(=O)[C@H]2CCCN2C(=O)C2CCCCC2)s1 55575424 GPEXJMBUFWORAU-GFCCVEGCSA-N 351.476 1.350 0 50 FDAA C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1nccn1S(=O)(=O)N(C)C 225639608 FILXEZVFFWVFBY-BBRMVZONSA-N 364.471 1.362 0 50 FDAA CCN1CCO[C@H](C(=O)N[C@H](CC(C)C)C(=O)Nc2nccs2)C1 246466379 OHNQFJQOZITYTL-OLZOCXBDSA-N 354.476 1.333 0 50 FDAA CCN1CCN(CC(=O)N2CCC(CO)(Cc3ccccc3)CC2)CC1 23358219 FBKKHGRPQWJDSU-UHFFFAOYSA-N 359.514 1.468 0 50 FDAA CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)[C@H]1Cc2ccccc2CN1C 67883619 WZMQKWMUYULQQD-OAHLLOKOSA-N 368.462 2.000 0 50 FDAA Cc1nn(C)cc1-c1ccnc(N2CCCN(C(=O)[C@@H]3CCCO3)CC2)n1 20541801 HMMMPZWVEBCNJR-KRWDZBQOSA-N 370.457 1.403 0 50 FDAA 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357.454 1.541 0 50 FDAA Cc1noc(C)c1S(=O)(=O)N1CC[C@H](Cc2cccc(C(N)=O)c2)C1 91665823 AIGVCIPQOIYUGA-CQSZACIVSA-N 363.439 1.644 0 50 FDAA Cc1nc(CC2CCN(Cc3cnc4c(C(=O)O)cnn4c3)CC2)no1 97425699 SBKXJSFWLSQLJC-UHFFFAOYSA-N 356.386 1.574 0 50 FDAA COCCn1cncc1CN1C[C@@H]2c3ccccc3OC[C@]2(C(=O)O)C1 95502977 DDYVBXZDOSBBCI-VQIMIIECSA-N 357.410 1.592 0 50 FDAA Cc1c[nH]c(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)n1 95525164 YGKJKVXMXJQCOQ-UHFFFAOYSA-N 368.441 1.367 0 50 FDAA O=C([C@H](c1cccnc1)N1CCOCC1)N1CCc2[nH]nc(C3CC3)c2C1 95379425 WOOOSPCOLBREGD-IBGZPJMESA-N 367.453 1.640 0 50 FDAA CC1=NO[C@H](C(=O)N2CCC3(CCC(=O)N(Cc4cccnc4)C3)CC2)C1 91943763 MGSZIGLNHRENBO-KRWDZBQOSA-N 370.453 1.978 0 50 FDAA CC(=O)NCC[C@H]1CCCCN1C(=O)c1coc(CN2CCOCC2)c1 91871929 DDFLTXAJTYYFBO-QGZVFWFLSA-N 363.458 1.633 0 50 FDAA Cc1c[nH]nc1C1CCN(C(=O)[C@H]2CNC[C@@H](C(=O)N3CCCC3)C2)CC1 91459348 MEVRVAHNNRWVNV-DLBZAZTESA-N 373.501 1.272 0 50 FDAA Cn1cccc1-c1cc(C(=O)N2CCNC(=O)[C@H]2c2cccc(F)c2)[nH]n1 91444517 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N=S1(=O)CCC2(CC1)CN(C(=O)[C@@H]1Cc3ccccc3O1)CCO2 1857528035 YAOVFEJVFHWZLA-LCVZGFTISA-N 350.440 1.428 0 50 FDAA c1ccc(-c2nnc3n2C[C@@]2(CCN(Cc4nccs4)C2)OC3)nc1 1857693456 XMUKPAXVUHLQLR-KRWDZBQOSA-N 354.439 1.972 0 50 FDAA CCC(CC)C(=O)N1CCC2(CC1)CN(S(=O)(=O)CC)C[C@H]2C(=O)O 1857705494 JSZSUWLNEWEXOE-AWEZNQCLSA-N 374.503 1.398 0 50 FDAA C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1 808434 HGDPKZAEZLBMIT-CYBMUJFWSA-N 353.426 1.850 0 50 FDAA Cc1cc(C)n(CC(=O)N2CCC[C@H](N(C)Cc3noc(C)n3)CC2)n1 328627430 GCZVJWRBXVUOFD-INIZCTEOSA-N 360.462 1.704 0 50 FDAA CC[C@H]1CN(S(=O)(=O)CCC2CCOCC2)C[C@H]1N1CCOCC1 330307520 SFTNFCQNMCZQAV-DLBZAZTESA-N 360.520 1.176 0 50 FDAA COCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CN)cc1 237081258 LVLAWRWHWZHFCQ-CZUORRHYSA-N 354.472 1.306 0 50 FDAA O=C(CCc1ccc2c(c1)OC(F)(F)O2)N1CC[C@@H](N2CCOC2=O)C1 855499168 VOCILMSTYFWFJY-GFCCVEGCSA-N 368.336 1.994 0 50 FDAA Cc1cc(=NC(=O)[C@@H](C)OC(=O)C[C@H]2CCC3(CCOCC3)CO2)[nH]o1 1875270193 LTXBGVYERXWEBR-ZIAGYGMSSA-N 366.414 1.641 0 50 FDAA C=CC(=O)N1C[C@@H](NC(=O)c2ccc(Cn3ccnn3)o2)CC(C)(C)C1 1875388084 MFNUARHRFYAJPA-ZDUSSCGKSA-N 357.414 1.462 0 50 FDAA CN=[S@]1(=O)CCC[C@]2(CCCN2C(=O)c2ccc(-n3cnnn3)cc2)C1 1875396202 YNSCRKDERXZBEV-QUGAMOGWSA-N 374.470 1.529 0 50 FDAA CC(C)(C(=O)N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)n1ccc(C2CC2)n1 1875401402 XHZQHSZFZBXYRS-IAOVAPTHSA-N 357.458 1.648 0 50 FDAA Cc1ccc(CCNC(=O)N2CC[C@@H](C3CC3)[C@H]2c2nnc(O)n2C)nc1 1875400483 BERSCFUUVJKTHU-HOTGVXAUSA-N 370.457 1.949 0 50 FDAA Cc1ccc2c(C(=O)N[C@@]3(C)CCN([C@@H]4CCNC4=O)C3)cnn2c1C 1875407592 DLMJOXBJAPWNRI-APWZRJJASA-N 355.442 1.034 0 50 FDAA O=C(CCc1cnn[nH]1)N[C@@H]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](F)C1 1875407432 ZUMPLYWHYVPNTE-KYEXWDHISA-N 351.426 1.277 0 50 FDAA C[C@H]1CN(c2ncnn3cccc23)C[C@H]1NC(=O)[C@@]12CCCN(CC1)C2 1875407771 HOPMXMLGERTXEY-KHYOSLBOSA-N 354.458 1.156 0 50 FDAA Cc1c([C@H]2CN(C(=O)CCc3ccc(F)cc3)C[C@@H]2C(N)=O)cnn1C 886085729 MIIKCPQAOOGOIG-SJORKVTESA-N 358.417 1.528 0 50 FDAA 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Cc1nnnn1-c1cccc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1 41985015 MREKUYIIBGFBPA-ZDUSSCGKSA-N 354.414 1.700 0 50 FDAA Cc1cc(C(=O)N2CCn3nc([C@@H](O)c4ccnn4C)cc3C2)c(C)o1 222842767 GCHMWEUDCHXKSV-QGZVFWFLSA-N 355.398 1.564 0 50 FDAA O=C(N[C@@H](c1ccncc1)c1ccc(F)cc1)N1CCN(CCO)CC1 426382602 DMKDIVAUXLWGHH-GOSISDBHSA-N 358.417 1.630 0 50 FDAA O=C(Cn1cnc2ccccc2c1=O)N1CCC(CCn2cccn2)CC1 82137273 HRSHRSDSTVUKQI-UHFFFAOYSA-N 365.437 1.922 0 50 FDAA CS(=O)(=O)CCSc1nnc(C2CCNCC2)n1C[C@@H]1CCCO1 426518312 LGROXZFZNBJOQM-ZDUSSCGKSA-N 374.532 1.061 0 50 FDAA COc1ccccc1CCNC(=O)N1CCC(O)(CN2CCCC2)CC1 426387361 XZUOJOUIOOTAIE-UHFFFAOYSA-N 361.486 1.870 0 50 FDAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2nccs2)o1 19789433 QQKJOYNPESRJLN-AWEZNQCLSA-N 362.455 1.394 0 50 FDAA O=C1Nc2ccccc2NC12CCN(c1cc(NCCO)ncn1)CC2 82138947 IQEYPVRQPPQLLR-UHFFFAOYSA-N 354.414 1.284 0 50 FDAA Cc1nc2c([nH]1)CN(C(=O)NCCc1nc(-c3cccnc3)no1)CC2 426465175 JMSGBAINGCMASF-UHFFFAOYSA-N 353.386 1.474 0 50 FDAA CCN(C(=O)c1ccc(-c2ccc(C(=O)O)cn2)cc1)[C@H]1COC[C@@H]1O 426530535 RVUOJPMUJLCKAC-IRXDYDNUSA-N 356.378 1.669 0 50 FDAA CO[C@@H]1CCCOC12CCN(C(=O)c1nc3ccccc3n(C)c1=O)CC2 95363088 WCDPVLYVKFLPRD-MRXNPFEDSA-N 371.437 1.734 0 50 FDAA CCCc1ccc(CN2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)O)C2)o1 96140907 NDWFCOVEJWTHRJ-MLGOLLRUSA-N 356.444 1.010 0 50 FDAA C[C@@H](C(=O)NCc1n[nH]c(-c2ccncc2)n1)N1CCc2ccccc2C1 95372256 AHGQKDOWPICDMQ-AWEZNQCLSA-N 362.437 1.930 0 50 FDAA COc1ccc(N/C(O)=C2/C(C)=N[N+]([C@@H]3CCS(=O)(=O)C3)=C2C)cc1 334159150 HFGKKPCSFMIVTF-CQSZACIVSA-O 364.447 1.927 0 50 FDAA CN(C)CCN1CC2(CCC1=O)CCN(Cc1cccc(CCN)c1)CC2 91818089 WJZKWWKKVOZNNM-UHFFFAOYSA-N 372.557 1.954 0 50 FDAA Cc1ncncc1C(=O)N1CCC(c2nnc(Cn3cccn3)n2C)CC1 92077910 BIEGUZBPRNWSTK-UHFFFAOYSA-N 366.429 1.178 0 50 FDAA CCCNC(=O)c1nn(CC)cc1NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 239275095 BEFORCFFPINKCM-CDGCEXEKSA-N 362.430 1.728 0 50 FDAA O=C1C[C@H](C(=O)N2CC(Oc3ccccc3F)C2)CN1Cc1ccccn1 95508752 QULAIQCNQSEZOR-AWEZNQCLSA-N 369.396 1.859 0 50 FDAA O=C(Cn1nc2ccccc2n1)N1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2 91951387 QHZWGYKBTSUQEJ-LSDHHAIUSA-N 363.425 1.349 0 50 FDAA CCS(=O)(=O)C1CCN(C(=O)[C@@H](C)c2ccc3c(c2)OCO3)CC1 292665165 BFHWWDRQIQOWKZ-LBPRGKRZSA-N 353.440 1.945 0 50 FDAA C[C@H]1Cc2ccccc2N1C(=O)CN1CCC(c2nnc(CO)n2C)CC1 244882700 XWUJDWGWTPWYSM-AWEZNQCLSA-N 369.469 1.465 0 50 FDAA CN(Cc1ccccc1)S(=O)(=O)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 244633705 GIEBBWGVRAYHLJ-JFIYKMOQSA-N 361.467 1.860 0 50 FDAA COC(=O)[C@H]1CC12CCN(S(=O)(=O)c1cc(OC)ccc1OC)CC2 585390198 KXTLQTGQADKWRE-CYBMUJFWSA-N 369.439 1.668 0 50 FDAA CC[C@@H](NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O)c1nc(C)no1 252488367 IQNXZVAKUAMJKA-CQSZACIVSA-N 366.443 1.720 0 50 FDAA CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1 252550903 TUJWXOOIUIMXPK-CWSCBRNRSA-N 351.428 1.007 0 50 FDAA CN1CCN(C)[C@H](CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)C1 252494498 NXLSPKWWJCFGGZ-GOSISDBHSA-N 358.486 1.175 0 50 FDAA O=C1CCc2cc(OCCCC(=O)N3CCO[C@@H](C(=O)O)C3)ccc2N1 299748199 GKTWCYMTVUETPM-OAHLLOKOSA-N 362.382 1.042 0 50 FDAA Cc1noc(C)c1CN1CC[C@@H](NC2CSCCSC2)[C@H](O)C1 299771635 RRTLCDPKEMXCNR-HZPDHXFCSA-N 357.545 1.665 0 50 FDAA CN1CC[C@@H](N(C)CCC(=O)NCCc2nc(O)c3ccccc3n2)C1 299757865 KTRSJYCRQLVCIC-CQSZACIVSA-N 357.458 1.020 0 50 FDAA CN(C)S(=O)(=O)Nc1cccc(NC(=O)N2CCC3(CCO3)CC2)c1 299790813 BSLCZQPLYBTNJJ-UHFFFAOYSA-N 368.459 1.692 0 50 FDAA COCCN1C[C@]2(CCCN(C(=O)c3cccn4cnnc34)C2)CCC1=O 299768975 HOTKJAMGEBKQOG-IBGZPJMESA-N 371.441 1.221 0 50 FDAA CN1CC[C@H](N(C)CCC(=O)NCCc2cnn(-c3ccccc3)c2)C1 299792670 GOZPZCPZYNYPJB-IBGZPJMESA-N 355.486 1.557 0 50 FDAA CSCc1nc(CNC(=O)N(C)C2CCS(=O)(=O)CC2)cs1 584898567 SBOVBCCJOJMLML-UHFFFAOYSA-N 363.530 1.725 0 50 FDAA CC(C)[C@H]1CN(C(=O)c2ccc(Cn3cccn3)o2)C[C@@H]1NC(=O)N(C)C 1565506016 MXCAJLMYWBXTEU-CVEARBPZSA-N 373.457 1.892 0 50 FDAA Cc1ncsc1CCC(=O)N[C@H]1CCN(Cc2cscn2)C[C@@H]1O 1565511169 KZGQLZULIOLRHL-KBPBESRZSA-N 366.512 1.592 0 50 FDAA CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCO[C@H](CC(=O)O)C2)c1 269053266 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Cc1nn(-c2nc3c(c(=O)n(C)c(=O)n3C)n2CCC(C)C)c(C)c1C 12517990 DDOVTDPFBGJAGU-UHFFFAOYSA-N 358.446 1.591 0 50 FDAA Cc1cnccc1CNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1 15065096 HYNGMMBNIRNZBN-SFHVURJKSA-N 370.428 1.536 0 50 FDAA Cc1ccc(NC(=O)C[C@@H]2SC(=O)N(CN3CCOCC3)C2=O)cc1 19791792 JRKWLWCCEQHLRX-AWEZNQCLSA-N 363.439 1.677 0 50 FDAA Cc1n[nH]cc1-c1nc([C@H]2CCc3ncnn3C2)n(CCc2cnc[nH]2)n1 1857678786 RKCCFAYKNZYEJC-LBPRGKRZSA-N 364.417 1.264 0 50 FDAA Cc1nc2ccc(Cl)cn2c1C(=O)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857721149 BSVGUPKSUGFJPL-PXAZEXFGSA-N 360.801 1.469 0 50 FDAA Cc1c(NC(=O)[C@H]2CC[C@H]3OCCN[C@@H]3C2)cccc1-c1nncn1C 1857727902 FCYMOLWHQIEALL-IAOVAPTHSA-N 355.442 1.886 0 50 FDAA O=C(COc1ccccc1O)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 210403220 UCSWLECAIKNWDA-ZBFHGGJFSA-N 371.389 1.877 0 50 FDAA Cc1ccc(S(=O)(=O)NC[C@@H]2CCCS(=O)(=O)C2)c(Cl)c1 329190187 CHELTOZVVYJQLB-NSHDSACASA-N 351.877 1.752 0 50 FDAA CN1C[C@@H](NC(=O)N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)CC1=O 332961956 GUBKLIZBZJRQGO-RXVVDRJESA-N 370.497 1.915 0 50 FDAA Nc1ncc(Cl)cc1S(=O)(=O)N1CCC(c2ccncn2)CC1 333921696 QWDQEFOVWCWARB-UHFFFAOYSA-N 353.835 1.676 0 50 FDAA C=CC(=O)NCc1ccc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1 266190908 NAWHSAYVLWXHAQ-QAPCUYQASA-N 357.454 1.282 0 50 FDAA Cc1c(Cl)ccc(S(=O)(=O)N2CC[C@H](O)[C@@H](C(=O)O)C2)c1Cl 1704297699 FALYLEKIJVTADJ-WPRPVWTQSA-N 368.238 1.758 0 50 FDAA Cn1ccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(CN)cc2)cc1=O 1875263608 CXUWPNXAWCUEOJ-QGZVFWFLSA-N 368.437 1.477 0 50 FDAA O=C(Cc1ccc2c(c1)CCCC2)N1C[C@@]2(C(=O)O)CC[C@]2(C(=O)O)C1 1875277599 SYKZTZSWYNZWTM-WOJBJXKFSA-N 357.406 1.886 0 50 FDAA Cc1c(C(=O)N2CCC[C@@]23CCC[S@@](=N)(=O)C3)nn2c1OCCC2 1875395713 JNORZNBBRPSZTH-UPCLLVRISA-N 352.460 1.789 0 50 FDAA O=C(O)[C@H]1C[C@@H]2C[C@@H](NC(=O)[C@H]3CCCN(C(=O)N4CCCC4)C3)[C@@H]2C1 1875306292 ZLYPPDYWRACLQZ-ZVDSWSACSA-N 363.458 1.530 0 50 FDAA CO[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1NC1CC(c2ncc[nH]2)C1 1875399531 ZNZKHWIOHMKJLE-PFSRBDOWSA-N 357.462 1.005 0 50 FDAA C=CC(=O)N1CCC(C(=O)N[C@@H]2CCCN(C(=O)c3cc(C)no3)C2)CC1 1875367182 XRKVKPHCBVWDNC-OAHLLOKOSA-N 374.441 1.128 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1ccccc1-n1ccnn1 1875401031 QXTPUYAUPVOUKS-FRFSOERESA-N 352.398 1.033 0 50 FDAA Cn1c(O)nnc1[C@H]1[C@@H](C2CC2)CCN1C(=O)c1cnc2c(c1)CCOC2 1875401550 LABGXXXXSNGFIP-GDBMZVCRSA-N 369.425 1.602 0 50 FDAA Cc1cc(C(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)nn1-c1ccc(F)cc1 888079446 HLDITKCAMWFLIM-USXIJHARSA-N 355.373 1.621 0 50 FDAA CN1CC[C@H](C(=O)NCc2nnnn2-c2ccccc2)[C@@H]1c1ccccc1 896242819 VQIJNTOLVHFMQW-HKUYNNGSSA-N 362.437 1.972 0 50 FDAA COc1ccc([C@@H](CNC(=O)NCCCC(=O)NC2CC2)N(C)C)cc1 2325700766 OQFZMNVMLXOAIK-QGZVFWFLSA-N 362.474 1.656 0 50 FDAA Cn1nnc(CS(=O)(=O)Cc2cnn(C)c2C(F)(F)F)c1C(F)F 2325770599 JAWJZWHTUUJASM-UHFFFAOYSA-N 373.307 1.620 0 50 FDAA O=C(c1ccn2c(O)nnc2c1)N1CCNC[C@H]1c1cccc(Cl)c1 2325857840 RFGNVJFLPKUXFJ-AWEZNQCLSA-N 357.801 1.875 0 50 FDAA CN(CCN1CCN(c2nc(Cl)ncc2F)CC1)C(=O)C(F)F 2325868068 NVIAUFRZZOTHQY-UHFFFAOYSA-N 351.760 1.115 0 50 FDAA N[C@H](Cc1cccc(F)c1)c1cn(Cc2cc(O)n3nccc3n2)nn1 2325871933 AETULROFDFOFID-CQSZACIVSA-N 353.361 1.456 0 50 FDAA O=C(NC[C@H]1CCCO1)C1CCN(S(=O)(=O)c2cccs2)CC1 1472308 XFTUIWYNCULQJB-CYBMUJFWSA-N 358.485 1.444 0 50 FDAA Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCN=c1nc[nH]n1C)O2 2356135104 PNJZYUSQYDNUNO-LJQANCHMSA-N 373.457 1.180 0 50 FDAA COc1ccc(CCNC(=O)C(=O)NCCCOC(C)C)cc1OC 4703045 DRMZJFHUKQILDZ-UHFFFAOYSA-N 352.431 1.294 0 50 FDAA CC1=NNc2nc3c(c(=O)n(Cc4cccc(C)c4)c(=O)n3C)n2[C@H]1C 8704239 MDNQJIWCJXRMHL-LBPRGKRZSA-N 352.398 1.616 0 50 FDAA Cc1n[nH]c(C)c1Sc1ccccc1NC(=O)C[C@H]1NC(=O)NC1=O 55393403 UOVQQUPNGOUOER-LLVKDONJSA-N 359.411 1.714 0 50 FDAA Cn1cc(N2CC[C@@H](Nc3ccc(OCC(F)(F)F)nc3)C2=O)cn1 111372215 FSMJPQUMGWOHJE-GFCCVEGCSA-N 355.320 1.974 0 50 FDAA CCOC(=O)c1[nH]c(=O)[nH]c1CN(Cc1ccccn1)C[C@@H]1CCCO1 55153969 XQTKTLBQMUABAI-AWEZNQCLSA-N 360.414 1.456 0 50 FDAA COCCSc1nnc(NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)s1 59745402 SDBOGVABHINEHN-SNVBAGLBSA-N 373.504 1.609 0 50 FDAA CN(C(=O)c1ccc(N2CCCCS2(=O)=O)cc1)[C@H]1CCCC[C@@H]1O 67601833 ZHAWXBNQFFBRNH-IRXDYDNUSA-N 366.483 1.992 0 50 FDAA Cc1ccccc1CNC(=O)N1CCC[C@H](Cn2cc(C(=O)O)nn2)C1 65533064 JKQGDRCCNTYIAN-AWEZNQCLSA-N 357.414 1.907 0 50 FDAA CN(CC1(CO)CC1)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 67878641 KXDGPMXOGWDBKS-UHFFFAOYSA-N 360.366 1.827 0 50 FDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCc1ncc[nH]1)CO2 67954454 QBCCISYHHYLVLQ-CYBMUJFWSA-N 357.414 1.015 0 50 FDAA Cc1noc(CN(C)C[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)n1 67447038 JGWULNDFQXWJCW-FQEVSTJZSA-N 372.469 1.796 0 50 FDAA O=C1N[C@](c2ccccn2)(C2CCNCC2)C(=O)N1CCN1CCCCC1 67786337 QHZRJSXPGPNLJO-FQEVSTJZSA-N 371.485 1.314 0 50 FDAA O=C(NC[C@H]1CCc2ccccc2O1)c1cn(CCN2CCCCC2)nn1 12030442 YKRROHXQGLUBCS-QGZVFWFLSA-N 369.469 1.888 0 50 FDAA COc1cc(CN2CCC[C@@](O)(CO)C2)ccc1OCCN1CCCC1 72423371 QCSWWLDUNQRDPE-FQEVSTJZSA-N 364.486 1.489 0 50 FDAA CN(C)S(=O)(=O)N1CCN(Cc2nn(C)c3cccc(Cl)c23)CC1 215533478 MJBZXQKTADQSBQ-UHFFFAOYSA-N 371.894 1.151 0 50 FDAA CCOC(=O)c1ncn(C2CCN(C(=O)[C@@H]3O[C@@H](C)C[C@@H]3C)CC2)c1N 253417298 FBKSMQOVIXBRHO-SLEUVZQESA-N 364.446 1.619 0 50 FDAA O=C(c1ccn2nnnc2c1)N1CCC([C@H](O)CCc2ccccc2)CC1 77338341 PUGUJQKOEABWBO-GOSISDBHSA-N 365.437 1.970 0 50 FDAA CCn1c(C)cc(C(=O)N2CCN(c3cc(C)nc4ncnn34)CC2)c1C 73291614 CPHOIQPHQLPPMF-UHFFFAOYSA-N 367.457 1.833 0 50 FDAA O=C(O)CCc1cc2n(n1)CCN(C(=O)c1ccc(CN3CCCC3)o1)C2 72469146 RRKBDNFZFAXEPU-UHFFFAOYSA-N 372.425 1.745 0 50 FDAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[C@H](Cn2cncn2)C1 329682720 SPJPQSHORVAMDR-HNNXBMFYSA-N 368.445 1.204 0 50 FDAA O=C(N[C@@H]1CCCc2c1cnn2CCO)c1cccnc1N1CCCC1 371303313 CWVNTXSQSWLFGW-MRXNPFEDSA-N 355.442 1.678 0 50 FDAA Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)CCn2ccnn2)C1 491502846 UMYOESLVJNWPFQ-NSHDSACASA-N 356.352 1.827 0 50 FDAA Nc1nc2c(c(=O)[nH]1)CCN(C(=O)c1ccc(Oc3ccccc3)o1)C2 72170246 SUKONBQZPUHYOP-UHFFFAOYSA-N 352.350 1.936 0 50 FDAA O=C(O)[C@@H]1CN(C(=O)C2CCN(c3nc4ccccc4o3)CC2)CCO1 262345199 AFGRSEMKVZAJBJ-HNNXBMFYSA-N 359.382 1.356 0 50 FDAA C[C@H]1CC(=O)c2cc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]c2C1 71384781 QGGHQHDWPNIGNE-SNVBAGLBSA-N 354.362 1.799 0 50 FDAA O=C(CN1CCOC1=O)N[C@@H]1CC(=O)N(Cc2cccc3ccccc23)C1 72128963 LVEPWBWRSFMWIH-MRXNPFEDSA-N 367.405 1.509 0 50 FDAA C[C@@H](O)[C@@H]1CN(Cc2cc3c(cc2Br)OCCO3)CCO1 332535366 UWXFRGAAFJYHDA-BMIGLBTASA-N 358.232 1.802 0 50 FDAA Cn1ccnc1CN1C[C@@H](C(=O)O)C[C@@H](C(=O)Nc2ccc(F)cc2)C1 71745878 AAEOLOSKXXHZJP-OLZOCXBDSA-N 360.389 1.721 0 50 FDAA CNC(=O)Cn1cc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)cn1 171993245 SIJHDSGNAVCLEL-CRAIPNDOSA-N 369.425 1.177 0 50 FDAA COc1cc(NC(=O)c2cnc3c(c2)NC(=O)CO3)ccc1NC(N)=O 378419445 DEQGUJNFDCXUKX-UHFFFAOYSA-N 357.326 1.164 0 50 FDAA NCCCNC(=O)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71749671 HEZCJHNZOPAXHD-GOSISDBHSA-N 359.518 1.223 0 50 FDAA COC[C@H]1[C@@H](NS(=O)(=O)c2c(C)cc(OC)c(C)c2C)[C@@H]2CCO[C@@H]21 218924514 FUMZALFYQWVREH-OTRWWLKZSA-N 369.483 1.949 0 50 FDAA NC(=O)CCC(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 72435159 JNGPCOPYLZVOJU-IBGZPJMESA-N 358.442 1.078 0 50 FDAA O=S(=O)(c1ccc(Br)cn1)N1CC[C@@H]([C@@H]2CCOC2)C1 333118485 UOTUHXZYRVSPIG-GHMZBOCLSA-N 361.261 1.891 0 50 FDAA CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N2CCO[C@H](c3cnn(C)c3)C2)C1 333309715 VDFGAMJKAVFYRQ-DXFMMSEISA-N 368.503 1.583 0 50 FDAA CCCn1nccc1C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCCOC)C1 72431743 YQMKYSGYKVNQQR-JKSUJKDBSA-N 362.474 1.783 0 50 FDAA CN(C)Cc1nnc([C@@H]2CCCN(Cc3cccc4nonc34)C2)n1C 72423508 YSINKVOTLUCMPW-CQSZACIVSA-N 355.446 1.793 0 50 FDAA COc1ccc(CN2CCN(C(=O)COC[C@H]3CCCO3)CC2=O)cc1 77394026 ZKGWBZOPEPNCLQ-QGZVFWFLSA-N 362.426 1.062 0 50 FDAA CCc1nc(CN(C)C(=O)CCc2ccc(S(=O)(=O)NC)cc2)no1 220197864 MPHDGIBJSNYPDV-UHFFFAOYSA-N 366.443 1.131 0 50 FDAA COc1cccc(-c2cc(C(=O)N3CCC[C@H](c4nc(=O)[nH][nH]4)C3)[nH]n2)c1 282941907 PSNFSLRTAHLJOW-LBPRGKRZSA-N 368.397 1.517 0 50 FDAA CCn1c(C)cc(C(=O)NCc2cc3n(n2)CCN(C(=O)N(C)C)C3)c1C 85532734 NXEOCHSLOBSNQH-UHFFFAOYSA-N 372.473 1.749 0 50 FDAA C[C@@H](C(=O)N1CCC(c2ncon2)CC1)n1cnc2ccccc2c1=O 426683678 AQIFRKORARGGRK-LBPRGKRZSA-N 353.382 1.747 0 50 FDAA C[C@H]1CN(C(=O)CN2CCC3(CC2)Nc2ccccc2NC3=O)C[C@@H](C)O1 82137411 JRGRAMPNNHHIIK-GASCZTMLSA-N 372.469 1.521 0 50 FDAA CCc1nccn1CCC(=O)N1CCC[C@H](c2ccnn2CC(=O)O)C1 426387014 ZSDBIUITHNNCAS-AWEZNQCLSA-N 359.430 1.523 0 50 FDAA CN(C)[C@@H](C(=O)NCc1cn2c(n1)SCC2)c1ccc2c(c1)OCO2 426641301 ALCGYMPRCAAYNX-OAHLLOKOSA-N 360.439 1.637 0 50 FDAA COc1ccc(CN2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)cc1F 95365296 UGGUKVDJMNNFJA-ZDUSSCGKSA-N 350.390 1.732 0 50 FDAA COc1cccc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1 239338944 LLPSZIWVGXFRJN-RIMFYDMWSA-N 352.390 1.687 0 50 FDAA CC(=O)N[C@@H]1CCN(C(=O)c2coc(COc3ccc4c(c3)OCO4)n2)C1 91807234 YMWQWISDTONZCF-GFCCVEGCSA-N 373.365 1.333 0 50 FDAA COc1ccc(NC(C)=O)cc1NC(=O)N[C@H](C)CCN1CCOCC1 95501474 CTHOXILROQYZCQ-CYBMUJFWSA-N 364.446 1.886 0 50 FDAA Cc1ccccc1CSc1nc(N)cc(N2CCO[C@@H](C(N)=O)C2)n1 95371289 AXKABEZBUVPKKU-CYBMUJFWSA-N 359.455 1.350 0 50 FDAA O=C(N1CCOCC1)N1CCC[C@@H](c2nccn2Cc2cccnc2)C1 91664272 CTTWATDEMGJJDA-QGZVFWFLSA-N 355.442 1.958 0 50 FDAA Cc1cc(-c2nc(C)nn2[C@@H]2CCS(=O)(=O)C2)c2c(C)nn(C)c2n1 96165268 NATIWHKESKPPDY-GFCCVEGCSA-N 360.443 1.512 0 50 FDAA CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cc(-c3ccccn3)n[nH]2)CN1C 96162027 HNQFHNGZGFBTGY-GUYCJALGSA-N 370.457 1.143 0 50 FDAA C[C@@H]1CN(C(=O)c2cccc(N3CCS(=O)(=O)CC3)c2)CC[C@]1(C)O 91662970 AQKWBBIYVJEUGN-KDOFPFPSSA-N 366.483 1.154 0 50 FDAA CCN1CCN(C[C@@H]2CN(c3ncc(Cl)cc3F)C[C@@H]2CO)CC1 95361583 TXSUEBKPZAQVQZ-ZIAGYGMSSA-N 356.873 1.556 0 50 FDAA Cc1cc2[nH]c(CN3CCN(c4nc5ccccc5o4)CC3)cc(=O)n2n1 334159667 DADOPOXNNVPXOD-UHFFFAOYSA-N 364.409 1.794 0 50 FDAA NC(=O)Cn1ccnc1C1CCN(C(=O)[C@@H]2Cc3ccccc3S2)CC1 95526357 KPKMCKFROGSMNO-INIZCTEOSA-N 370.478 1.791 0 50 FDAA CCCc1cc(C(=O)N2C[C@H](CO)[C@H](CN3C[C@H](C)O[C@H](C)C3)C2)[nH]n1 92021329 SOGKSTPTDICXIB-QKPAOTATSA-N 364.490 1.152 0 50 FDAA COc1ccccc1N1CCN(C(=O)Cn2cccnc2=O)CC1(C)C 91691716 DOGARNRRHCUBNN-UHFFFAOYSA-N 356.426 1.379 0 50 FDAA Cc1c([C@@H](C)NC(=O)CN2C(=O)CNC2=O)cnn1-c1cccc(F)c1 91595893 VHDXAEOFBDZABD-SNVBAGLBSA-N 359.361 1.049 0 50 FDAA O=C1CCC2(CCN(C(=O)[C@H]3CCCCO3)CC2)CN1CCc1c[nH]cn1 91933112 SVRUXRMVQLUGRF-QGZVFWFLSA-N 374.485 1.753 0 50 FDAA Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N1CCC(F)(F)[C@@H](CO)C1 292435514 UZIRFCPAIOLUQG-CABCVRRESA-N 365.384 1.241 0 50 FDAA O=C(NC[C@H](O)COc1ccccc1)c1cnc(-c2cccnc2)nc1 95366518 DHJAFFHEASOGJC-INIZCTEOSA-N 350.378 1.708 0 50 FDAA CSCCCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCOC2)c1 95383390 WNKWPFFNSZAJCR-CQSZACIVSA-N 372.512 1.627 0 50 FDAA Cc1nnsc1CN1CCC[C@@H](c2nnc(Cn3cccn3)n2C)C1 95387462 GVGBWNDFIFOAAR-CYBMUJFWSA-N 358.475 1.599 0 50 FDAA C[C@@H](NC(=O)Nc1cccc(C(=O)N2CCN(C)CC2)c1)c1ncnn1C 97546559 TXMIVYUVSGIXOJ-CYBMUJFWSA-N 371.445 1.085 0 50 FDAA CCCN(C[C@@H]1CCCCO1)S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 181187746 AXZUSZZUENMAKR-AWEZNQCLSA-N 371.503 1.697 0 50 FDAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2ccc3c(c2)OCCO3)c1O 253623737 JHBPMIFMASBHIZ-JTQLQIEISA-N 374.349 1.058 0 50 FDAA biogenic CCOc1cccc2c1OC[C@H](C(=O)N(CCN(C)C)CC(=O)O)C2 299750232 MZGHMYBCHHESKN-CQSZACIVSA-N 350.415 1.111 0 50 FDAA CCCNC(=O)CN1C(=O)N[C@H](c2ccc(OCC)cc2)C2=C1COC2=O 263619671 ZYJLFDPXHTZWAO-QGZVFWFLSA-N 373.409 1.489 0 50 FDAA O=c1[nH]c(NCCCN2CCC(O)CC2)nc2c1Cc1ccccc1OC2 95516809 CWSGKCSOVGNUNB-UHFFFAOYSA-N 370.453 1.512 0 50 FDAA Cc1cc(F)ccc1C(=O)NCc1cc2n(n1)CCN(S(C)(=O)=O)C2 299776199 LEQZYSBPKROPTB-UHFFFAOYSA-N 366.418 1.036 0 50 FDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccc(Cl)cc1 1940193481 ZOAHKWNMCYTJQX-GWCFXTLKSA-N 361.851 1.368 0 50 FDAA CC(C)CC(=O)N[C@@H]1C[C@@H](C(=O)NC2Cc3ccccc3C2)CC[C@H]1O 1940197173 XAKXZOQLKKMQRS-QXAKKESOSA-N 358.482 1.962 0 50 FDAA COCCN1C[C@@]2(CCCN(C(=O)c3cccn4cnnc34)C2)CCC1=O 299768977 HOTKJAMGEBKQOG-LJQANCHMSA-N 371.441 1.221 0 50 FDAA CCCn1nc(CC(N)=O)nc1Cc1cc2c(cc1Cl)OCCO2 823032948 ACIGTVZRABIOQT-UHFFFAOYSA-N 350.806 1.731 0 50 FDAA O=C(O)[C@@H]1CCCN(S(=O)(=O)NCC2(N3CCCCC3)CCCC2)C1 828475305 JMWDWZMYMJFISD-OAHLLOKOSA-N 373.519 1.416 0 50 FDAA O=C(Cc1cccnc1)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670438274 ZQAXJDSPHWPJCG-NFOQDIRWSA-N 362.477 1.308 0 50 FDAA O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N[C@@H]1C[C@H]2OCC[C@@H]12 1074584093 SUSMLCRFCLKXAA-JMJZKYOTSA-N 350.724 1.814 0 50 FDAA COc1cc(-n2cnnn2)ccc1NC(=O)c1cnc(-c2ccccn2)nc1 952969963 JCEJUPGCJJIIJC-UHFFFAOYSA-N 374.364 1.775 0 50 FDAA Cc1cnc(NC(=O)CNC(=O)N2CCN(c3ccccc3)CC2)s1 886025155 BEWYDQPYGSCOMW-UHFFFAOYSA-N 359.455 1.922 0 50 FDAA CCn1ncc(S(=O)(=O)N(C)CC2CCN(CCOC)CC2)c1C 952982749 CDNDGLUXGCUTML-UHFFFAOYSA-N 358.508 1.190 0 50 FDAA COc1ccc(NC(=O)c2cn(CC[C@H]3CCCCN3)nn2)c2nonc12 952984699 YVJFZDGBCVHOEV-LLVKDONJSA-N 371.401 1.607 0 50 FDAA Cc1nc(CC(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2cnccn2)C3)cs1 1565525218 MJQMWXNOSYKONI-HIFRSBDPSA-N 371.466 1.547 0 50 FDAA Cc1cc(S(=O)(=O)N2CC[C@@](CC(=O)O)(C(=O)O)C2)sc1Cl 276416879 AGWQHHNXJWHWNO-LBPRGKRZSA-N 367.832 1.650 0 50 FDAA CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCC2(CO)CCCC2)c1 170598458 MTZQLCDOPQTPPW-UHFFFAOYSA-N 368.499 1.998 0 50 FDAA NC(=O)c1ccccc1CC(=O)N[C@H]1CCN(c2ccccc2F)C1=O 192046765 YAFKUAKUUYWPIF-HNNXBMFYSA-N 355.369 1.389 0 50 FDAA CCNc1nc(C)c(C(=O)N2CCC[C@H](c3nnc(CO)n3C)C2)s1 1506429259 SSXILNGIIKLYQV-NSHDSACASA-N 364.475 1.524 0 50 FDAA COC[C@H]1CCCN(S(=O)(=O)N2CCCN(C3CCCCC3)CC2)C1 1506395102 CERRMRQHRQBMLM-KRWDZBQOSA-N 373.563 1.930 0 50 FDAA O=C1CO[C@H](C(=O)NCC2(CN3CCCC3)CC2)[C@@H](c2ccccc2)N1 1529141837 QLGIJGVWULSBKX-MSOLQXFVSA-N 357.454 1.235 0 50 FDAA COCCC(=O)N1C[C@@H]2OC(=O)N(Cc3ccc(OC)c(OC)c3)[C@@H]2C1 211158087 RWJMALDNYYPWDB-CJNGLKHVSA-N 364.398 1.272 0 50 FDAA CN1C(=O)[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c3cccc(F)c3n1)C2 1704315589 LGKIDTRQQVUOSJ-MNOVXSKESA-N 359.357 1.009 0 50 FDAA CCN1C[C@@H](C(=O)N2CCCN(c3ncccc3Cl)CC2)CC1=O 1800411091 FCUFBPAYOKCYPM-ZDUSSCGKSA-N 350.850 1.642 0 50 FDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc(O)nc3)C1)CC2 1704341030 OPUJPVAOYVKASS-LJQANCHMSA-N 353.426 1.763 0 50 FDAA CN(CCn1cc(C(=O)N2CCCCC2)nn1)C(=O)Cc1ccccc1F 12005379 ZBNKHXVNYLFSAT-UHFFFAOYSA-N 373.432 1.744 0 50 FDAA CN(C)CCN1C[C@H](C(=O)NCCc2ccccc2Cl)CCC1=O 12031705 PDUCUEDJVNINND-OAHLLOKOSA-N 351.878 1.799 0 50 FDAA CCc1noc(-c2cn([C@@H]3CCN(C(=O)c4cc(C5CC5)n[nH]4)C3)nn2)n1 169777974 GVILFSRLGQOWBM-LLVKDONJSA-N 368.401 1.578 0 50 FDAA COc1ccc(CN2C(=O)N[C@H](CCC(=O)Nc3ncc[nH]3)C2=O)cc1 206228631 UVJJMZMKOJIXOX-CYBMUJFWSA-N 357.370 1.258 0 50 FDAA O=C(N[C@H]1C[C@H](Cn2ccnc2)C[C@@H]1O)c1ccc(-n2cnnc2)cc1 1857527618 WIOMRWANYZUNJG-JQFCIGGWSA-N 352.398 1.033 0 50 FDAA c1cncc(CN2CC[C@@]3(C2)Cn2c(CCn4cccn4)nnc2CO3)c1 1857694154 CKXOMOUHZBKSFV-LJQANCHMSA-N 365.441 1.287 0 50 FDAA c1c(-c2nc(C3CCCC3)nn2C[C@@H]2COCCO2)nc2n1CCNCC2 1857733989 IYBFGHODSHOBLZ-OAHLLOKOSA-N 372.473 1.360 0 50 FDAA CSCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3ccccc3)[C@H]3CC[C@]2(C1)O3 1857738230 XUKSMNDKFUGQFO-WFXMFSGNSA-N 360.479 1.785 0 50 FDAA CN1C(=O)[C@H]2COC[C@@H]1CN(C(=O)c1csc(Cc3ccccc3)n1)C2 1875240995 NLZHHGUTGQBDKZ-CABCVRRESA-N 371.462 1.663 0 50 FDAA Cc1ccc(OC2CCN(CC(=O)N3CCC[C@H](C(N)=O)C3)CC2)cc1 116882408 MRRLZVRWZHFCIV-INIZCTEOSA-N 359.470 1.562 0 50 FDAA Cc1ncccc1O[C@H]1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)C1 328627760 NBLZJTTWXOBRJZ-LBPRGKRZSA-N 374.422 1.814 0 50 FDAA O=C(N[C@H]1CCS(=O)(=O)C1)N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 333305945 QVZCCZVHPUBGAE-BFHYXJOUSA-N 358.847 1.344 0 50 FDAA CO[C@H]1C[C@@H](CNC(=O)c2ocnc2C2CC2)N(c2cc(C)ncn2)C1 952890586 FFAKUQFKHLDHMT-KBPBESRZSA-N 357.414 1.674 0 50 FDAA CCNC(=O)[C@H]1CN(C(=O)NCC2SCCS2)c2ccccc2O1 1875267601 TYOPYHDRZIGFJU-CYBMUJFWSA-N 367.496 1.906 0 50 FDAA O=C1CCCN1c1ccc(S(=O)(=O)Nc2cnc3c(c2)CCO3)cc1 1875298488 CESVTCRWXLUPPE-UHFFFAOYSA-N 359.407 1.944 0 50 FDAA CO[C@@H]1CN(C(=O)c2cc(-c3ccc4c(c3)OCCO4)[nH]n2)[C@H]2COC[C@@H]12 1875299105 ZHRAEBXKCRORCP-HNJNHCNJSA-N 371.393 1.334 0 50 FDAA O=C(O)[C@@H]1CC[C@H](C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)CN1 1875267124 CNOXXQDBOOSESK-XIRDDKMYSA-N 364.417 1.551 0 50 FDAA C=CC(=O)N1CCN(C(=O)c2nc(N3CCCC3)ncc2Cl)[C@@H](C)C1 1875380847 BWPDFZNSLFOIOV-LBPRGKRZSA-N 363.849 1.589 0 50 FDAA CCC(=O)N[C@H](C(=O)N1CCC(C(=O)N2CCC2)CC1)c1ccccc1 1875320794 LFJATQQASAFRGE-SFHVURJKSA-N 357.454 1.725 0 50 FDAA C=CC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)C(F)(F)c1cnn(CC)c1 1875386175 KQHZDEGIYOJRRZ-JSGCOSHPSA-N 354.401 1.972 0 50 FDAA NC(=O)N[C@H]1CCN(C(=O)c2csc(I)c2)C1 408020886 FEZHFXCOWQJALZ-ZETCQYMHSA-N 365.196 1.236 0 50 FDAA CCOC(=O)c1c(C)n(C(=O)c2ccco2)c(=O)n1C(=O)c1ccco1 1446265 HAPFPNSMGAADOQ-UHFFFAOYSA-N 358.306 1.698 0 50 FDAA CCOc1ccc2nc(NC3=NCN(CCCOC)CN3)nc(C)c2c1 19330427 QFNGCFMGWVPCAH-UHFFFAOYSA-N 358.446 1.962 0 50 FDAA COc1ccc([C@H]2NC(=O)[C@H](Cc3ncccc3C)NC2=O)cc1Cl 2325770397 OXLLPJIIHRUORU-GOEBONIOSA-N 359.813 1.950 0 50 FDAA O=C(N=c1ccn(Cc2ccncc2)[nH]1)c1ncoc1[C@@H]1[C@H]2CN[C@H]1C2 2325775944 KUWHQWHEBLAJBO-VNHYZAJKSA-N 350.382 1.064 0 50 FDAA O=C(O)[C@@H]1CCC[C@@H](NC(=O)N2CCn3ncc(Br)c3C2)C1 2325778403 YFUIATBNODFSQS-NXEZZACHSA-N 371.235 1.814 0 50 FDAA CC(=O)N1CC[C@@H]2CN(C(=O)c3ccc4c(c3)CCNCC4)C[C@@H]2CC1 2325796048 OQTUTPOSXJWBIP-BGYRXZFFSA-N 355.482 1.705 0 50 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O=C(COC1CCCC1)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1 298625428 BJYDRZAGTTXKIZ-HNNXBMFYSA-N 352.456 1.557 0 50 FDAA O=C(NCCCN1CCOCC1)c1ccc(-c2cnc3ncnn3c2)cc1 534640868 QXJNIELKOAMYFW-UHFFFAOYSA-N 366.425 1.243 0 50 FDAA CC(C)N1CCN(C(=O)c2nnn3c2CO[C@H](c2ccccc2)C3)CC1 263617128 MEEUQRMJCUDTOB-KRWDZBQOSA-N 355.442 1.716 0 50 FDAA Cc1nn(C(C)C)c(C)c1C(=O)NCC[C@H]1CCC(=O)N1CCN(C)C 299758258 KXNAHKSLGYNGBO-MRXNPFEDSA-N 363.506 1.753 0 50 FDAA CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)Nc1ccccc1CC(=O)N(C)C 299776244 MDAYDACBLPVIEO-HNNXBMFYSA-N 360.458 1.838 0 50 FDAA O=C(CCn1cnnc1)NCC1CCN(C(=O)/C=C/c2ccccc2)CC1 827822516 ZXZIIMLLTLTHEF-VOTSOKGWSA-N 367.453 1.736 0 50 FDAA O=C(c1ccccc1N1CCOCC1)N1CCN(C2CCCC2)C(=O)C1 828286404 NAFNMUQYCKEFDC-UHFFFAOYSA-N 357.454 1.750 0 50 FDAA COC[C@H]1CCCN1S(=O)(=O)NCc1ccccc1-n1ccnc1 824371030 NSHDDVJYPQPBAH-OAHLLOKOSA-N 350.444 1.318 0 50 FDAA CC(C)CN(Cc1cnn(C)c1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 670458587 VVEGMIIHLASATQ-KRWDZBQOSA-N 374.441 1.989 0 50 FDAA CCc1ncnc(N2CCC3(CC2)CN(C[C@@H]2CCOC2)CCO3)c1F 952977385 QGMDGTRCIVSHPV-HNNXBMFYSA-N 364.465 1.886 0 50 FDAA c1ccn2c(CCCn3ccnc3-c3cc4n(n3)CCCNC4)nnc2c1 72425026 HGJFNKRPBTUXHK-UHFFFAOYSA-N 362.441 1.915 0 50 FDAA CCc1nccn1CCC(=O)N1C[C@@H]2CC[C@H]1CN(C1CCOCC1)C2 1565509436 GNYBCDXVVSXMLQ-AEFFLSMTSA-N 360.502 1.937 0 50 FDAA O=C(CN1CCCCCC1)N[C@H]1CCN(Cc2cscn2)C[C@@H]1O 1565516664 PDKKCTJZEIJGOB-HOTGVXAUSA-N 352.504 1.071 0 50 FDAA COc1ccc(CCCC(=O)N[C@H]2CCOC[C@@H]2OCC(=O)O)cc1 1565525434 VHGOXKMGXDFMCV-HOTGVXAUSA-N 351.399 1.393 0 50 FDAA COC[C@H]1[C@H](NC(=O)c2cnc(N3CCCCC3)nc2C)[C@H]2CCO[C@H]21 1565508517 ZJMPAYGFRYIARX-XLNGHYISSA-N 360.458 1.555 0 50 FDAA CC(C)C[C@H](C(=O)N(C)c1ccn(C)n1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 274721191 BIGSSECLXRHMNJ-SOUVJXGZSA-N 358.442 1.749 0 50 FDAA O=C1[C@@H]2C[C@@H](O)CN2C(=O)N1[C@H]1CCc2c(Br)cccc21 170613955 QJLJZNWMRORYER-JCOFBHIZSA-N 351.200 1.834 0 50 FDAA CC(C)Cn1cnc(S(=O)(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)c1 189199055 DDGDXZUFQYJARG-DZGCQCFKSA-N 353.448 1.081 0 50 FDAA C[C@](CNC(=O)C1CCN(c2cnccn2)CC1)(C(=O)O)c1ccccc1 193091497 GCKWHXLREKHIQQ-HXUWFJFHSA-N 368.437 1.852 0 50 FDAA CN(C)CCc1nnc(NC(=O)CN2CCOc3ccccc3C2)s1 1529090886 KAYDDSMUOXTEMX-UHFFFAOYSA-N 361.471 1.475 0 50 FDAA O=C(CN1CCOC1=O)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1529158668 ICNDMYYLGXECAK-PBHICJAKSA-N 355.394 1.049 0 50 FDAA CN1CCC[C@]2(C(=O)O)CCN(C(=O)Cn3cc4ccccc4n3)C[C@@H]12 1704342270 LDYZKQXBEYLGSM-APWZRJJASA-N 356.426 1.434 0 50 FDAA CN1CC[C@]2(C(N)=O)CCCN(Cc3cn(-c4ccccc4)nn3)[C@H]2C1 1857705695 REZVFGBQWAXEIZ-PKOBYXMFSA-N 354.458 1.039 0 50 FDAA Cc1ncnc(C)c1C(=O)N1CCC2(CCc3c(O)nc(=N)[nH]c32)CC1 1857709982 BORZTKZOBLSHJP-UHFFFAOYSA-N 354.414 1.122 0 50 FDAA CCC[C@@]1(CO)CN(C(=O)c2cnc(-c3ccccn3)nc2)CC[C@H]1O 1857712244 NLAMJRCPLQXYFN-APWZRJJASA-N 356.426 1.524 0 50 FDAA COCC(=O)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857714443 UXBSBAFGLGIODI-IBGZPJMESA-N 354.410 1.697 0 50 FDAA N[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3ccc4c(c3)Cc3ccccc3-4)C[C@@H]12 1857728844 OLHQCBBOHBDLMV-ZCNNSNEGSA-N 354.475 1.814 0 50 FDAA O=C(c1cnc(O)c(Br)c1)N1CCC[C@@H](c2nc(O)n[nH]2)C1 328763888 GAFVDUMTMNDTPK-SSDOTTSWSA-N 368.191 1.393 0 50 FDAA CCOC(=O)N1CCN(C(=O)CN(CC)[C@@H]2CCOC(C)(C)C2)CC1 810043994 VNYFCOZHLJXKKQ-OAHLLOKOSA-N 355.479 1.567 0 50 FDAA CN(C)[C@@H]1CN(C(=O)c2cccc3c2OC(C)(C)C3)C[C@@H]1n1ccnn1 862936268 FWFDHHXUYPCYOE-CVEARBPZSA-N 355.442 1.619 0 50 FDAA CCN1C(=O)CC[C@H](CN[C@H](C)Cc2cnccn2)[C@H]1c1cnn(C)c1 952886750 AHKYDZFJCREXSE-CLCXKQKWSA-N 356.474 1.731 0 50 FDAA CO[C@@H]1C[C@H](CNC(=O)c2cccn2C(C)C)N(c2cc(N)ncn2)C1 952887606 UAALBCPJBUAAHI-ZIAGYGMSSA-N 358.446 1.465 0 50 FDAA Cc1cc(C(=O)N[C@@H]2CN(C)C[C@H]2c2cncn2C)cc(NC2CC2)n1 952888762 MQGCFSMNQBDIDZ-HZPDHXFCSA-N 354.458 1.525 0 50 FDAA CN1[C@@H](CNC(=O)[C@]2(Cc3ccc(F)cc3)CCCO2)CCS1(=O)=O 1875392901 ZDHUWAPAMNWZTM-NVXWUHKLSA-N 370.446 1.068 0 50 FDAA Cc1nc(O)cc(-c2ccc(NC(=O)N3C[C@H](N)[C@@H]4COC[C@@H]43)cc2)n1 1875315095 ILWPVFRDTHOECS-DZKIICNBSA-N 355.398 1.347 0 50 FDAA O[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1NCc1cn(CC2CC2)nn1 1875399648 GLUBWNWUIDMASO-APHBMKBZSA-N 350.854 1.467 0 50 FDAA Cc1cc(COCC(=O)N[C@@H]2C[C@]3(C[C@H]2O)CN(C)[C@H]3C(C)C)on1 888094975 OKIHFAISUVXSQR-LMSBXDPUSA-N 351.447 1.096 0 50 FDAA Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CC(Cc2ccoc2)C1 890576105 UDTUXWJSGFWQID-UHFFFAOYSA-N 352.387 1.689 0 50 FDAA COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cc(N(C)C)nc2ccccc12 273355599 UXOMRLHHGZAQRF-INIZCTEOSA-N 367.409 1.538 0 50 FDAA CN1CCN(Cc2ccccc2CNC(=O)c2ccnc(C(=O)O)c2)CC1 2325755601 UQFWUOHKPJWHNS-UHFFFAOYSA-N 368.437 1.457 0 50 FDAA C[C@@H]1CC(=O)Nc2ccc(C(=O)N3CCC(N4CCNCC4)CC3)cc2N1 2325778602 GAMPDSNPIXIUAH-CQSZACIVSA-N 371.485 1.339 0 50 FDAA CO[C@@H]1C[C@H](CNc2cc(-n3ccnc3)ncn2)N(c2cc(C)ncn2)C1 2325802458 INKDBULSGGTZMM-HUUCEWRRSA-N 366.429 1.467 0 50 FDAA CN(CCNC(=O)c1ccn2ccnc2c1)Cc1ccnc(N(C)C)c1 2325866885 CXGIFOMXQDETNS-UHFFFAOYSA-N 352.442 1.657 0 50 FDAA CCN1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc3c(c2)NC(=O)C3)CC1=O 899817341 HOZZFDMCJYKHCO-GDBMZVCRSA-N 370.453 1.453 0 50 FDAA O=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc(C(F)(F)F)s1 789970 BIKPPJVEDXUERV-UHFFFAOYSA-N 356.285 1.792 0 50 FDAA CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)C1 892700 UNZIWRXTMMZSLN-ZDUSSCGKSA-N 354.428 1.609 0 50 FDAA CN1CC[C@H](O)[C@@]2(CCCN(C(=O)c3cccc(N4CCNC4=O)c3)C2)C1 2356143461 ITEPAQGXYHPELS-PXNSSMCTSA-N 372.469 1.135 0 50 FDAA COC(=O)c1cccc([C@@H]2CCCN(C(=O)c3nc(OC)n(C)n3)C2)c1 2356148761 QNNZEOMLGFHZOE-CQSZACIVSA-N 358.398 1.630 0 50 FDAA CC(C)CC(=O)N[C@H](NC(=S)Nn1cnnc1)C(Cl)(Cl)Cl 3130664 IRJRKWFMUVBAIQ-MRVPVSSYSA-N 373.697 1.555 0 50 FDAA O=C(N[C@@H](O)C(Cl)(Cl)Cl)N[C@@H](O)C(Cl)(Cl)Cl 3875798 PPJXIHLNYDVTDI-LWMBPPNESA-N 354.832 1.663 0 50 FDAA endogenous,in-man O=C(NC[C@@H]1CCCO1)c1cc(S(=O)(=O)N2CCCCC2)cs1 6680508 YHEAXIUKVDRNFI-LBPRGKRZSA-N 358.485 1.832 0 50 FDAA CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)OC)cs1 6681577 VBNZMLRPRKMBSB-UHFFFAOYSA-N 354.409 1.695 0 50 FDAA CCN1CCN(c2c(Cl)cccc2NC(=O)C2=NNC(=O)CC2)CC1 55060914 QDJGUWZVCGSNPE-UHFFFAOYSA-N 363.849 1.686 0 50 FDAA Cc1c(CN[C@H]2CCCc3nc(N4CCC(CO)CC4)ncc32)cnn1C 55225641 COZQSGSCYJLMJI-SFHVURJKSA-N 370.501 1.894 0 50 FDAA COC(=O)[C@H](C)CNS(=O)(=O)c1cccc2c(N(C)C)cccc12 225393309 YCIYVUZVPDFBEY-GFCCVEGCSA-N 350.440 1.993 0 50 FDAA O=C(NS(=O)(=O)c1ccc(F)c2ncccc12)[C@H]1C[C@H]2CC[C@H]1O2 225429606 PNPXNISIOHJPEX-SUZMYJTESA-N 350.371 1.746 0 50 FDAA COc1ccc([C@H](CC(=O)O)NC(=O)COCC(F)(F)F)c(OC)c1 225551719 IZTHYXYACKYBTN-NSHDSACASA-N 365.304 1.915 0 50 FDAA COc1ccc(S(=O)(=O)NCCC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 9343029 CTDGXXITLGSYLL-ZIAGYGMSSA-N 354.472 1.868 0 50 FDAA Cc1cccc(CNC(=O)c2ccccc2NC(=O)CS(C)(=O)=O)c1 55306860 MNCQZXGBZMIIJJ-UHFFFAOYSA-N 360.435 1.908 0 50 FDAA Cc1cc(C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)cc(O)n1 133477188 GQKHCWOXGBEIMR-UHFFFAOYSA-N 357.385 1.762 0 50 FDAA CO[C@@]1(C)O[C@@H]2[C@H](OCc3ccccc3)OC[C@H](O)[C@H]2O[C@]1(C)OC 65734627 JSGIPCRVIQCDPG-RFSXOUPVSA-N 354.399 1.430 0 50 FDAA in-vitro OCc1cn(C[C@@H]2CCCN(Cc3ccc(-n4ccnc4)cc3)C2)nn1 20855274 IQMFUDUFIIFPFI-QGZVFWFLSA-N 352.442 1.868 0 50 FDAA Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](C(=O)NCCCO)C3)n[nH]2)cc1 67883915 DUPXXRHIWWVNSU-MRXNPFEDSA-N 370.453 1.736 0 50 FDAA O=S(=O)(CCCS(=O)(=O)Nc1ccc(F)cc1)NCC1CC1 328598996 PRFCWHLYAMOMBH-UHFFFAOYSA-N 350.437 1.287 0 50 FDAA CN(Cc1nc(-c2ccccn2)no1)C(=O)c1ccc2[nH]c(CO)nc2c1 77439193 MTGWNTNRUJDJGL-UHFFFAOYSA-N 364.365 1.772 0 50 FDAA O[C@@H](COc1ccccc1)CN1CCN(Cc2cccc3nonc23)CC1 253425534 UQCMHQDJZLZZGR-QGZVFWFLSA-N 368.437 1.780 0 50 FDAA O=C(NCc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3)no2)CCN1 72128915 FRAXKQIIZOFHRL-INIZCTEOSA-N 364.409 1.226 0 50 FDAA Cc1c[nH]c(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(CC(C)(C)C)C(=O)[C@@H]24)O3)n1 77321694 VJFWFWNZWUDQPC-NTNQKNOYSA-N 372.469 1.505 0 50 FDAA CC(C)(C(=O)N1CCC(c2nncn2C2CC2)CC1)S(=O)(=O)C1CC1 328827903 SSUGDSPKFIDHEO-UHFFFAOYSA-N 366.487 1.675 0 50 FDAA Cn1nccc1CCC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 121016878 HFLYABAQMSFOTD-UHFFFAOYSA-N 353.426 1.859 0 50 FDAA COc1cc(Cc2noc([C@@H]3CCCOC3)n2)ccc1S(C)(=O)=O 329744105 XPSCSOIIWSGYBX-GFCCVEGCSA-N 352.412 1.967 0 50 FDAA CCS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)CC1 329736269 SJQSNOCCYMCHBN-YJBOKZPZSA-N 364.467 1.221 0 50 FDAA O=C1CN(C(=O)CN2CC[C@H](O)c3ccccc3C2)c2ccccc2N1 374947800 PVWRQYNNZGMARO-SFHVURJKSA-N 351.406 1.911 0 50 FDAA CC(=O)N[C@@H]1CCN(c2nc(-c3ccccn3)nc3c2c(C)nn3C)C1 72454608 WQGHCQURMKMTNH-CYBMUJFWSA-N 351.414 1.449 0 50 FDAA CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[C@@]4(CCCOC4)C3)cc21 375115727 VUGKDEULFKTRFO-SFHVURJKSA-N 364.467 1.787 0 50 FDAA CCn1c(N)nc2cc(C(=O)N3CCC(N4CCOC4=O)CC3)cnc21 77564192 VZIUUWOIXNIEQU-UHFFFAOYSA-N 358.402 1.090 0 50 FDAA COc1cccc([C@H]2C[C@@H](C(=O)N3CCCCC3)N(C)S(=O)(=O)N2)c1 71754883 PAYZMHQIQRFAAF-CVEARBPZSA-N 367.471 1.287 0 50 FDAA CC(C)N(C)S(=O)(=O)c1ccc2c(c1)CCN(C(=O)[C@H]1CCOC1)C2 77407317 XINXRQCKUZJCCX-INIZCTEOSA-N 366.483 1.637 0 50 FDAA C[C@@H]1N(CC(=O)N2CCN(c3cnccn3)CC2)CCC12CCOCC2 373238886 ALKIUSRDUOCAIG-INIZCTEOSA-N 359.474 1.016 0 50 FDAA Cc1nn(C)cc1C(=O)N(C)[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 377813816 IUTGWKFNNXVQPA-CQSZACIVSA-N 358.446 1.726 0 50 FDAA CN1C[C@H](C(=O)N2CCN(c3nccc(-c4ccccc4)n3)CC2)CC1=O 216479921 OBLYBDNHSSOJCH-MRXNPFEDSA-N 365.437 1.271 0 50 FDAA COCc1nc(N(C)C[C@H]2CC(=O)N(C3CCCC3)C2)c2cnn(C)c2n1 72159381 VOMGEINFVLRKPN-CYBMUJFWSA-N 372.473 1.737 0 50 FDAA COc1cccc([C@H](O)Cn2cnc3c(N4CCOCC4)ncnc32)c1 176422048 UUQVACBANBGYRT-OAHLLOKOSA-N 355.398 1.405 0 50 FDAA CCN(CC)S(=O)(=O)c1c(C)nn(Cc2nc(N(C)C)no2)c1C 283561310 PBYXYSQZSAGNIA-UHFFFAOYSA-N 356.452 1.028 0 50 FDAA COc1cc2c(cc1OC)CN(CN1C(=O)[C@@H]3CC=CC[C@H]3C1=O)CC2 241784816 RWZDYYWXIYPIMN-HZPDHXFCSA-N 356.422 1.971 0 50 FDAA CC(C)N1C[C@H](C(=O)NCCNC(=O)c2ccccc2Cl)CC1=O 41396786 DDYNMMPDRMFITL-GFCCVEGCSA-N 351.834 1.443 0 50 FDAA O=C(NCc1cc2n(n1)CCCNC2)c1cc(=O)[nH]c2ccc(F)cc12 82115011 GDEXQUPXQPVRMQ-UHFFFAOYSA-N 355.373 1.287 0 50 FDAA COc1nc2c(cc1C(=O)N1CC[C@@H](Nc3ncccn3)[C@H](O)C1)CCC2 426395428 TXSRUDJVMVZJKB-HZPDHXFCSA-N 369.425 1.056 0 50 FDAA CC[C@H](NC(=O)c1ccc2c(c1)N(C)C(=O)CO2)c1cn2cccnc2n1 426690286 LBXURFWVBVIAFW-ZDUSSCGKSA-N 365.393 1.966 0 50 FDAA Cc1cc(C(=O)NCc2cc3n(n2)CCCN(C(=O)C2CCC2)C3)no1 82155798 RNVURXLRHRQCQF-UHFFFAOYSA-N 357.414 1.642 0 50 FDAA Cn1cc([C@@H](NC(=O)c2cc(=O)[nH]c3ccccc23)C2CC(O)C2)cn1 220347252 OYLPQEWUUPWCIE-LPSAFJIBSA-N 352.394 1.504 0 50 FDAA COCCN(Cc1nccs1)C(=O)c1cnc2c(O)cccn2c1=O 426521589 YJSWJRLTGAHWDE-UHFFFAOYSA-N 360.395 1.145 0 50 FDAA CCCn1ncc(C(=O)N[C@H]2CCCCN(S(=O)(=O)CC)C2)c1C 82099103 GHMJYRLJVSXSTD-AWEZNQCLSA-N 356.492 1.536 0 50 FDAA COc1ccccc1N1CCN(C(=O)CCN2CCCCCC2=O)CC1=O 82161781 XIGYIYFBGSGTGS-UHFFFAOYSA-N 373.453 1.663 0 50 FDAA CC[C@@H](O)c1cc2n(n1)CCN(C(=O)c1nc3ccccc3c(=O)[nH]1)C2 222579149 GAVFETHBTPTOBO-OAHLLOKOSA-N 353.382 1.219 0 50 FDAA COCC[C@@]1(C(=O)O)CCCN(CC(=O)NCc2ccccc2F)C1 91425586 LFPUQEZRIOWODO-SFHVURJKSA-N 352.406 1.645 0 50 FDAA CN(C)S(=O)(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 95362832 USFUSNPSEHPBJV-IAOVAPTHSA-N 371.453 1.633 0 50 FDAA CN1C(=O)[C@H](CC(=O)NCC(C)(C)N2CCc3ccccc3C2)N(C)C1=O 97172927 IMKRXHRTSAMDLL-INIZCTEOSA-N 372.469 1.222 0 50 FDAA CC(=O)Nc1cccc(C(=O)N2CCC[C@H](c3nccn3CC(N)=O)C2)c1 95507185 BHILTQGGEITYHE-HNNXBMFYSA-N 369.425 1.347 0 50 FDAA O=C(O)c1ccc([C@@H]2CCCN(C(=O)C3CCS(=O)(=O)CC3)C2)cc1 95379716 ANYURLQRWOAIPL-MRXNPFEDSA-N 365.451 1.916 0 50 FDAA CN(Cc1ccccc1-n1cccn1)C(=O)C[C@@H]1C(=O)N(C)C(=O)N1C 91536804 ARFVUXPJYUQAND-OAHLLOKOSA-N 355.398 1.113 0 50 FDAA CCc1nccn1CCNC(=O)Nc1cc(OC)ccc1-n1cnnn1 95516640 BNKPGSLLXMLXHT-UHFFFAOYSA-N 356.390 1.252 0 50 FDAA Cc1nc[nH]c1CSCCNC(=O)Cn1ncc2ccccc2c1=O 91665497 QFYGSFYWKQMIIX-UHFFFAOYSA-N 357.439 1.478 0 50 FDAA O=C(Nc1cccnc1)C(=O)N1CCC[C@](CO)(Cc2ccccc2)C1 291453702 IUZGPPVZWBILHV-FQEVSTJZSA-N 353.422 1.864 0 50 FDAA CCC(=O)N1CCC[C@H](C(=O)NCc2noc(Cc3ccccc3)n2)C1 95357813 WVXSMBLYSAVASW-HNNXBMFYSA-N 356.426 1.925 0 50 FDAA O=C(N[C@H](Cc1cnc[nH]1)C(=O)O)c1ccc(CN2CCCCC2)cc1 95387865 LBGNBJYZPWNNRN-QGZVFWFLSA-N 356.426 1.821 0 50 FDAA Cc1ccncc1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCCO)C1 91782074 KJXKBEQIRVZWIR-MJGOQNOKSA-N 360.502 1.241 0 50 FDAA Cc1nc(CN2CCN(C(=O)Nc3ccccc3-n3cccn3)CC2)no1 96151478 ASAPLFRAHKRLQR-UHFFFAOYSA-N 367.413 1.913 0 50 FDAA COc1cc(C)ccc1C(=O)N1CCC2(CCC(=O)N(CCO)C2)CC1 91965154 ISFYLNWAQUZIOG-UHFFFAOYSA-N 360.454 1.841 0 50 FDAA Cc1nccn1Cc1nnc([C@H]2CCCN(C(=O)c3cc[nH]c3)C2)n1C 95358471 LXNTTZIZRXJHHN-HNNXBMFYSA-N 353.430 1.716 0 50 FDAA COc1cccc(C(=O)N2CCC3(CCC(=O)N(CC(N)=O)C3)CC2)c1 91505226 XKJSTAGQPBGNQW-UHFFFAOYSA-N 359.426 1.025 0 50 FDAA Cc1cn2c(=O)cc(CN3CCNC(=O)[C@H]3c3ccc(F)cc3)nc2s1 244742292 OFBKUWBROQKQNJ-MRXNPFEDSA-N 372.425 1.877 0 50 FDAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2cc(C)c(O)c(C)c2)C1 244716131 LIZCMNWSGXVPCZ-OTVXOJSOSA-N 374.441 1.415 0 50 FDAA Cc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)NC[C@H]2CCCO2)cc1 245226822 MYHYPKWOFJYHSL-OWCLPIDISA-N 373.482 1.949 0 50 FDAA COc1ncnc(OC)c1C(=O)N1CCC[C@@H](CC(C)(C)C(N)=O)C1 296103971 PLXPHSVGOJXMIE-NSHDSACASA-N 350.419 1.248 0 50 FDAA 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366.468 1.589 0 50 FDAA COc1ccc(CN(C)C(=O)CC[C@H]2NC(=O)NC2=O)c2cccnc12 92097517 GJMNOYUWXJJXHJ-CYBMUJFWSA-N 356.382 1.190 0 50 FDAA Cc1ccc2c(c1)SCC(=O)N2CC(=O)N1[C@H]2CC[C@@H]1CC(=O)N(C)C2 95505782 NINFACHBZUMCOF-KGLIPLIRSA-N 373.478 1.655 0 50 FDAA O=C(CCCn1nnc2ccccc2c1=O)NC[C@H]1CC[C@H](C(=O)O)CC1 238882048 CAAFKAGWYKKKAT-HDJSIYSDSA-N 372.425 1.579 0 50 FDAA Fc1ccccc1-n1nc(Cn2cncn2)nc1COC[C@H]1CCCO1 96151455 YLZIWGJKGRUNSZ-CYBMUJFWSA-N 358.377 1.742 0 50 FDAA NC(=O)CN1CC2(CCC1=O)CCN(CCOc1ccc(F)cc1)CC2 92077626 UQKNWYJXLBSLKQ-UHFFFAOYSA-N 363.433 1.394 0 50 FDAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)N(CC(=O)N(C)C)C3=O)c(F)c1 95506939 IOLDVYYUAQIZSS-LSDHHAIUSA-N 363.433 1.345 0 50 FDAA O=C1CN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)CCN1Cc1cccc(F)c1 91846609 JIWPRODYTVUXAJ-CQSZACIVSA-N 359.401 1.007 0 50 FDAA O=C(NCc1cc2n(n1)CCCN(Cc1ccc(CO)o1)C2)C1CCC1 92046055 POZJLCOOGWZJBF-UHFFFAOYSA-N 358.442 1.791 0 50 FDAA O=C(O)[C@@H]1CN(C(=O)CCc2nc(Cl)n[nH]2)C[C@H]1c1cccc(F)c1 91270367 YEFYJXKPNITHKM-NWDGAFQWSA-N 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COc1ccc(CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)CSC)cc1 82096487 MBYPHICGMGHJLU-KBPBESRZSA-N 354.447 1.656 0 50 FDAA O=C([C@@H]1CCCN1Cc1ccccc1)N1CCN(C2CCOCC2)CC1 81035580 OUEVDPZOVIKNRE-FQEVSTJZSA-N 357.498 1.974 0 50 FDAA CC(C)(C)c1csc([C@H]2CN(C(=O)CCS(C)(=O)=O)CCO2)n1 282798658 MYRNSAPXNYMZRT-LLVKDONJSA-N 360.501 1.775 0 50 FDAA CCN(CCO)Cc1ccc(-c2nc(CCn3cccn3)cc(=O)[nH]2)cc1 48428294 ILUDUJPSXRGHBQ-UHFFFAOYSA-N 367.453 1.690 0 50 FDAA C[C@@H](Cc1ccccn1)NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 221175275 LNDVXAXONUDVPG-ZDUSSCGKSA-N 365.430 1.734 0 50 FDAA Cc1noc([C@H]2CCCCN2C(=O)c2ccc(-n3cnnn3)cc2O)n1 221433226 WQGDFUGZDNTLNP-CYBMUJFWSA-N 355.358 1.427 0 50 FDAA Cc1noc(C)c1CC(=O)N1CCn2nc(CNc3ncccn3)cc2C1 426535442 JAQGSWIKMCBIPR-UHFFFAOYSA-N 367.413 1.475 0 50 FDAA COCCn1cncc1CNC(=O)Nc1ccccc1CC(=O)N(C)C 426518845 SZWYDHBTLIFHFO-UHFFFAOYSA-N 359.430 1.482 0 50 FDAA CC[C@@H](O)c1cc2n(n1)CCN(C(=O)c1cnn(-c3ccccn3)c1C)C2 220626605 IMMCUQNWLGFAJO-QGZVFWFLSA-N 366.425 1.872 0 50 FDAA 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362.474 1.195 0 50 FDAA COCc1ccc(C(=O)N2CCN(C)[C@]3(CCNC(=O)CC3)C2)s1 91713730 ALJGPMOXLCJKJM-QGZVFWFLSA-N 351.472 1.321 0 50 FDAA CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H]2C[C@@H]1[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 238882193 CRJLBIYEPCAPLO-PTZATXGZSA-N 371.389 1.614 0 50 FDAA CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1ccc2[nH]c(CO)nc2c1 97601051 KZBXSVSIMMVQTA-UHFFFAOYSA-N 369.406 1.625 0 50 FDAA O=C(Cn1c(=O)[nH]c2ccccc21)N1CCN(Cc2cccc(F)c2)CC1 178440336 INTNWASXELLGEW-UHFFFAOYSA-N 368.412 1.813 0 50 FDAA CS(=O)(=O)CCN1CCN(C[C@@H]2CCOc3ccccc3C2)CC1 95520571 NTKPECDEOLDJMQ-MRXNPFEDSA-N 352.500 1.290 0 50 FDAA Cn1nc(C(=O)N2C[C@H](CO)[C@H](CN3CCCC3)C2)cc1-c1cccs1 92046810 NMUFGESZYPQLGW-HUUCEWRRSA-N 374.510 1.925 0 50 FDAA Cc1cc(C)nc(N2CCC(NCCS(=O)(=O)CC(C)C)CC2)n1 95509604 NZBVYQKFWHPTRW-UHFFFAOYSA-N 354.520 1.723 0 50 FDAA COc1cncc([C@@H](NC(=O)c2ccn3cnnc3c2)[C@H]2C[C@@H](O)C2)c1 244787549 PZESSFNNVQGBDX-QEORTHHSSA-N 353.382 1.375 0 50 FDAA O=C(NCCN1CCN(Cc2ccccc2)CC1)N[C@@H]1CCCOCC1 183493057 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Cn1cccc1[C@@H]1COCCN1C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 367690914 UUBMGOPGCQBOGS-WBVHZDCISA-N 374.462 1.886 0 50 FDAA C[C@@H](C1CCN(Cc2cccc(OCC(N)=O)c2)CC1)N1CCN(C)CC1 77286154 ZUACUMXBHQOVEU-KRWDZBQOSA-N 374.529 1.399 0 50 FDAA CCn1c(N)nc2cc(C(=O)NC3CCN(C4CCOCC4)CC3)cnc21 77485912 YFANHKBUZMUFEB-UHFFFAOYSA-N 372.473 1.407 0 50 FDAA CO[C@H]1CN(C(C)C)C[C@@H]1Nc1nc(-c2cccnc2)nc2c1cnn2C 72163583 FDBJPMXICNXZOZ-HOTGVXAUSA-N 367.457 1.945 0 50 FDAA CC(C)(CNC(=O)CN1CCC[C@]2(CCCCO2)C1)N1CCOCC1 376470165 ZSFZFYCLBUNPOK-LJQANCHMSA-N 353.507 1.249 0 50 FDAA COc1cc(F)ccc1N1CCN(S(=O)(=O)C[C@H]2CCOC2)CC1 172024031 DDBYINRUYYTPFP-ZDUSSCGKSA-N 358.435 1.323 0 50 FDAA C[C@H]1NC(=O)CC[C@@H]1NC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 282177659 RCKRMDBOPGQKAU-PELKAZGASA-N 355.225 1.967 0 50 FDAA O=C(COc1ccccc1)NCC(=O)N1CC[C@@](C(=O)O)(C(F)(F)F)C1 263102684 UESUTJVHKHDMQH-OAHLLOKOSA-N 374.315 1.047 0 50 FDAA Cc1nc(CC(C)C)cc(C(=O)N2CCC(n3cc(CO)nn3)CC2)n1 48356911 VJOKJYAVUXTFKV-UHFFFAOYSA-N 358.446 1.545 0 50 FDAA Cn1nccc1[C@@H]1NC(=O)CC[C@H]1NCc1ccc(Br)o1 284399180 BBDSVGMEFNGAGQ-QMTHXVAHSA-N 353.220 1.885 0 50 FDAA CN(Cc1nc2ccccc2[nH]1)c1cc([C@H]2CCOC2)nc(NCCO)n1 426513570 GGMRKTGPMDLNRF-ZDUSSCGKSA-N 368.441 1.897 0 50 FDAA O=C1OCC2(CCN(C(=O)NC3CCN(Cc4cccnc4)CC3)CC2)O1 426746098 MPTRYWVIHCUCRS-UHFFFAOYSA-N 374.441 1.757 0 50 FDAA CCN1CCC[C@H]1CN(C)C(=O)Cn1nc(-c2ccccc2)ccc1=O 176995154 VDGXXFBJLSXKHI-KRWDZBQOSA-N 354.454 1.853 0 50 FDAA O=C(Cn1ccccc1=O)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 91391254 JPCHPNJMCWOGLC-FQEVSTJZSA-N 357.454 1.490 0 50 FDAA O=C(O)c1cccc([C@@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)c1 95392162 MQXUSFPRWMGYDK-OAHLLOKOSA-N 354.428 1.141 0 50 FDAA CN(Cc1nc(-c2ccccc2)no1)C(=O)Cn1ncn2cccc2c1=O 95525445 FWYPEBCODABUHC-UHFFFAOYSA-N 364.365 1.205 0 50 FDAA O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)OCC(=O)c1cccs1 239248089 YAISYCFMNVFTIF-YCBBYDHLSA-N 371.414 1.527 0 50 FDAA CN1CCN(C(=O)c2cccc(NC(=O)NCc3ccccn3)c2)CC1 96154019 AEYSGEFBWNGCLM-UHFFFAOYSA-N 353.426 1.791 0 50 FDAA CS(=O)(=O)CCN1CCC(NC(=O)C[C@@H]2CCc3ccccc32)CC1 91724411 DMBYUDGJJZCWJX-INIZCTEOSA-N 364.511 1.732 0 50 FDAA Cc1nc(N(C)C)ncc1C(=O)N1CCCC[C@H]1CCN1CCCC1=O 91621103 NYHRTSJNGLUQCH-HNNXBMFYSA-N 359.474 1.858 0 50 FDAA CC(C)Cc1noc(CN(C)C(=O)CN2C(=O)COc3cccnc32)n1 95526172 CAWXIATZRAMKKO-UHFFFAOYSA-N 359.386 1.047 0 50 FDAA Cc1nn(C)c(C)c1NC(=O)N(CCN1CCOCC1)Cc1ccco1 96135928 RDSQPTIOPDQHKT-UHFFFAOYSA-N 361.446 1.996 0 50 FDAA COCC(=O)N1C[C@@H]2CN(Cc3ccc(CC(C)C)cc3)C[C@]2(C(=O)O)C1 96180781 RYOCQNUSXFLVDO-RXVVDRJESA-N 374.481 1.877 0 50 FDAA Cc1cc(C(=O)N[C@H]2C[C@H](c3nnc(CO)n3C)C2)cc2sc(N)nc12 243885777 ACFDRYWIQNZLEP-HOMQSWHASA-N 372.454 1.484 0 50 FDAA CC(C)N1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCSC[C@H]32)C1=O 247978243 GIRIPXULADFCFG-KBXCAEBGSA-N 359.451 1.638 0 50 FDAA COCC(=O)N1CCCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1 244884104 YFJKQJXIBLXILH-UHFFFAOYSA-N 359.470 1.998 0 50 FDAA NC(=O)[C@H]1CCCN1C(=O)c1cc(OC(F)F)cc(OC(F)F)c1 180338893 SZUPKRBPNLVTBS-SNVBAGLBSA-N 350.268 1.979 0 50 FDAA O=C1N[C@@H](C(F)(F)F)CC[C@@H]1C(=O)N1CCN(Cc2ccco2)CC1 298326418 NKJIDHJEGWMVKP-QWHCGFSZSA-N 359.348 1.381 0 50 FDAA O=S(=O)(c1cccc2cnccc12)N1CCC[C@@H](Cn2cncn2)C1 180972641 UCPIEBGOTLDJPB-AWEZNQCLSA-N 357.439 1.927 0 50 FDAA Cc1ccc(CN2CCN(C(=O)NCc3cc(O)ncn3)[C@@H](C)C2=O)cc1 534632194 DYUVFGYDGCTUGO-AWEZNQCLSA-N 369.425 1.433 0 50 FDAA CCN(Cc1nc(COC)no1)C(=O)N[C@@H](c1ncnn1C)C(C)C 534655962 XYBPVYVKIRIESE-CYBMUJFWSA-N 351.411 1.273 0 50 FDAA CCn1ncnc1[C@@H](C)NC(=O)N1CCN(CCc2ccccc2)C(=O)C1 534640052 NLLGUDGOANDKIN-OAHLLOKOSA-N 370.457 1.456 0 50 FDAA CCCc1ccc(OCCNC(=O)N2CCN(C(C)=O)C[C@H](O)C2)cc1 534631076 XJINFTQPEUKVQK-KRWDZBQOSA-N 363.458 1.253 0 50 FDAA CC(C)c1ccc(CCCNC(=O)N2CCN3C(=O)CNC(=O)[C@H]3C2)cc1 534654280 LZEZEKUSVRCTDB-QGZVFWFLSA-N 372.469 1.095 0 50 FDAA O=C(NCc1ccccc1Cn1cccn1)[C@@H]1CCCCn2nnnc21 299782335 FZGYZHSMQRHJKN-MRXNPFEDSA-N 351.414 1.502 0 50 FDAA CNS(=O)(=O)CCNC(=O)Nc1cccc(CN2CCCC[C@@H]2C)c1 299785949 SHDMFJZVQXDBJX-AWEZNQCLSA-N 368.503 1.732 0 50 FDAA COCCNC(=O)c1cccc(NC(=O)NCc2cnn(C)c2C)c1C 299790741 BQRHTDNJXOFOMI-UHFFFAOYSA-N 359.430 1.735 0 50 FDAA Cc1nc(CCNC(=O)[C@H]2OCC(=O)N(C(C)C)[C@@H]2c2ccccc2)n[nH]1 1940193604 LPVWVPCXBPVFRW-MSOLQXFVSA-N 371.441 1.149 0 50 FDAA COc1ccc2c(C(=O)N3CCN([C@H]4CCNC4)CC3)cc(C)nc2c1 299771113 SMPVQSCRPVZYHX-HNNXBMFYSA-N 354.454 1.672 0 50 FDAA O=C(NC1CCN(C(=O)N2CCCCC2)CC1)c1cccn2cnnc12 299786406 TVTAXWMARFSAPL-UHFFFAOYSA-N 356.430 1.529 0 50 FDAA O=C(CCCc1cn[nH]c1)NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 670468805 JPJKGHXPJPZBRV-BXXOZEPKSA-N 355.446 1.583 0 50 FDAA CC(C)N1CCNC(=O)[C@@H]1CC(=O)Nc1ccc(CC(=O)NC2CC2)cc1 952976126 HSNFLMLXHCLROQ-KRWDZBQOSA-N 372.469 1.045 0 50 FDAA CN1CCC(Oc2ccc(NC(=O)[C@H]3CCCN(CC(N)=O)C3)cc2)CC1 952978181 BBUBDLYJRCYEOP-HNNXBMFYSA-N 374.485 1.295 0 50 FDAA COC[C@@H]1CCCN1S(=O)(=O)N1CC(Oc2cccc(OC)c2)C1 952990539 VVOIUWXHHOIDNG-ZDUSSCGKSA-N 356.444 1.114 0 50 FDAA CCCCN1CCn2nc(CNC(=O)N[C@H]3COCC[C@@H]3OC)cc2C1 1565512302 DYEWILNXKUZIES-IRXDYDNUSA-N 365.478 1.102 0 50 FDAA Cc1nc(CN2CC[C@H](NC(=O)c3n[nH]c(C)c3Cl)[C@@H](O)C2)cs1 1565525599 RSAXRWUCVVYAOT-RYUDHWBXSA-N 369.878 1.502 0 50 FDAA CCn1c(O)nc2cc(C(=O)N3CC[C@H](c4cc(O)nc(O)n4)C3)ccc21 1469715096 CCERBOZFBQSXBA-NSHDSACASA-N 369.381 1.593 0 50 FDAA CCc1cc(NC2CCN(S(=O)(=O)C3CC3)CC2)n2ncnc2n1 301537897 BAEFJDNOBVCPNH-UHFFFAOYSA-N 350.448 1.055 0 50 FDAA C[C@@H]1CN(C(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)C[C@H]1CO 170090458 JOZSXONOXOTBNV-JMSVASOKSA-N 352.456 1.098 0 50 FDAA O=C(NC[C@H]1CCCN(CCn2ccnc2)C1)c1cnc(C2CC2)nc1 1506403383 QXXLZYQMKHZSRN-OAHLLOKOSA-N 354.458 1.693 0 50 FDAA N#Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3CCCCO)C2)cn1 215236307 UHNQIGFVYVNJIQ-WBVHZDCISA-N 356.426 1.179 0 50 FDAA COc1ccc2c(c1)c(C(=O)N1C[C@H]3COC[C@@H](C1)CN3C)c(C)n2C 1704313185 GPNJUWCWSSPKRR-CABCVRRESA-N 357.454 1.898 0 50 FDAA Cn1nc(-c2ccccc2)cc1C(=O)N1CC[C@@]2(C(=O)O)CCCN[C@@H]2C1 1704343136 TZNUTBGNOMYGEV-XLIONFOSSA-N 368.437 1.756 0 50 FDAA Cc1nnc(CN2CCCN(C(=O)c3nn(C)cc3Cl)CC2)s1 1704354432 DZJODWSBONJJMV-UHFFFAOYSA-N 354.867 1.582 0 50 FDAA Cc1ccc(CN(C)CC(=O)N2C[C@@H](O)[C@H](Cc3cnccn3)C2)cc1 1704331311 LUKVVIOXZWLBBR-IEBWSBKVSA-N 354.454 1.279 0 50 FDAA Cc1nn(C)cc1CN1C[C@@H]2COC[C@H](C1)N(c1ccc(C(=O)O)cn1)C2 1772712574 UVWADIMXHMWBCP-YOEHRIQHSA-N 371.441 1.159 0 50 FDAA CN(C)[C@@H]1CCN(C(=O)[C@H]2CNC[C@@H](COc3ccc4c(c3)CCC4)C2)C1 14732231 FVWZFJBUNRTOJZ-PWIZWCRZSA-N 371.525 1.942 0 50 FDAA CNC(=O)Cc1nc(-c2cnc(C)cc2C)n(-c2ccc3c(c2)OCO3)n1 1857682010 LXMOTNNRTKPOPV-UHFFFAOYSA-N 365.393 1.963 0 50 FDAA Cn1cncc1C(=O)N1CCC2(CC1)OCCc1cc(C(=O)O)sc12 1857682251 HJISHGCGHRBEIB-UHFFFAOYSA-N 361.423 1.884 0 50 FDAA COc1ccc2oc(N3CCC[C@@H](CC(=O)NCc4nc[nH]n4)C3)nc2c1 1857698276 JQGWFQSYIHUMGW-LBPRGKRZSA-N 370.413 1.877 0 50 FDAA COC(=O)[C@@]1(C(C)C)N[C@@H](c2ccnc(C(C)C)n2)[C@H]2C(=O)N(C)C(=O)[C@H]21 209948985 XFNLQWNLRFKSHN-MNUAXYBXSA-N 374.441 1.043 0 50 FDAA O=C(NCCO)c1cn([C@H]2CCCN(CCCc3ccccc3)C2)nn1 15003107 RYSKPTXMSRKTLC-KRWDZBQOSA-N 357.458 1.270 0 50 FDAA Cc1cccc2nc(C(=O)N3C[C@@H]4CC[C@H]3CN(CC(=O)N(C)C)C4)cn12 247980416 JKVQSTBLQMBOHU-CVEARBPZSA-N 369.469 1.267 0 50 FDAA CN1CCO[C@H](C(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)C1 154036328 MHLHFDNHUPEEMH-LBPRGKRZSA-N 362.257 1.993 0 50 FDAA CC(C)(C)S(=O)(=O)CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 158088121 KYQVLPAZUGBRDS-UHFFFAOYSA-N 366.483 1.621 0 50 FDAA CCN1CC[C@@]2(CO)CCCN(C(=O)c3cccc4c3OCCO4)[C@@H]2C1 1704328045 WUWLTOQEWDAPRM-YLJYHZDGSA-N 360.454 1.767 0 50 FDAA Cc1c(Cl)ccc(S(=O)(=O)N2CC[C@@H](O)[C@@H](C(=O)O)C2)c1Cl 1704329985 FALYLEKIJVTADJ-WCBMZHEXSA-N 368.238 1.758 0 50 FDAA CC(C)CCn1cc([C@@H]2CCCN2C(=O)CCn2ccc(O)nc2=O)nn1 1875358323 RENNRDBGNUWXDJ-HNNXBMFYSA-N 374.445 1.340 0 50 FDAA Cc1nn(C)c(Cl)c1CN1CC[C@@H](NC(=O)c2cc[nH]n2)C[C@@H]1C 1875328321 LGIBABPVJJAXKR-CMPLNLGQSA-N 350.854 1.888 0 50 FDAA C[C@H]1C[C@@H](C)C[C@H](S(=O)(=O)NS(=O)(=O)CCCn2cccn2)C1 1875335425 IGBAGZLQVZDSBU-WDNDVIMCSA-N 363.505 1.347 0 50 FDAA C[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2N1c1ncnc(Cl)c1F 1875405615 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2356153956 BSIMKWPHXGIXLJ-DLBZAZTESA-N 359.470 1.433 0 50 FDAA CCOc1ccccc1CN1CCN(c2cc(C)nc(N)n2)C[C@H]1CCO 106946168 MITFGEJBNRYJNB-QGZVFWFLSA-N 371.485 1.839 0 50 FDAA CN1C(=O)COc2ccc(S(=O)(=O)N3CC(=O)Nc4ccccc43)cc21 8783055 CNELORLDJWBFML-UHFFFAOYSA-N 373.390 1.189 0 50 FDAA CC(C)c1cc(=O)[nH]c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 8914291 TZTBTDSZZXSCDR-UHFFFAOYSA-N 356.426 1.944 0 50 FDAA CC(=O)Nc1cccc(NC(=O)CN2CCS(=O)(=O)CC2(C)C)c1 225410273 XOUABVCEIVDGBF-UHFFFAOYSA-N 353.444 1.093 0 50 FDAA COc1ccc(F)cc1[C@@H](C(=O)O)N1CCN(Cc2noc(C)n2)CC1 55132301 GRRWFCWJIQWLRA-INIZCTEOSA-N 364.377 1.469 0 50 FDAA COc1cccc2c1OC[C@@H](C(=O)Nc1c(C)nn(CC(=O)O)c1C)C2 55393135 XHFYFXBMKMHNOE-ZDUSSCGKSA-N 359.382 1.783 0 50 FDAA Cc1cc2[nH]c(CN3CCC4(CC3)CC(=O)N(CC(C)C)C4)cc(=O)n2n1 102606056 JTAYYTHLERYXOV-UHFFFAOYSA-N 371.485 1.802 0 50 FDAA C[C@H](c1ccncn1)N(C)Cc1ccc(OCC(=O)N2CCOCC2)cc1 55270198 XYXKGCXOCDHEQJ-MRXNPFEDSA-N 370.453 1.907 0 50 FDAA Cc1cccc([C@@H](C(=O)NCc2cccnc2-n2cncn2)N(C)C)c1 65504839 GLSVZLSULATGIC-KRWDZBQOSA-N 350.426 1.890 0 50 FDAA C[C@H](C(=O)NC1CCN(C)CC1)N(c1cccc(F)c1)S(C)(=O)=O 67602087 AVUAYBMUEUYWKT-GFCCVEGCSA-N 357.451 1.191 0 50 FDAA COc1ccc(Cl)cc1C(=O)N1CCc2c(nc(N(C)C)[nH]c2=O)C1 71759555 FEKWKOBVFUBGAP-UHFFFAOYSA-N 362.817 1.696 0 50 FDAA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1c[nH]c3cc(Cl)ccc3c1=O)C2 71767951 NNPVZWYTUGTAPK-UHFFFAOYSA-N 370.796 1.772 0 50 FDAA COc1cccc(CN2CCC[C@](O)(CNCC(F)F)C2=O)c1OC 67673022 WDYFRNLDTUCOJG-KRWDZBQOSA-N 358.385 1.412 0 50 FDAA COC(=O)c1cc2n(n1)CCN(C(=O)CC(=O)Nc1ccc(C)cc1)C2 65420362 MZQJYUYAWSNFJY-UHFFFAOYSA-N 356.382 1.349 0 50 FDAA Cc1cc(C)n(CC(=O)NCCc2nccc(-c3ccccc3)n2)c(=O)n1 219621859 RJHQJSROXPVDBK-UHFFFAOYSA-N 363.421 1.676 0 50 FDAA COc1ccc(F)c(CN2CCC[C@](O)(CNCc3ccon3)C2=O)c1 67694769 JLEXLVIFNJCVTA-SFHVURJKSA-N 363.389 1.466 0 50 FDAA O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCCC2(CCNCC2)CC1 67672882 GJGLNLYHSFKEPK-UHFFFAOYSA-N 356.426 1.212 0 50 FDAA Cc1nn(C)c(-n2ccnc2C)c1C(=O)N1CCOCC2(CCOCC2)C1 330010905 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CC(C)(C)N1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCc4ncccc4C2)[C@@H]3C1=O 77516156 YVOANQPBJORZRL-OPOADAIRSA-N 367.449 1.547 0 50 FDAA Cc1cc(N[C@@H]2CCCN(Cc3ccnc(C)n3)C2=O)nc(C2CC2)n1 364664059 YEOVTBDRJNDUGD-MRXNPFEDSA-N 352.442 2.364 0 50 FDAA COc1cccc2ccc(CN3CCN(CCS(C)(=O)=O)CC3)nc12 216378851 NTXHFYWDHUMENR-UHFFFAOYSA-N 363.483 1.406 0 50 FDAA COCc1cc(CN2CCN(CC(=O)N3CCCC3)CC2)ccc1OC 215759439 YKJQOXSYOGZSSW-UHFFFAOYSA-N 361.486 1.582 0 50 FDAA COc1cc(N2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)ncn1 71762922 XQIQHEXLERLRNO-INIZCTEOSA-N 373.501 1.788 0 50 FDAA O=C([C@H]1NCCc2[nH]cnc21)N1Cc2cnn(Cc3ccc(F)cc3)c2C1 72473802 XZIAGZVOPIERII-SFHVURJKSA-N 366.400 1.523 0 50 FDAA CC(C)c1ccc(NC(=O)CN2C(=O)c3cccnc3S2(=O)=O)cc1 241739117 RADWXUIKKVFUJR-UHFFFAOYSA-N 359.407 1.988 0 50 FDAA CCC[C@@H]1CCc2c(sc(=O)n2CC(=O)N2CCC[C@H](C(N)=O)C2)C1 131591949 UHVXDYNNOHKULI-OLZOCXBDSA-N 365.499 1.539 0 50 FDAA CC(C)c1nnnn1CC(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1 373753063 PWLCRYZDVPVZAG-YOEHRIQHSA-N 356.430 1.132 0 50 FDAA OC1CCN(C[C@H](O)COc2cccc(CN3CCCCO3)c2)CC1 14950173 CWYVHNDFDPEDEH-SFHVURJKSA-N 350.459 1.410 0 50 FDAA C[C@@H]1Cc2cc(S(=O)(=O)N3C[C@@H](C)O[C@]4(CCOC4)C3)ccc2O1 280947848 JZESFWCOZFEVFU-PBFPGSCMSA-N 353.440 1.579 0 50 FDAA CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCN(c2cccc(OC)c2)C(=O)C1 82114335 ZAKRYXQUZNBNNA-SJORKVTESA-N 373.453 1.423 0 50 FDAA Cc1ccc(S(=O)(=O)N[C@H](c2cnn(C)c2)C2CC(O)C2)cc1F 222434823 NBFCZVLRZIFZEF-TZDAIYRESA-N 353.419 1.658 0 50 FDAA COC(=O)[C@@H]1CCN2C(=O)N(c3ccc(N4CCCCC4)nc3)C(=O)[C@H]2C1 286154194 YTLAJZZAEAOMRU-UKRRQHHQSA-N 372.425 1.792 0 50 FDAA Cc1nc(C)c(CC(=O)NCCCc2nc3ccccc3n2C)c(=O)[nH]1 135140011 DYWVIPOPKXKMJW-UHFFFAOYSA-N 353.426 1.565 0 50 FDAA Cc1nn(C)cc1S(=O)(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 286571876 FCANPNRJGVQJQI-IKGGRYGDSA-N 361.467 1.922 0 50 FDAA CC[C@H](NS(=O)(=O)c1cc(-n2cccn2)ccc1OC)C1CC(O)C1 220556939 GOCCZKVDZDBBEX-ZALBZXLWSA-N 365.455 1.709 0 50 FDAA CCOc1ccc(C(=O)N[C@@H]2CCN(Cc3c(C)noc3C)C[C@H]2O)o1 426647441 ZMLJXUQPOUFBPM-HUUCEWRRSA-N 363.414 1.648 0 50 FDAA O=C(Cn1ccc([C@@H]2CCCNC2)n1)N1CCN(c2ccncc2)CC1 426358295 KEGCLYMQSOOGQV-MRXNPFEDSA-N 354.458 1.094 0 50 FDAA Cc1noc(CN2CCC(c3nnc(Cn4ccnc4C)n3C)CC2)n1 96167077 ODIANJMLIZUKJP-UHFFFAOYSA-N 356.434 1.439 0 50 FDAA Cc1cc(C(F)(F)F)nn1CCNC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 92096898 GBZIOROHOHZIQV-NSHDSACASA-N 360.380 1.974 0 50 FDAA O=C1C[C@H](C(=O)N2CCCN(C3CCCC3)CC2)CN1Cc1ccncc1 95364440 XFQFVBCWJQQJOD-SFHVURJKSA-N 370.497 1.907 0 50 FDAA CNC(=O)C(C)(C)CNC(=O)NC1CCN(c2ccccc2OC)CC1 178932729 BFXCMJWPUCWMRS-UHFFFAOYSA-N 362.474 1.735 0 50 FDAA NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCN(c3ccccn3)C2)cc1 97713551 SNXLQSOVEAUHHT-OAHLLOKOSA-N 374.466 1.262 0 50 FDAA COc1cc(N2CCC(c3nccn3CCCN(C)C)CC2)nc(N)n1 95384094 XXCWKWJQAVUJAV-UHFFFAOYSA-N 359.478 1.600 0 50 FDAA CCn1c(Cn2cncn2)nnc1C1CCN(Cc2cn(C)nc2C)CC1 91468515 DTELCNCRKGSCSI-UHFFFAOYSA-N 369.477 1.359 0 50 FDAA Cc1ccc(C(=O)N(C)C2CCS(=O)(=O)CC2)cc1N1CCNC1=O 91724530 LZCCSVLKUGEFDK-UHFFFAOYSA-N 365.455 1.174 0 50 FDAA O=C1CC[C@@H](C(=O)NCc2csc(-c3cccs3)n2)NC(=O)N1 97528078 CQTVXNZLOVOLQU-VIFPVBQESA-N 350.425 1.476 0 50 FDAA Cn1cnc2cc(C(=O)N[C@H](Cn3ccnc3)C(C)(C)C)ccc2c1=O 97347400 CQCAHFGMYVOHNI-MRXNPFEDSA-N 353.426 1.975 0 50 FDAA COc1ccc2c(C)c(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)O)oc2c1 95530812 QSCSZXXUGCFLED-LBPRGKRZSA-N 369.395 1.368 0 50 FDAA COc1nnc(CN2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)s1 91526443 GIWVQDSJQFENMF-CMPLNLGQSA-N 365.484 1.626 0 50 FDAA CC(=O)N[C@H]1C[C@H](c2nnc(CN3CCCn4nc(C)cc4C3)n2C)C1 244778618 PTUBDVOEBJUJCN-SHTZXODSSA-N 357.462 1.108 0 50 FDAA C[C@H]1CN(C(=O)c2sc3ccccc3c2CS(C)(=O)=O)CCN1 299740153 WHPPVSGTSALVOH-NSHDSACASA-N 352.481 1.880 0 50 FDAA CCc1[nH]nc2c1CN(C(=O)c1ccc(-c3ccc(=O)n(C)n3)cc1)CC2 534650110 GQBWMXZWKRFWBB-UHFFFAOYSA-N 363.421 1.931 0 50 FDAA CCN1CCN(C(C)(C)CNC(=O)N2CCC[C@H]2Cn2cccn2)CC1 534670855 GKABMZKQIHPTDV-KRWDZBQOSA-N 362.522 1.473 0 50 FDAA CN=c1cc(-c2ccc(C(=O)NCCn3cnc(C)c3C)cc2)nc(N)[nH]1 534577762 BAOJQAFZRIZVRV-UHFFFAOYSA-N 365.441 1.433 0 50 FDAA COc1ccc(S(=O)(=O)N2CC[C@]3(OC)CC[C@H](O)C[C@H]23)cc1C 299778022 PBKGNNFNAKGUPT-RRQGHBQHSA-N 355.456 1.697 0 50 FDAA O=C(CSc1ccccn1)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 299755942 GLGYZCUMSCRPIK-KRXQYRFLSA-N 364.467 1.189 0 50 FDAA CCc1noc(C)c1C(=O)N1CCCN(S(=O)(=O)N2CCCC2)CC1 299789595 XWJFPDPLCHZJAG-UHFFFAOYSA-N 370.475 1.034 0 50 FDAA CCC1=NO[C@@H](CNC(=O)c2cccc(-c3nc(N(C)C)n(C)n3)c2)C1 299767060 BSUVVEZUUFINBY-OAHLLOKOSA-N 356.430 1.833 0 50 FDAA CNC(=O)C[C@@H]1c2c(c(Br)c3c(c2OC)OCO3)CCN1C 823819875 OBAKWOQEFKIBDM-SECBINFHSA-N 371.231 1.852 0 50 FDAA biogenic O=C(NCc1ccc2nc(O)[nH]c2c1)[C@H](c1cccnc1)N1CCOCC1 827654415 CKAMFNLTKHAFPE-KRWDZBQOSA-N 367.409 1.353 0 50 FDAA Cc1nccn1CCN(C)C(=O)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 584895225 LUJWNUOOKBVVTR-HNNXBMFYSA-N 359.405 1.778 0 50 FDAA O=C(O)C[C@@H]1CN(Cc2ccc(C(F)(F)F)nc2)C[C@@H]1c1cnn[nH]1 1076046539 BVUONDQZQURVDJ-MNOVXSKESA-N 355.320 1.909 0 50 FDAA Cc1cnc(C)c(N2CCN(C(=O)c3nc(N)nc4c3CCCC4)CC2)n1 952989005 BMUWQEQZZGOQFY-UHFFFAOYSA-N 367.457 1.307 0 50 FDAA CC[C@H]1[C@H](NC(=O)c2ccccc2N2CCC(=O)NC2=O)[C@H]2CCO[C@@H]12 1565527318 VTADRYQBBOFWQX-LPOXYFBYSA-N 357.410 1.676 0 50 FDAA COc1ccc2c(c1)OC[C@@]1(C(=O)O)CN(CCc3nccn3C)C[C@@H]21 1565528207 NMWGDQHXGXCXGP-KXBFYZLASA-N 357.410 1.534 0 50 FDAA C[C@@H](CC(=O)N1CCO[C@H](CN(C)CC(=O)O)C1)Cc1cccc(F)c1 275707663 NWWDSTCQOBPRNS-RHSMWYFYSA-N 366.433 1.638 0 50 FDAA O[C@@H](CNc1cc(N2CCOCC2)ncn1)COc1ccc(F)c(F)c1 277658045 YYVQBTULIAVXGO-LBPRGKRZSA-N 366.368 1.443 0 50 FDAA CN(Cc1ccccc1)c1ccc(NC(=O)C(=O)NC2(C(N)=O)CC2)cc1 170617164 GKLDBOVYCMRLEM-UHFFFAOYSA-N 366.421 1.396 0 50 FDAA COc1cccc([C@@H]2CCN(C(=O)Cc3cc(O)nnc3O)C2)c1OC 1506403543 UFVJQCFMOLWVKY-LLVKDONJSA-N 359.382 1.464 0 50 FDAA CC(C)N(Cc1cnn(C)c1)C(=O)c1ccc(N(C)S(C)(=O)=O)cc1 1506417534 NDPQPRBGBGZODL-UHFFFAOYSA-N 364.471 1.867 0 50 FDAA Cc1ccc(N2CC[C@H]3[C@H](CCC(=O)N3CCCn3ccnc3)C2)nn1 216853332 QMGHKQRPDCENNC-SJORKVTESA-N 354.458 1.889 0 50 FDAA Cc1nonc1CC(=O)N1CCCN(C(=O)C[C@@H](C)n2ccnc2C)CC1 1529192330 TUFIDCYSELTARS-CYBMUJFWSA-N 374.445 1.138 0 50 FDAA O=C(c1cccnc1N1C[C@@H](O)[C@H](Cc2ccncc2)C1)N1CCCC1 1704327776 GGTAMIQGJJCIGD-SJLPKXTDSA-N 352.438 1.752 0 50 FDAA O=C(CN1C[C@@H](O)[C@H](Cc2cnccn2)C1)NCCc1ccc(Cl)cc1 1704297301 LSHXNGWVUIVRLB-CRAIPNDOSA-N 374.872 1.324 0 50 FDAA CCc1cnc(C)nc1N1C[C@H]2COC[C@@H]1CN(Cc1nccn1C)C2 1772705417 SLRAOGXHPLHBTD-RDJZCZTQSA-N 356.474 1.418 0 50 FDAA COc1ccccc1C(=O)N1C[C@H]2CN(C(=O)c3ccc[nH]3)C[C@@]2(CO)C1 1772709392 PNVGQQYSEDINSQ-VBKZILBWSA-N 369.421 1.230 0 50 FDAA COC(=O)CN(C)Cc1ccc(OC)c(OC[C@H](O)CN(C)C(C)C)c1 11662931 VUWJSSRBQIFIQQ-MRXNPFEDSA-N 368.474 1.380 0 50 FDAA COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCc1cccnc1 11874797 QABZYTMMASSWIA-QGZVFWFLSA-N 368.437 1.097 0 50 FDAA Cc1ccc(-c2nnc(CCC(=O)NCCCN3CCOCC3)o2)s1 19837198 LGNYUTMYOMQARF-UHFFFAOYSA-N 364.471 1.878 0 50 FDAA N[C@H]1C[C@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C[C@@H]1O 1857717284 PKHMXHWGWFOHAM-CQDKDKBSSA-N 357.376 1.452 0 50 FDAA Cc1cc(C)n2nc(C)c(C(=O)N3CC[C@@]45OCCCN4C(=O)C[C@@H]35)c2n1 1857733651 SOYJFFCIZYSTGB-KUHUBIRLSA-N 369.425 1.218 0 50 FDAA O=C(N[C@H]1CCN(Cc2ccc(-c3ccn[nH]3)o2)C[C@@H]1O)c1ccccn1 212823647 CSGYURSCIHIKCB-YOEHRIQHSA-N 367.409 1.430 0 50 FDAA Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CCO[C@H]2CCN(C)C[C@H]21 329015596 JXBVCHMFABBVJE-CABCVRRESA-N 374.407 1.536 0 50 FDAA C[C@H]1CN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)C[C@H](C)N1 153273369 NVVYDVFJQURKBD-RYUDHWBXSA-N 371.890 1.702 0 50 FDAA O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)N1CCC[C@H](c2ncc[nH]2)C1 264809563 SJMOVSQFZDYPNG-QWRGUYRKSA-N 359.352 1.462 0 50 FDAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3nnc4n3CCCC4)C1)CC2 1704311261 BOQIFQLCAVCCDL-LJQANCHMSA-N 352.442 1.833 0 50 FDAA Cn1nccc1CCC(=O)N1CCC[C@@](O)(Cc2nc(C3CC3)no2)C1 818496378 MQWHBZAWZJIUKJ-GOSISDBHSA-N 359.430 1.209 0 50 FDAA O=C(c1cnc(-c2ccccn2)nc1)N1CCC[C@H]1CN1CCOCC1 933660138 NKSYFHOWOGMUBF-INIZCTEOSA-N 353.426 1.475 0 50 FDAA CC(=O)NC[C@H]1C[C@H](c2nnc(N(C)Cc3ccccc3)n2C)C[C@H]1O 952847989 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CN1CCc2ccc(-c3nc(C4CCOCC4)nn3-c3nc[nH]n3)nc21 2100482526 GGPAEPPUMYNJON-UHFFFAOYSA-N 352.402 1.334 0 50 FDAA O=C1N[C@@H](Cc2nccs2)C(=O)N[C@H]1Cc1ccc(C(F)F)cc1 2325787708 QOPLEDUMYKGJKT-RYUDHWBXSA-N 351.378 1.849 0 50 FDAA CCCCn1c(N)c(N(CC)C(=O)[C@@]2(F)CCO[C@@H]2C)c(O)nc1=O 2325824219 UYRXSSQQHZBWRY-QLJPJBMISA-N 356.398 1.201 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)Oc3ccccc3)CC2)C1 2325888656 NZIMHBBLKYWTHS-INIZCTEOSA-N 371.437 1.754 0 50 FDAA C=CC(=O)Nc1cccc(C(=O)N[C@@]2(C(N)=O)CCOc3ccccc32)c1 2325888923 OLRPZKQYNSFLEI-FQEVSTJZSA-N 365.389 1.704 0 50 FDAA CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1 669336 IFINTIYSNQGZQD-ZIAGYGMSSA-N 366.395 1.117 0 50 FDAA CN1C[C@H]2C[C@@H](N(C)S(=O)(=O)c3ccc4c(c3)CCO4)C[C@H]2CC1=O 2356144728 KGQHICQHQXYNRH-ZNMIVQPWSA-N 364.467 1.499 0 50 FDAA Cn1cnc(C(=O)N2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)c1 2356149707 RWBVFRGKCJILPH-DOXZYTNZSA-N 360.458 1.321 0 50 FDAA Cc1nn[nH]c1C(=O)N1CCC[C@@]12CCCN(Cc1ccccn1)C2=O 2356166485 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FDAA Cc1ccc([C@@H](C)NC(=O)CNCc2ccc(S(N)(=O)=O)cc2)cc1 65387923 QMLAJFRRIHUONV-CQSZACIVSA-N 361.467 1.609 0 50 FDAA O=C1CCCN1CC[C@@H]1CCCCN1Cc1nc(-c2cnccn2)no1 11998472 UCEHHUCHGBDZFB-AWEZNQCLSA-N 356.430 1.894 0 50 FDAA Cc1nn(CCCNS(=O)(=O)c2cnn(C)c2)cc1Br 2803869 GOXRMWPCBXTUSZ-UHFFFAOYSA-N 362.253 1.056 0 50 FDAA CCc1nc(C)c([C@H]2CN(C)C[C@@H]2C(=O)NCc2cnn3cccnc23)[nH]1 72145853 XXPKAAOFMCULEV-GJZGRUSLSA-N 367.457 1.285 0 50 FDAA CC(=O)NCCC(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 72161041 HKKUUSWPXIHAHK-DFQSSKMNSA-N 357.454 1.307 0 50 FDAA NC(=O)c1ccnc(N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1 71748744 ZRFRQRUOPGSPII-OAHLLOKOSA-N 371.485 1.140 0 50 FDAA O=C(c1cnc[nH]c1=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 72436482 ITFCILODTQGZDX-UHFFFAOYSA-N 367.327 1.913 0 50 FDAA CCN1CCC[C@@H](CN(C)C(=O)[C@]2(O)CCSC2)[C@@H]1c1cnn(C)c1 328617646 CYTDMJXFYWHTTQ-LESCRADOSA-N 366.531 1.520 0 50 FDAA CN1CC2(CCNCC2)C[C@@H]1C(=O)N1CCc2n[nH]c(C3CCC3)c2C1 72479428 QGHPQGJAINWTGV-QGZVFWFLSA-N 357.502 1.636 0 50 FDAA NC(=O)c1ccc(-c2nc(O)c3c(n2)CN(C[C@H]2CCOC2)CC3)cc1 71661764 WJFIKNBKMFNAOE-GFCCVEGCSA-N 354.410 1.343 0 50 FDAA CN(C)Cc1nnc([C@H]2CCCN(C(=O)c3cccc(N(C)C)c3)C2)n1C 72406834 UFHCKWHYNALIBE-INIZCTEOSA-N 370.501 1.963 0 50 FDAA COC(=O)CNC(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 77408159 MEUVYSOBGYBKBM-IBGZPJMESA-N 374.441 1.169 0 50 FDAA CC(C)CN1CCN(C(=O)c2cnc(-c3cccnc3)nc2)[C@@H](C)C1=O 77454302 XLEKXPDKYQYDFX-AWEZNQCLSA-N 353.426 1.868 0 50 FDAA O=C1CN(C(=O)NCc2cccc(-n3ccnc3)c2)[C@H]2CCCC[C@@H]2N1 332991037 AQYZWLHJZIOFMG-IRXDYDNUSA-N 353.426 1.825 0 50 FDAA Cc1nc(N)nc(C)c1CC(=O)N(C)Cc1nc(-c2cccnc2)no1 77537142 CKECZRVOCUBFKQ-UHFFFAOYSA-N 353.386 1.322 0 50 FDAA COc1ccc(N2C[C@H](C(=O)N(C)C[C@@H](C)C(=O)O)CC2=O)c(OC)c1 281355274 OYFLYDKSFDTMJR-VXGBXAGGSA-N 364.398 1.236 0 50 FDAA CN(CC(=O)NCc1csc(N2CCOCC2)n1)Cc1ccccn1 222574973 ZYHABNYUVSVVTO-UHFFFAOYSA-N 361.471 1.123 0 50 FDAA COc1cccc(N2CCN(C(=O)[C@@H](C)n3nc(C)cc3C)CC2=O)c1 82160690 AEWTYWMAHHZFOW-OAHLLOKOSA-N 356.426 1.945 0 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Cc1cc(C)n(CCNC(=O)c2cccc(S(=O)(=O)NCCF)c2)n1 95354158 UJVMIGQWYNPQDX-UHFFFAOYSA-N 368.434 1.178 0 50 FDAA COCC1CCN(S(=O)(=O)N2C[C@H](c3ccccc3)[C@@H](N)C2)CC1 91860547 OQVIRTBJBWAMSA-SJORKVTESA-N 353.488 1.016 0 50 FDAA Cn1c(CO)nnc1[C@H]1C[C@H](Nc2ncccc2C(=O)c2nccs2)C1 244633471 GDPGDMWARBHTLV-XYPYZODXSA-N 370.438 1.748 0 50 FDAA Cc1cc(C)n2c(C(=O)NC[C@@H]3Cc4ccccc4CN3C)nnc2n1 244707839 KIMICWKBJZJMJI-INIZCTEOSA-N 350.426 1.528 0 50 FDAA CS(=O)(=O)CCNC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 299801353 WFCBYFLRTWIAOH-UHFFFAOYSA-N 372.874 1.353 0 50 FDAA COc1ccc(C)cc1NC(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C 1940196645 XOMWMMDSDKEOAW-JSGCOSHPSA-N 371.459 1.032 0 50 FDAA CCNC(=O)[C@@H]1CCCN1C(=O)CCCc1nc(-c2cccnc2)no1 299763687 PGBFIZZOWKEAFZ-AWEZNQCLSA-N 357.414 1.581 0 50 FDAA CCOc1ccccc1CN1CCn2nc(CNS(C)(=O)=O)cc2C1 299766209 GXRLOWOMVGNJCA-UHFFFAOYSA-N 364.471 1.347 0 50 FDAA COC[C@@H]1CCCN1S(=O)(=O)N1CCC(C2CCN(C)CC2)CC1 824370990 IWBPHVHJKXXLHB-KRWDZBQOSA-N 359.536 1.396 0 50 FDAA 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COC(=O)[C@@H](Cc1nccn1C)NC(=O)CCc1cc2ccccc2o1 2325781204 XBCMSJKDJMQOAR-OAHLLOKOSA-N 355.394 1.999 0 50 FDAA COC(=O)C1=C(N)OC(C)=C(C(=O)OC(C)C)[C@]12C(=O)Nc1ccccc12 850160 UEKUARIYGIPOHP-IBGZPJMESA-N 372.377 1.476 0 50 FDAA O=C(CS(=O)(=O)c1nnnn1C1CCCCC1)Nc1ccc(F)cc1 1112632 DMWDDIZMZKJRLM-UHFFFAOYSA-N 367.406 1.730 0 50 FDAA COc1ccc(CC(=O)N2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)cc1F 2356154561 AFEFMCXMWXLGDP-ZWKOTPCHSA-N 367.417 1.270 0 50 FDAA CN(C)C(=O)N1CCC[C@H](C(=O)NCCNC(=O)c2ccc(F)cc2)C1 56290538 OHRHWCQFBNOYBM-AWEZNQCLSA-N 364.421 1.065 0 50 FDAA Cc1ccc(C2(O)CCN(C(=O)c3cnc4c(c3)nnn4C)CC2)nc1 67603619 AIEXKGAJPALOOQ-UHFFFAOYSA-N 352.398 1.191 0 50 FDAA CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCCC3)c2)CC1 67601852 MCLBIUMEJDXPCI-UHFFFAOYSA-N 371.890 1.512 0 50 FDAA CN(C)c1cnn(CC(=O)N[C@H](Cn2cccn2)c2ccccc2)c(=O)c1 20999736 YLGANTZYODRVQX-QGZVFWFLSA-N 366.425 1.064 0 50 FDAA Cc1ccccc1N1CCN(c2ncccc2CNC(=O)[C@H](C)N)CC1 67908864 CDEUUKHSQXBGGN-INIZCTEOSA-N 353.470 1.680 0 50 FDAA COc1ccc2c(C)c(C(=O)N[C@@H]3CCOC[C@H]3OCC(=O)O)oc2c1 219699451 QCBGXMWXOHJZFN-UKRRQHHQSA-N 363.366 1.738 0 50 FDAA Cc1ccc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)C2CC(O)C2)c(=O)[nH]1 219911986 WTNLPNSQDBZBHL-JMLCCBQJSA-N 354.406 1.860 0 50 FDAA C[C@@H](CNC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccccc1 72437724 XGJRBKSFASPSOE-GOEBONIOSA-N 353.488 1.425 0 50 FDAA COCC(=O)N1CCCN(c2nc(C3CCCC3)nc3c2cnn3C)CC1 72173982 QQFYICYKVWKHOF-UHFFFAOYSA-N 372.473 1.706 0 50 FDAA CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)C1=NN(C)C(=O)CC1 328614511 AGTKHZXZKBERSQ-SNVBAGLBSA-N 371.363 1.531 0 50 FDAA C[C@@H]1CCC[C@H](OCc2nnc([C@H]3CN(S(C)(=O)=O)CCO3)o2)C1 328625550 DGCXSGJJUUZEEM-FRRDWIJNSA-N 359.448 1.498 0 50 FDAA Cc1ncccc1O[C@H]1CCN(S(=O)(=O)c2c(C)nn(C)c2Cl)C1 328636111 VJPURSAVAJWDRC-LBPRGKRZSA-N 370.862 1.927 0 50 FDAA CN(Cc1cc(O)nc(N)n1)[C@@H]1CCN(c2nc(C(F)(F)F)cs2)C1 328622381 BGKCOVYWCXJYOB-SECBINFHSA-N 374.392 1.950 0 50 FDAA CCCS(=O)(=O)N1CCC(c2nnc(CN3CCCCC3)n2C)CC1 77393176 KTOSMUHMMHFJSN-UHFFFAOYSA-N 369.535 1.720 0 50 FDAA Cc1c(Cl)cccc1S(=O)(=O)N1CCO[C@@]2(CNCCOC2)C1 72130992 VFDGJIQIDHBGPE-HNNXBMFYSA-N 360.863 1.028 0 50 FDAA Cc1cccc(-c2noc(CN(C)C(=O)[C@H]3NCCc4[nH]cnc43)n2)c1 72430158 QZFQRHGLXYGITI-INIZCTEOSA-N 352.398 1.614 0 50 FDAA O=C(Cn1cnc2ccccc2c1=O)Nc1nnc([C@@H]2CCCO2)s1 36359965 FREKHSUOIPSCRL-LBPRGKRZSA-N 357.395 1.738 0 50 FDAA Cc1cnc(S(C)(=O)=O)nc1C(=O)N(CC(F)(F)F)C1CCC1 332424910 HBXPMYXNLUWJIA-UHFFFAOYSA-N 351.350 1.746 0 50 FDAA Cn1c(CN2CCCC2)nnc1C1CCN(C(=O)c2ccc(N)nc2)CC1 77436775 DFULXDXDVIUYFW-UHFFFAOYSA-N 369.473 1.408 0 50 FDAA NC(=O)c1cccc(C[C@@H]2CCN(C(=O)Cn3nc4ccccc4n3)C2)c1 72166808 AVDWNGLBPGBSIQ-HNNXBMFYSA-N 363.421 1.621 0 50 FDAA CC(=O)c1cc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)c(=O)[nH]c1C 72432676 GYZZZUDWEPQJHS-UHFFFAOYSA-N 371.412 1.983 0 50 FDAA O=C1CCCN1C[C@H](O)CN1CCC(C(=O)N2CCc3ccccc32)CC1 157885370 UVXSHMSVMZIAIT-GOSISDBHSA-N 371.481 1.271 0 50 FDAA CCO[C@H]1C[C@@](NC(=O)c2ccc(-n3cnnc3)cc2)(C(=O)O)C1(C)C 262811177 ODAJQXXHAAYJNX-KBXCAEBGSA-N 358.398 1.656 0 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Cc1nccn1CC1(CNC(=O)[C@H]2CC(=O)N(Cc3ccncc3)C2)CC1 95504175 RHXRJBDBFQPMDC-KRWDZBQOSA-N 367.453 1.532 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccc[nH]2)CN1C(=O)Cc1ccccc1 96165651 SGEMBLCXFNIXHA-RDJZCZTQSA-N 368.437 1.093 0 50 FDAA CN1CCC(Oc2ccc(NC(=O)N3CCS(=O)(=O)CC3)cc2)CC1 96135915 RTIBGRIDVAGOEQ-UHFFFAOYSA-N 367.471 1.422 0 50 FDAA CCn1c(CN2CCC(Cc3nc(C)no3)CC2)nnc1[C@H]1C[C@@H](N)C1 244633193 FYSJMGXIRZAVSL-GASCZTMLSA-N 359.478 1.649 0 50 FDAA COc1ccccc1N1C[C@@H](C(=O)Nc2ccc3nncn3c2)CC1=O 179639291 ZGYDJGWPILMSKT-LBPRGKRZSA-N 351.366 1.730 0 50 FDAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2ccc(OC)c(O)c2)c1O 253623772 KNEOYBDSLXUVDG-VIFPVBQESA-N 362.338 1.001 0 50 FDAA biogenic O=C(C[C@@H]1N=C(O)N(Cc2ccco2)C1=O)N[C@@H](CO)c1ccccc1 253535804 FFMDTIPAGSTQJX-GJZGRUSLSA-N 357.366 1.144 0 50 FDAA COCC1(O)CN(S(=O)(=O)c2sc(C)cc2Br)C1 295674052 HJSPCKZELAQBEQ-UHFFFAOYSA-N 356.263 1.201 0 50 FDAA C[C@@H](CS(C)(=O)=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 182842316 HUOZNIJZIRAREC-UONOGXRCSA-N 357.495 1.661 0 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FDAA CC(=O)N1CCC(C(=O)NC[C@@H]2CCCN(C(=O)C3CC=CC3)C2)CC1 952964003 MBPGBKBIDWQWRD-INIZCTEOSA-N 361.486 1.566 0 50 FDAA CCCCS(=O)(=O)N1CCC(CNC(=O)[C@@H]2CC(C(C)C)=NO2)CC1 952868588 BBWHCOFQSQKGAP-INIZCTEOSA-N 373.519 1.745 0 50 FDAA Cc1cc(C(=O)N[C@H]2CCOC[C@@H]2OCc2c(C)noc2C)nc(C)n1 1565507407 BHISNXUBDCXCCC-RDJZCZTQSA-N 360.414 1.802 0 50 FDAA O=C(N[C@H]1CCOC[C@@H]1Oc1ccccn1)c1ccc2c(c1)OCCO2 1565516689 HGJCPMBBHKMXRG-YOEHRIQHSA-N 356.378 1.819 0 50 FDAA O=C(CCc1ccncc1)N1C[C@@H]2CN(C3CCCC3)C[C@]2(C(=O)O)C1 1565506372 MPZOYPLGLRVWGC-JXFKEZNVSA-N 357.454 1.802 0 50 FDAA NS(=O)(=O)Cc1cccc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)c1 268953255 VNFRFXJZITWARJ-SNPRPXQTSA-N 366.439 1.333 0 50 FDAA Cc1ccc(C)c(CC(=O)N2CC[C@@H](N(C)Cc3nccc(N)n3)C2)c1 276414013 LASUYXMHLQTHQR-QGZVFWFLSA-N 353.470 1.951 0 50 FDAA CCNS(=O)(=O)[C@H]1CCN(Cc2nc3ccc(OC)cc3s2)C1 187396228 DERBSSCNMWFHPB-LBPRGKRZSA-N 355.485 1.819 0 50 FDAA CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@@H](C)c2nnnn2C)CC1 189840907 KKQTUURAXZWMEU-KBPBESRZSA-N 361.469 1.903 0 50 FDAA COCCN(Cc1ccccc1F)S(=O)(=O)N1CCC[C@@H](COC)C1 1506412350 CMXZCKPCKNLFEH-OAHLLOKOSA-N 374.478 1.877 0 50 FDAA O=C1CC[C@@H](CN(Cc2ccncc2)C(=O)Cn2nc3ccccc3n2)N1 1506420863 LNZPAHVXCRHQGP-HNNXBMFYSA-N 364.409 1.134 0 50 FDAA O=C(c1n[nH]c2ccccc12)N1CC[C@H]2[C@H](CCC(=O)N2CCCO)C1 215370494 KKPVXYGXZRCSLI-CJNGLKHVSA-N 356.426 1.398 0 50 FDAA Cn1ccn2ncc(C(=O)N3CCN4[C@@H](c5ccccc5)COC[C@H]4C3)c12 1529099141 RJTMRPZFTMOUOM-SJLPKXTDSA-N 365.437 1.571 0 50 FDAA CCOc1ccc(CN2CCCN(C(=O)Cn3ccnc3C)CC2)cn1 1529181890 XYIYSDWXKUTKOA-UHFFFAOYSA-N 357.458 1.720 0 50 FDAA CCOc1ccccc1C(=O)N1CCCN([C@H]2CCNC(=O)CC2)CC1 1800410781 ASAVNFPRLUUFJF-MRXNPFEDSA-N 359.470 1.902 0 50 FDAA COc1cc(-c2onc(NC[C@H](O)CN(C)C)c2C(=O)O)ccc1F 1704310328 ROZFIJBAQPBGQE-JTQLQIEISA-N 353.350 1.522 0 50 FDAA CCN1C[C@H](C(=O)N2CCCN(Cc3scnc3C)CC2)CC1=O 1772708726 IWILJWNZHWWLKD-CQSZACIVSA-N 350.488 1.354 0 50 FDAA Cc1ccc(CC(=O)N2C[C@@H]3CN(Cc4nccn4C)C[C@]3(CO)C2)cc1 1772807259 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O=C(CC1(C(=O)N2CC[C@@]3(CCOC3)C2)CCCC1)N1CCOCC1 329782291 UDOOCQWMYUKGFO-GOSISDBHSA-N 350.459 1.435 0 50 FDAA CNC[C@@H]1CCCN(C(=O)C[C@@H](NC(C)=O)c2c(F)cccc2F)C1 237178202 IZHZKYCKZCXLND-XJKSGUPXSA-N 353.413 1.990 0 50 FDAA CCNc1nc(C(=O)N2CCN(c3nc(CC)ns3)CC2)cs1 155320192 ZJTPBCXBWCDBKR-UHFFFAOYSA-N 352.489 1.951 0 50 FDAA O=C(c1ccc(O[C@@H]2CCOC2)cc1)N1CCC(N2CCCNC2=O)CC1 375741662 GLXBRTTUOCCRKO-GOSISDBHSA-N 373.453 1.874 0 50 FDAA O=C(O)CN1C[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)cc1Cl)C2 1704325038 JAXZSGMTUNEAER-RISCZKNCSA-N 370.808 1.265 0 50 FDAA Cc1cnc([C@@]2(NC(=O)c3cc4c(cc3F)NC(=O)CC4)CCOC2)[nH]1 818670629 LWFZMPRJZGTSKI-GOSISDBHSA-N 358.373 1.788 0 50 FDAA N=C(NCCNC(=O)c1ccc(Br)cc1)NC[C@@H]1CCCO1 849010900 SEMLQUHIBGQHDO-ZDUSSCGKSA-N 369.263 1.472 0 50 FDAA CO[C@@H]1C[C@H](CNC(=O)c2oc(C3CC3)nc2C)N(c2ccncn2)C1 952886931 GRZXPXQZCIVDHP-ZIAGYGMSSA-N 357.414 1.674 0 50 FDAA CN1C[C@@H](NC(=O)c2ccn(-c3ccccc3)n2)[C@H](c2cncn2C)C1 952885961 DZEYHUIXAWMRDH-NVXWUHKLSA-N 350.426 1.433 0 50 FDAA CCN1C(=O)CC[C@H](CNc2ccc3nncn3n2)[C@H]1c1nccn1C 952852685 IKYAFKCYYQIHMM-WBMJQRKESA-N 354.418 1.270 0 50 FDAA Cc1csc(CCN(C)C(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)n1 1875302162 BVMYWGQBKPQSLF-UHFFFAOYSA-N 372.450 1.166 0 50 FDAA COc1ccc(S(=O)(=O)N[C@H](C(=O)O)c2cc(O)cc(O)c2)cc1F 1875340079 KHRJPWYIGQRFEG-AWEZNQCLSA-N 371.342 1.350 0 50 FDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](Nc3ncc(C)c(C)n3)C2)n1 1875301226 GCBXDLOAMDDQGZ-CQSZACIVSA-N 355.446 1.551 0 50 FDAA COC(=O)/C=C/C(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 1875378976 JPLZLGIWXWVWRP-AATRIKPKSA-N 357.332 1.868 0 50 FDAA C[C@H](O)[C@H]1C[C@H]1C(=O)NC1CC2(CCN(c3ccnc(C4CC4)n3)C2)C1 1875408530 YMTPZXSFKSFJAG-PJBXJAIDSA-N 356.470 1.846 0 50 FDAA CCc1nnc(N2CCOC[C@@H](CNC(=O)c3cc(C)ncc3C)C2)o1 1875406359 BVSPUFPWRCCKTK-AWEZNQCLSA-N 359.430 1.527 0 50 FDAA Cc1cc(=NC(=O)N2CC[C@@H](C3CC3)[C@@H]2c2nnc(O)n2C)cc(C)[nH]1 1875401115 FYGOBTMTLIKNSL-LSDHHAIUSA-N 356.430 1.960 0 50 FDAA Cc1ccc(N2C[C@H](C(=O)N3CC(c4cc(CO)on4)C3)CC2=O)cc1 886086564 WKUOPSVDEABFIQ-CYBMUJFWSA-N 355.394 1.454 0 50 FDAA Cc1cc(C)n(-c2ccc(C(=O)N[C@H]3C[C@@H](O)[C@@H]3n3cccn3)cc2)n1 888077227 UXYUHIQXJJCJKW-RCCFBDPRSA-N 351.410 1.790 0 50 FDAA COc1ccc(Cc2noc([C@@]3(N)CCN(C)C3)n2)c(Cl)c1OC 888078167 SRNCJBOVFYXRLH-MRXNPFEDSA-N 352.822 1.821 0 50 FDAA Nc1ncc(-c2cccc(N3CCNCC3)c2)cc1C(=O)N=c1cc[nH]cc1 1772768869 YDMJAALVMGFGRY-UHFFFAOYSA-N 374.448 1.810 0 50 FDAA Cn1nc(-c2ccccc2)c2c(NC(=O)C3CN([C@@H]4CCOC4)C3)[nH]nc21 896402858 SVMQJDRMSLNGNX-CQSZACIVSA-N 366.425 1.623 0 50 FDAA Clc1ccc(-c2ncc(CN3CCO[C@@H](c4nn[nH]n4)C3)cn2)cc1 2100534497 KWFWBCUYNGAQGZ-CQSZACIVSA-N 357.805 1.884 0 50 FDAA O=C(NC1Cc2ccccc2C1)c1cn2c(n1)CCN([C@H]1CCOC1)CC2 2100556662 OHDOAOYWEWDHLJ-SFHVURJKSA-N 366.465 1.427 0 50 FDAA O=C1CN(C[C@@H]2CCC[C@H](NC(=O)Cc3ccc4c(c3)OCO4)C2)CCN1 2100556859 SQZHGAMBQMLBCF-CVEARBPZSA-N 373.453 1.065 0 50 FDAA C[C@@H]1CN(S(C)(=O)=O)CCN1C(=O)Nc1cccc2c1ccn2C 2325775855 FHUKRXDEIUNTNH-GFCCVEGCSA-N 350.444 1.676 0 50 FDAA CN(C)c1cc(N2C[C@H](O)C[C@@H]2CN[C@H]2CCCc3ncccc32)ncn1 2325785491 AZYYLFHDOXRQQI-RKVPGOIHSA-N 368.485 1.544 0 50 FDAA O=S(=O)(C[C@@H]1CCCc2ccccc21)NCCN1CCCS1(=O)=O 2325803758 ZPMOXKBIXJTVCI-HNNXBMFYSA-N 372.512 1.061 0 50 FDAA Cc1cc(C)n2ccc(C(=O)Nc3ccccc3C(=O)NCCN)c2n1 2325859144 PNWYFKLGUKPZDI-UHFFFAOYSA-N 351.410 1.892 0 50 FDAA O=C(NCc1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 902480 ACUZQYMHQZEYNB-UHFFFAOYSA-N 360.435 1.638 0 50 FDAA O=C(c1cncnc1O)N1CCC[C@@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356139664 VTCMSHWJZLMSNG-PJIJBLCYSA-N 374.441 1.083 0 50 FDAA COCCN1CCC[C@@]2(CCCN2C(=O)c2c3c(nn2C)CCCC3)C1=O 2356149245 QFSDXUINXNOSKH-HXUWFJFHSA-N 374.485 1.543 0 50 FDAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@H]4CC[C@H](N4)[C@H]3C2)OCC(=O)N1C 2356166120 VRCAXOYQJQILGI-JLEOBMEESA-N 369.465 1.102 0 50 FDAA C[C@H](C(=O)Nc1ccc2nn(C)nc2c1)N(c1ccccc1)S(C)(=O)=O 2356167200 KFSCEPFIAOXGMU-GFCCVEGCSA-N 373.438 1.762 0 50 FDAA C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@]2(O)C(=O)CO 4096802 HAFVWTUQBYRPOB-RCGJQGOCSA-N 364.482 1.573 0 50 FDAA endogenous,in-man Cc1ccc(Cn2c(NCC(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1 4818513 PWKDCCLVEHVOMT-UHFFFAOYSA-N 355.442 1.858 0 50 FDAA COc1ccc(OC)c(N(CC(=O)NC2CCCCC2)S(C)(=O)=O)c1 6181661 RDMTWMRLIXCVIQ-UHFFFAOYSA-N 370.471 1.919 0 50 FDAA O=C(NC1CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 7609049 QJUQNKPOPZRPQP-UHFFFAOYSA-N 370.446 1.909 0 50 FDAA CC[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(OC)cc1 21896977 VSRWZKSNRZEIIE-INIZCTEOSA-N 354.472 1.934 0 50 FDAA CCCN(Cc1nccn1C)C(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 55182715 IKANGKXINNDGTJ-UHFFFAOYSA-N 364.471 1.737 0 50 FDAA CNC(=O)[C@H]1CCCCN1C(=O)CCN1CCN(c2cccc(C)c2)CC1 173911201 FQJDSIIOQDDEIL-LJQANCHMSA-N 372.513 1.634 0 50 FDAA C[C@H](O)Cc1cn(C2CCN(c3nccc(C(F)(F)F)n3)CC2)nn1 20168325 CUNZMBCZOTXCGI-JTQLQIEISA-N 356.352 1.852 0 50 FDAA Cn1nc(C(=O)O)c2c1CCN(C(=O)CN1CC[C@H](c3ccccc3)C1)C2 67654242 ORYBUZJXJJJZTQ-HNNXBMFYSA-N 368.437 1.493 0 50 FDAA COc1ccc(F)c(CN2CCC[C@@](O)(CN3CCOCC3)C2=O)c1 67868993 DDEKZARZKUSBGG-GOSISDBHSA-N 352.406 1.020 0 50 FDAA CN(C)c1nccc(N2CCN(CC(=O)N3CCc4ccccc43)CC2)n1 134174650 MJHDPNBJJGCWSK-UHFFFAOYSA-N 366.469 1.254 0 50 FDAA Cc1cccc(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)n1 20207481 MNJVCILTCMDRGI-OAHLLOKOSA-N 356.474 1.873 0 50 FDAA Cc1nn(C)c(C)c1CN(C)[C@H]1CN(C(=O)CCc2cccnc2)C[C@@H]1O 72430617 QCYRHJJYYSFWNT-OALUTQOASA-N 371.485 1.068 0 50 FDAA CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)COc2ccc(C)cc2)CC1 67085929 UTFJZCBDVYGENM-OAHLLOKOSA-N 368.499 1.940 0 50 FDAA CC(C)Cc1nc(CS(C)(=O)=O)n(-c2ccc3c(c2)OCCO3)n1 65371224 YAKKMLFOGKSFDD-UHFFFAOYSA-N 351.428 1.782 0 50 FDAA O=C1CN(c2ccc(C(=O)N[C@@H]3CCOC4(CCOCC4)C3)cc2)C(=O)N1 77538578 OEOYPZOUCPNVCU-CQSZACIVSA-N 373.409 1.201 0 50 FDAA CN(Cc1nc2ccccc2s1)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 65381206 GDAHQEBUACIALZ-GFCCVEGCSA-N 367.496 1.374 0 50 FDAA O=C(C[C@H]1C(=O)NCCN1C1CCCC1)NCCCOc1cccnc1 11667131 GBCWSUOLFSXGLM-KRWDZBQOSA-N 360.458 1.100 0 50 FDAA COc1ccc([C@@H]2CCCN2S(=O)(=O)[C@@H](C)C(=O)N(C)C)c(OC)c1 230151489 JFIVFNUTNAWOLA-WFASDCNBSA-N 370.471 1.647 0 50 FDAA CCOc1ccccc1NC(=O)CN1CCN(C(=O)[C@H]2CCCO2)CC1 35800967 QGCIGCCDAKSORF-QGZVFWFLSA-N 361.442 1.347 0 50 FDAA Cc1nn(C)cc1S(=O)(=O)Nc1ccc(NC(=O)c2ccn(C)n2)cc1 2807809 HRQQTNFGYZHPTF-UHFFFAOYSA-N 374.426 1.515 0 50 FDAA CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)c2csnc2C)cn1 328627332 MQQLMOCUZHOHBW-ZDUSSCGKSA-N 354.457 1.280 0 50 FDAA Cc1nn(C)c(C)c1[C@H]1[C@H](NC[C@@H](O)c2ccc(F)cc2)CC(=O)N1C 328629988 PIXGMOOXYQGNNT-GPMSIDNRSA-N 360.433 1.771 0 50 FDAA Cc1nn(C)c(Oc2cccnc2)c1CN1CCN(c2cnn(C)c2)CC1 126137438 UMZWYLPSWIZOQE-UHFFFAOYSA-N 367.457 1.972 0 50 FDAA Cc1[nH]cnc1CN1CCc2ncnc(N3CC[C@H](N(C)C)C3)c2CC1 72421945 ZTJIZXFJFAKSMN-HNNXBMFYSA-N 355.490 1.249 0 50 FDAA Cc1noc(C)c1CN1CCN(Cc2nc3ccccc3c(=O)n2C)CC1 170838403 IHGUGQQAURBXGY-UHFFFAOYSA-N 367.453 1.856 0 50 FDAA O=C(NCC1CCN(C[C@H](O)c2ccccc2)CC1)c1cc[nH]c(=O)c1 150865009 ASSHMSJVZZFDSJ-SFHVURJKSA-N 355.438 1.550 0 50 FDAA O=C(O)[C@]12CCCN(Cc3ccncc3)[C@@H]1CCN(c1cnccn1)C2 72479192 OVEZGXVLJFWVDW-APWZRJJASA-N 353.426 1.817 0 50 FDAA COCCOCC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CCN2CC1 71757143 HTGZUTPMZIMNFM-CEWLAPEOSA-N 374.481 1.747 0 50 FDAA COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1C 72441217 UUCAMHZZYJKNRY-UKRRQHHQSA-N 354.472 1.852 0 50 FDAA CCOc1cccc(NC(=O)C[C@@H]2COCCN2C(=O)c2nccn2C)c1 72454517 BYRAVIIJEQGALU-OAHLLOKOSA-N 372.425 1.689 0 50 FDAA Cc1cc(CN2CCN(C(=O)C(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)ccc1F 72481204 PIHWJQQFVATWIO-DLBZAZTESA-N 368.474 1.600 0 50 FDAA COc1ccc2c(c1)C1(CC1)CN(CC(=O)N1CCC[C@@H](C(N)=O)C1)C2 377717337 BNRSMCWGOCSBRF-OAHLLOKOSA-N 357.454 1.266 0 50 FDAA CC(=O)NC[C@@H]1CN(C(=O)c2cccnc2Nc2ccccc2F)CCO1 172132438 GRAFGFULICQOOT-CQSZACIVSA-N 372.400 1.941 0 50 FDAA Cc1cccc(OC2CN(C(=O)CCN(C)[C@H]3CCS(=O)(=O)C3)C2)c1 82134135 RNHWWIMOTXEZGC-HNNXBMFYSA-N 366.483 1.094 0 50 FDAA CCOC(=O)c1nn(Cc2ccccn2)c2c1CN([C@@H](C)COC)CC2 20118857 DEGBGWGYXIQTHD-AWEZNQCLSA-N 358.442 1.896 0 50 FDAA O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1cc(=O)[nH]c2ccccc12 91656653 UAIJPHAICPLFNT-OAHLLOKOSA-N 355.438 1.901 0 50 FDAA O=C(NCCc1noc([C@H]2CCCO2)n1)Nc1ccccc1-n1cnnn1 95500121 FEBNCELPZSOCAL-CYBMUJFWSA-N 370.373 1.261 0 50 FDAA CN1C(=O)[C@@H](CC(=O)N2CCC3(C=Cc4ccccc43)CC2)N(C)C1=O 97301355 RYPYUUHFYABCBF-MRXNPFEDSA-N 353.422 1.856 0 50 FDAA CCCc1cncnc1N1CCC(NC[C@@H]2CCS(=O)(=O)C2)CC1 96166618 QORSPCHQUJCTNE-AWEZNQCLSA-N 352.504 1.422 0 50 FDAA COc1coc(CN2C[C@@H]3CN(C4CCCC4)C[C@]3(C(=O)O)C2)cc1=O 96165567 PTABYRNXUOREPW-BFUOFWGJSA-N 362.426 1.409 0 50 FDAA Cc1nc(CNC(=O)c2coc(COc3ccc4c(c3)OCO4)n2)n[nH]1 91536653 XWOAIDHNGGDEMO-UHFFFAOYSA-N 357.326 1.339 0 50 FDAA CSCCc1nc(-c2ccc3nnnn3c2)n(-c2cc(C)ccn2)n1 97155901 HFUOACSMYSBKDK-UHFFFAOYSA-N 352.427 1.981 0 50 FDAA O=C(Cn1cnc2ccccc2c1=O)NCCCN1Cc2ccccc2C1 91644645 GQGZYOFCSIHZPL-UHFFFAOYSA-N 362.433 1.919 0 50 FDAA CCn1cc(CN2CCC3(CC2)c2nc[nH]c2CCN3C(=O)COC)cn1 91351034 NDWVZNABBFSNLX-UHFFFAOYSA-N 372.473 1.149 0 50 FDAA NS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCOc3ccccc3C2)c1 96140827 HQIYLHCZABETEB-CYBMUJFWSA-N 360.435 1.705 0 50 FDAA COc1ccc2c(c1)C[C@@H](C(=O)N1CCN(C(=O)c3ccc[nH]3)CC1)CO2 91693641 JIHZYMMLMWJECX-OAHLLOKOSA-N 369.421 1.559 0 50 FDAA C[C@H](NC(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O)C(N)=O 91593590 DRXIOKNCQNNMIQ-ZETCQYMHSA-N 369.208 1.271 0 50 FDAA Cn1ccnc1CN1CCN(C(=O)C2CCN(Cc3ccco3)CC2)CC1 95374922 VJPBCDLYHSALTR-UHFFFAOYSA-N 371.485 1.570 0 50 FDAA O[C@H]1[C@H](N2CCN(c3ccccn3)CC2)c2ccccc2C12CCNCC2 23129356 GSGMZNZMMDQEES-RTWAWAEBSA-N 364.493 1.941 0 50 FDAA COCc1noc(CCNc2nc3c(c(=O)[nH]2)Cc2ccccc2OC3)n1 95506747 VXOQECJXILYVBN-UHFFFAOYSA-N 369.381 1.437 0 50 FDAA CCCCSc1nc(N)cc(N2CC34CN(C)CC3(CN(C)C4)C2)n1 95382107 HIWAXRAHQNQRQV-UHFFFAOYSA-N 362.547 1.635 0 50 FDAA O=C(NCC(F)F)c1ccc(S(=O)(=O)NCCn2cccc2)cc1 91820202 HXSSVVJGKCZSFM-UHFFFAOYSA-N 357.382 1.462 0 50 FDAA NC(=O)Cn1ccnc1C1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 95521216 FRQUSEQMOYKZLC-UHFFFAOYSA-N 370.409 1.159 0 50 FDAA COc1cccc2c1OC[C@@H](CNC(=O)C1CCS(=O)(=O)CC1)C2 95359695 QVIZFPBARPZEEO-GFCCVEGCSA-N 353.440 1.187 0 50 FDAA COc1cncc([C@H](NC(=O)c2cccn3cnnc23)[C@H]2C[C@@H](O)C2)c1 243892418 AIAWAOXKBMPKED-PVXIVEMSSA-N 353.382 1.375 0 50 FDAA O=C1CCC2(CCN(Cc3cncnc3)CC2)CN1[C@H]1CC[C@H](O)CC1 244633634 GGLRCLUWBQOEPO-IYARVYRRSA-N 358.486 1.985 0 50 FDAA Cc1ccc(S(=O)(=O)N2CC3(C2)[C@@H](N)CN3Cc2ccccc2)cc1 248037267 SMOIAYPLVUKPDW-SFHVURJKSA-N 357.479 1.581 0 50 FDAA Cc1nonc1CN1CCC2(CCC(=O)N([C@H]3CC[C@H](O)CC3)C2)CC1 240936855 SEXCMHJVUVKEJT-WKILWMFISA-N 362.474 1.886 0 50 FDAA CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)Cn1nnc2ccccc2c1=O 253413324 UMLOMAGLNSBFOP-MAUKXSAKSA-N 369.469 1.514 0 50 FDAA biogenic Cn1c(CO)nnc1[C@H]1CCCN(Cc2nnc(-c3ccccc3)o2)C1 252478788 AVDFCEJLQSXSGU-AWEZNQCLSA-N 354.414 1.737 0 50 FDAA O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NC[C@H]1CC(=O)N(C2CC2)C1 183187226 YSHNJAYUAWCQIL-LLVKDONJSA-N 374.832 1.121 0 50 FDAA CCNC(=O)c1ccc(NCc2cc3n(n2)CCN(C(=O)C(C)C)C3)nc1 299784935 LFGXEXWAKVOPSA-UHFFFAOYSA-N 370.457 1.638 0 50 FDAA C[C@@H](Cn1cncn1)NC(=O)Nc1ccc(OC2CCN(C)CC2)cc1 299755421 CIPQXROWZGIRQC-AWEZNQCLSA-N 358.446 1.961 0 50 FDAA CN(c1ccc(C(=O)NCCCn2cc(Cl)cn2)cc1)S(C)(=O)=O 299757082 MHWDRPGQTPLYQV-UHFFFAOYSA-N 370.862 1.752 0 50 FDAA Cn1c(CO)nnc1[C@H]1CCCN(C(=O)NCCCc2ccc(O)cc2)C1 670450280 VSODUHSFVILWRH-HNNXBMFYSA-N 373.457 1.535 0 50 FDAA C=CC(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 1353213761 AZGCTZJTBXBSBG-UHFFFAOYSA-N 351.410 1.492 0 50 FDAA C[C@H](C(=O)O)N(C)C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O 269094578 YEJYNIOGVQGXJM-SKDRFNHKSA-N 369.215 1.734 0 50 FDAA O=C(NC1CN(C(=O)c2csc(-c3ccc4c(c3)OCO4)n2)C1)C1CC1 275172578 YBONYJKWBZIMOK-UHFFFAOYSA-N 371.418 1.889 0 50 FDAA COc1ccc(OC)c(-n2nnnc2SCCN2CCOC[C@@H]2C)c1 170605601 BBQBBMNOAUSVKZ-LBPRGKRZSA-N 365.459 1.492 0 50 FDAA Cn1ccc(NC(=O)C(=O)Nc2ccc(Sc3nccn3C)cc2)n1 170618502 BDOSRNAYDAAYOX-UHFFFAOYSA-N 356.411 1.882 0 50 FDAA C[C@H]1CN(C(=O)NCc2cn(C)nc2C(F)(F)F)CCS(=O)(=O)C1 192199442 QTTIWDJZAOSJLZ-VIFPVBQESA-N 368.381 1.015 0 50 FDAA CCCCc1ccc(N2C[C@H](C(=O)N[C@H]3CCC(=O)NC3=O)CC2=O)cc1 772700645 UHGYWXRFSVNLOS-ZBFHGGJFSA-N 371.437 1.304 0 50 FDAA C[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[nH]1)c1ccc2nc(O)[nH]c2c1 776255064 QKDGHVQLFFZWMM-ZCFIWIBFSA-N 369.307 1.966 0 50 FDAA O=C(O)[C@@]12CCOC[C@@H]1CN(Cc1cc(=O)n3cc(Cl)ccc3n1)C2 1610803979 VIYFAFIAHXCATH-APPDUMDISA-N 363.801 1.271 0 50 FDAA COc1ccc2c(c1)CCOC21CCN(C(=O)CCS(C)(=O)=O)CC1 1704297052 DUIVKWPWTQUANV-UHFFFAOYSA-N 367.467 1.520 0 50 FDAA O=C(O)[C@H](C(=O)Oc1ccccc1)[C@H](C(=O)O)C(=O)Oc1ccccc1 5647540 WUXFJBKGSMQVDJ-ZIAGYGMSSA-N 358.302 1.599 0 50 FDAA O=C(C[C@H]1C(=O)NCCN1C1Cc2ccccc2C1)NCCc1ccco1 12051643 ZWMHZHKPARBJLX-IBGZPJMESA-N 367.449 1.296 0 50 FDAA Cc1c(NC(=O)CN2C[C@H](C)O[C@H](C)C2)c(=O)n(-c2ccccc2)n1C 12987908 OUVUHPCPFSJDEU-OKILXGFUSA-N 358.442 1.532 0 50 FDAA Cc1nc(=O)[nH]c(C)c1CCC(=O)NCc1ccc(N2CCCC2=O)cc1 154330737 JOOLEHOGHUTOBE-UHFFFAOYSA-N 368.437 1.763 0 50 FDAA CCN=S1(=O)CCC2(CC1)CN(C(=O)[C@@]13CCCN(CC1)C3)CCO2 1857527941 JYUMNOWFNQUHAI-PKGUJWKASA-N 369.531 1.352 0 50 FDAA Cc1nc[nH]c1CN1C[C@@H]2COC[C@]2(C(=O)N(C)CCc2ccccn2)C1 1857683668 YYIUJGPDCIIDKL-OXQOHEQNSA-N 369.469 1.263 0 50 FDAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857708727 KQFLJJFCDMMJSQ-APWZRJJASA-N 357.385 1.718 0 50 FDAA CN(C)C[C@H]1[C@H]2CN(C(=O)C3(N4CCCC4)CCCC3)C[C@]23CC[C@H]1O3 1857727136 LUUZEFMJBMSSQV-XKGFGPFHSA-N 361.530 1.963 0 50 FDAA COC(=O)CC(C)(C)CC(=O)N(C)Cc1cccc(CS(N)(=O)=O)c1 328589401 NGVPJVMGMIHHPF-UHFFFAOYSA-N 370.471 1.413 0 50 FDAA COc1ncccc1C(=O)N1C[C@@H]2CC[C@H]1CN(Cc1[nH]cnc1C)C2 248034156 MVJLQTYEFGJSOA-CABCVRRESA-N 355.442 1.858 0 50 FDAA COc1ccccc1-c1ncc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3C)cn1 1704328185 YTIDLEWJGZKHSP-CVEARBPZSA-N 368.437 1.441 0 50 FDAA C[C@@]1(O)CCOC2(CCN(C(=O)c3cc(F)c(F)cc3F)CC2)[C@H]1O 1704313348 LTURBUBCRJNXLG-JKSUJKDBSA-N 359.344 1.611 0 50 FDAA C[C@H]1CN(C(=O)c2ccc(NC(=O)c3cc(O)nn3C)cc2)C[C@H](C)O1 1875292234 AUYVVSVQKWDQBH-RYUDHWBXSA-N 358.398 1.627 0 50 FDAA C[C@H](C(=O)NCc1ccc(-n2cnc3ccccc32)cc1)S(N)(=O)=O 1875309620 FRAFBCWWDOXZLH-GFCCVEGCSA-N 358.423 1.319 0 50 FDAA CCn1nc(C)c(CN(C)c2cc(N3C[C@@H](OC)C[C@H]3CN)ncn2)c1C 1875392038 WSLXCXPSHPYMRG-HOTGVXAUSA-N 373.505 1.499 0 50 FDAA C=CC(=O)NCC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 1875371072 NZHANWMOBOMJRE-ZDUSSCGKSA-N 353.216 1.651 0 50 FDAA Cc1cc2[nH]c(O)nc2cc1S(=O)(=O)N1C[C@@]2(C)CN(C)C[C@]2(C)C1 1875313796 VCQBDFKYQOVQHB-IAGOWNOFSA-N 364.471 1.539 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)N2CC(C(=O)OCc3ccccc3)C2)C1 1875371538 FADRUNUIAQKWJY-INIZCTEOSA-N 356.422 1.613 0 50 FDAA CC(C)(CO)CCNC(=O)c1cc(-c2ccco2)n2cnc(C(N)=O)c2n1 1875350697 XNNIWMKAFCMBNB-UHFFFAOYSA-N 371.397 1.227 0 50 FDAA N=c1[nH]c(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(F)s2)cs1 1875407870 JOUIAFJSFATXBT-YUMQZZPRSA-N 352.416 1.495 0 50 FDAA Cc1cc(C(=O)O)cc(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@H]2C)c1 1875405944 SFWRGSFNMXMQJT-CJNGLKHVSA-N 352.456 1.941 0 50 FDAA Cn1cc(N2C[C@@H](NC(=O)c3ccc(C4CC(=O)C4)cc3)CC2=O)cn1 2325774470 JQPZGIQZETXWRD-HNNXBMFYSA-N 352.394 1.402 0 50 FDAA CN(C)c1ccc(-c2cncc(C(=O)NC[C@@H]3C[C@H]4COC[C@H]4N3)c2)cc1 2325787603 KWAUDIKACLRENC-CMKODMSKSA-N 366.465 1.921 0 50 FDAA CO[C@@H]1C[C@H]2C[C@H]1C[C@@H]2N(C)C(=O)C1=NN(c2ccc(C)cc2)C(=O)CN1 2325796994 PNBQZUFLDCKABJ-YQFWSFKMSA-N 370.453 1.517 0 50 FDAA Oc1ncnc2[nH]c(=NCc3ccc(CN4CC[C@@H](O)C4)cc3)ccc12 2325802664 SCFVPGJYSXYLPW-OAHLLOKOSA-N 351.410 1.331 0 50 FDAA COc1ccccc1C1(C(=O)N[C@@H](C)CN(C)C(=O)[C@@H](O)C2CC2)CCC1 2325828759 QMXPNUMTKYZJGA-KSSFIOAISA-N 374.481 1.851 0 50 FDAA Cn1ncc2nc(O)c(C(=O)N3CCc4ccccc4[C@H]3C(=O)O)cc21 2325851726 HLPUMQCCDATFNH-HNNXBMFYSA-N 352.350 1.498 0 50 FDAA C[C@H](O)c1cn(CCC2CN(C(=O)c3ccc(-c4cn[nH]c4)cc3)C2)nn1 2325869541 SDQKVOHIIJWYPN-ZDUSSCGKSA-N 366.425 1.884 0 50 FDAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC(c3nc(O)n[nH]3)CC2)cc1 2325889764 RSJYYKSNYBYTLP-UHFFFAOYSA-N 355.398 1.679 0 50 FDAA CN1CCC[C@H](c2cccc(C(=O)NCc3nnc4c(=O)[nH]ccn34)c2)C1 899429670 QJQGYWPZGLHSBA-HNNXBMFYSA-N 366.425 1.157 0 50 FDAA O=C(c1ccc2nn[nH]c2c1)N1CCc2nc(Cc3ccccc3)nn2CC1 2356134658 WTMFMHALVQJUIB-UHFFFAOYSA-N 373.420 1.839 0 50 FDAA O=S(=O)(c1cccnc1)N1CCc2nc(Cc3ccccc3)nn2CC1 2356143710 SZASVRVIQHAGQH-UHFFFAOYSA-N 369.450 1.511 0 50 FDAA CN1CCc2cc(-c3cnc4c(N5CCC(O)CC5)nccn34)cnc21 2356143768 WHUZBQFPHKMIBE-UHFFFAOYSA-N 350.426 1.745 0 50 FDAA Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCCN1CCC[C@@H](C)C1 10049342 OYRJZUYEDRQYAA-GFCCVEGCSA-N 358.446 1.106 0 50 FDAA Cn1c(S)nc2cc(C(=O)NCC[S@](=O)C(C)(C)C)ccc2c1=O 112300273 YPCAXGCRRBMWDF-XMMPIXPASA-N 367.496 1.499 0 50 FDAA CN(C(=O)C[C@H]1C(=O)NCCN1C/C=C/c1ccccc1)C1CCOCC1 60230148 WLJWCAXYWKQDEE-MEQKGCOVSA-N 371.481 1.528 0 50 FDAA CN(C)c1ccc([C@H]2CC(=O)Nc3nc(N4CCOCC4)nc(N)c32)cc1 65508844 DYMKWBBHHKQLEM-CQSZACIVSA-N 368.441 1.436 0 50 FDAA CCOc1ccccc1OCCN1C(=O)N[C@](C)(C2CCNCC2)C1=O 67785760 OMYUDAJWTQHSJM-LJQANCHMSA-N 361.442 1.774 0 50 FDAA O=C(N[C@@H]1CCCNC1=O)c1cc(COc2ccc(F)cc2F)[nH]n1 67908941 HLNGRAMPDFQDNL-GFCCVEGCSA-N 350.325 1.275 0 50 FDAA COc1ccc(CCN(C)c2nc(N(C)C)nc3c2CCNC3)cc1OC 67755164 QMHNMVFLGHFUEC-UHFFFAOYSA-N 371.485 1.884 0 50 FDAA O=C(NC[C@@H]1OCCc2ccccc21)c1cc(CN2CCC(O)CC2)on1 67817469 QSXCNLNPNLTCGO-IBGZPJMESA-N 371.437 1.675 0 50 FDAA CN(C)CCN1C(=O)N[C@](CCc2ccccc2)(C2CCNCC2)C1=O 67472700 VMOIDKKMKZQDPV-HXUWFJFHSA-N 358.486 1.471 0 50 FDAA CCCN1C[C@H](NC(=O)c2cc(COc3cccc(F)c3)[nH]n2)CC1=O 67770028 VWDVIGYXKGEHFG-CYBMUJFWSA-N 360.389 1.869 0 50 FDAA OCCOCCN1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 72150305 LGCYXEDBWCLDIY-ATZDWAIDSA-N 352.425 1.836 0 50 FDAA Cn1c([C@@H]2CCCN2C[C@H](O)COC2CCOCC2)nc2c1CCCC2 328654665 XPBPRVBSMRYHSV-KXBFYZLASA-N 363.502 1.992 0 50 FDAA Cc1ccccc1NC(=O)NCCNc1cc(N2CCOCC2)ncn1 72119365 LYJAPZQWPUVCBX-UHFFFAOYSA-N 356.430 1.855 0 50 FDAA Cc1cc(C(=O)N2CCOC[C@H]2CC(=O)N2CCC(CO)CC2)c(C)o1 72435781 MHKWEXQGVWVAPK-MRXNPFEDSA-N 364.442 1.358 0 50 FDAA COc1ccc(S(=O)(=O)CCC(=O)N[C@H](C(=O)O)C(C)C)cc1F 218286012 JKKAVKSPFBYSAZ-AWEZNQCLSA-N 361.391 1.224 0 50 FDAA 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0 50 FDAA COc1ccccc1-n1cc(CN2CCn3nc([C@H](O)CO)cc3C2)cn1 219879765 ULSHWSCCHXOYIW-GOSISDBHSA-N 369.425 1.119 0 50 FDAA Cc1cn2cc(CNC(=O)c3sccc3S(N)(=O)=O)nc2s1 215985566 RRVLUQVIPPTZJM-UHFFFAOYSA-N 356.454 1.343 0 50 FDAA O=C(N[C@H](CO)c1ccsc1)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 332845064 NHNCGQGGXFUWAZ-BZUAXINKSA-N 364.467 1.339 0 50 FDAA CC(C)(C)N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCc4ncccc4C2)[C@@H]3C1=O 77516161 YVOANQPBJORZRL-WCLQXYBISA-N 367.449 1.547 0 50 FDAA CC(C)NS(=O)(=O)N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12 240333272 FCQAFHCLADMSCP-GFCCVEGCSA-N 352.460 1.048 0 50 FDAA CN1CCN(CC2(CNC(=O)c3cccc([C@@H]4CCCNC4)c3)CC2)CC1 215063514 QCDHUBWISYYNMH-HXUWFJFHSA-N 370.541 1.911 0 50 FDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCCc1ncc[nH]1)CO2 71730645 PASJSJDTYQUQAN-CQSZACIVSA-N 371.441 1.058 0 50 FDAA CC(C)(C)c1cc(C(=O)NC2CCN(Cc3ccncc3)CC2)[nH]c(=O)n1 219932670 OIVOYAOEFVOITP-UHFFFAOYSA-N 369.469 1.857 0 50 FDAA CON(C)C[C@H](O)Cn1cc(NC(=O)[C@H](C)O[C@@H]2CCC[C@@H](C)C2)cn1 242047836 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Cn1nc2n(c1=O)C[C@@H](C(=O)NCCc1nc3ccccc3s1)CC2 222823723 RLJOQBNHBODPPK-NSHDSACASA-N 357.439 1.113 0 50 FDAA O=C(CCc1cc2n(n1)CCN(CCn1cc(Cl)cn1)C2)NC1CC1 82147434 UFCLUAYDXXZXBF-UHFFFAOYSA-N 362.865 1.460 0 50 FDAA Cc1nc(N2CCCCC2)ncc1C(=O)NC[C@@H](CO)Cc1ccco1 426677992 KOJGTSPXRXPLFL-HNNXBMFYSA-N 358.442 1.949 0 50 FDAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCC(O)(Cn2ccnc2)CC1 92019629 FCRSDOMEKZQFEE-UHFFFAOYSA-N 351.410 1.941 0 50 FDAA CN1CCO[C@@H](CNC(=O)c2cccc(-c3ccsc3C(N)=O)c2)C1 426555889 LBKHYGDORKXLPG-AWEZNQCLSA-N 359.451 1.574 0 50 FDAA O=C(NC[C@H]1CC(=O)N(c2ccccc2)C1)c1cnc(C2CC2)nc1O 426503887 AVCMVWAVTWJGQM-GFCCVEGCSA-N 352.394 1.843 0 50 FDAA CC(C)n1cc(CNC(=O)N2CCNC(=O)[C@H]2c2cccc(F)c2)cn1 426684022 YZVMSUDKKYDZQD-MRXNPFEDSA-N 359.405 1.986 0 50 FDAA O=C(CN1CCN(C[C@@H]2CCOc3ccccc3C2)CC1)N1CCOCC1 95519396 NLWUYXJWDMLPMN-GOSISDBHSA-N 373.497 1.104 0 50 FDAA Cc1cc([C@H]2CCCCN2C(=O)Cn2nnnc2CN2CCCC2)no1 95520049 KRHARDKLUOATMB-OAHLLOKOSA-N 359.434 1.319 0 50 FDAA Cc1ccc(-n2nc(CC(N)=O)nc2-c2cnc3ccccn3c2=O)c(C)c1 91809133 ZVQIWIDNBDQKKX-UHFFFAOYSA-N 374.404 1.587 0 50 FDAA O=C(NCCN1CCC[C@H](CO)C1)c1cnc(Nc2ccccc2)nc1 97527240 YTUUFCWYNITIJR-HNNXBMFYSA-N 355.442 1.654 0 50 FDAA Cc1nc(N(C)C)ncc1C(=O)N1CCC[C@H](c2nnc3ccccn23)C1 95379483 CAZOATSAPGRZDL-AWEZNQCLSA-N 365.441 1.914 0 50 FDAA CN1CCN(c2ccc(C(=O)N3C[C@@H](C(=O)O)[C@H](C4CC4)C3)cc2)CC1 91625345 BHOQJNATKYGHSC-ZWKOTPCHSA-N 357.454 1.621 0 50 FDAA O=C(c1ccc2ccccc2c1O)N1C[C@H](CO)[C@H](CN2CCOCC2)C1 91755089 JXDNWFPXWWUPLD-IAGOWNOFSA-N 370.449 1.558 0 50 FDAA Cn1c(N2CCOCC2)nc2cc(C(=O)NCCc3c[nH]cn3)ccc21 95377220 LCNOCBDXXBUGOZ-UHFFFAOYSA-N 354.414 1.106 0 50 FDAA COCC(=O)N1CCC[C@H](C(=O)N(C)Cc2ccc3nsnc3c2)C1 95387165 XUNSCGOEKNLNPG-ZDUSSCGKSA-N 362.455 1.535 0 50 FDAA CNC(=O)[C@H](C)N1CCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)CC1 91574334 RJTDYDNYPIBYRN-HNNXBMFYSA-N 359.474 1.124 0 50 FDAA NC(=O)CN1CCN(C(=O)Nc2cc(F)c(C(F)(F)F)c(F)c2)CC1 97480547 YAUXRAQYXGXTJZ-UHFFFAOYSA-N 366.290 1.618 0 50 FDAA CC(C)Oc1cc(N[C@@H]2CCN(C(=O)c3ccccc3)C[C@H]2O)nc(N)n1 244882566 XUEPRYLHFXMWLF-HUUCEWRRSA-N 371.441 1.534 0 50 FDAA COCCn1nnnc1[C@@H]1CN(Cc2ccc(-n3cccn3)cc2)CCO1 252478176 AFDVQHRIWMLTEZ-KRWDZBQOSA-N 369.429 1.079 0 50 FDAA O=C(O)COc1ccc(CCNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1 299751179 PUMJPITWQGOTAL-HNNXBMFYSA-N 374.437 1.600 0 50 FDAA Cc1ccccc1-c1noc([C@@H](C)NC(=O)NCC2(O)CCN(C)CC2)n1 534586389 CVALHBBFWUFRNS-CQSZACIVSA-N 373.457 1.862 0 50 FDAA COc1cc2c(cc1NC(=O)N[C@@H](C)Cc1cnccn1)n(C)c(=O)n2C 299758598 KUERLQUHTMLRGI-NSHDSACASA-N 370.413 1.428 0 50 FDAA CCNC(=O)c1cccc(NC(=O)NCCSc2nncn2C)c1C 299769296 LRKSQHIGEONHID-UHFFFAOYSA-N 362.459 1.787 0 50 FDAA CO[C@@]12CC[C@H](O)C[C@@H]1N(S(=O)(=O)c1ccc(C(=O)O)cc1)CC2 299770853 RZULBBYIKOSKON-DUVNUKRYSA-N 355.412 1.078 0 50 FDAA Cc1cc(C(=O)N[C@@H]2C[C@H](C(=O)N3CCOCC3)C[C@H]2O)ccc1Cl 1940194888 AACZAVCXTZPPAA-NUEKZKHPSA-N 366.845 1.377 0 50 FDAA COC1CCN(S(=O)(=O)N[C@@H](Cn2cccn2)c2ccccc2)CC1 656915541 LTQNBGIFCMMPEU-KRWDZBQOSA-N 364.471 1.570 0 50 FDAA CCc1cc(S(=O)(=O)N2CC[C@@H](N3CCN(C)CC3)C2)ccc1OC 823504530 ZGIJENGRDLSBIQ-MRXNPFEDSA-N 367.515 1.268 0 50 FDAA NC(=O)c1noc(CNC(=O)N2CCC(OCc3ccccc3)CC2)n1 584889937 CEDMYQQGXIEGIQ-UHFFFAOYSA-N 359.386 1.059 0 50 FDAA Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)CN2C(=O)C(=O)Nc1ccccc1 1073265490 VUIJQAJLPAGZGJ-WBVHZDCISA-N 367.453 1.780 0 50 FDAA COc1cc(C(=O)N2CCC[C@H](CNC(=O)c3cc(C)on3)C2)ccn1 952971413 SGUBUDRXKVDXLC-CYBMUJFWSA-N 358.398 1.669 0 50 FDAA CN1CC2(CCC1=O)CCN(C(=O)/C=C/c1cnc(N(C)C)nc1)CC2 952980219 WKVMISVYICGBGQ-SNAWJCMRSA-N 357.458 1.417 0 50 FDAA C[C@H]1NC(=O)N(c2ccccc2NC(=O)c2cc3ncccn3n2)C1=O 952990059 VNIJAMDLZYTCHR-SNVBAGLBSA-N 350.338 1.426 0 50 FDAA Cc1ccc2nc(C)c(C(=O)N[C@H]3CCOC[C@@H]3OCC(N)=O)cc2c1 1565516465 MZAKUYIYHDKGLU-IRXDYDNUSA-N 357.410 1.241 0 50 FDAA CCCCSCc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2O)oc1C 1565529905 VBRLEHOLGPBMIX-STQMWFEESA-N 361.485 1.509 0 50 FDAA C[C@H]1CCCN1S(=O)(=O)N1CCN(Cc2cn3ccccc3n2)CC1 184869504 WRTQHORDKQUPGV-HNNXBMFYSA-N 363.487 1.181 0 50 FDAA CN(CC(=O)O)C[C@H]1CN(C(=O)Cc2ccc(C(F)(F)F)cc2)CCO1 275516561 BZHPVDBIGCSGPY-AWEZNQCLSA-N 374.359 1.492 0 50 FDAA Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@H]1Cc2ccccc21 192528087 HQSIGCATRNZORD-INIZCTEOSA-N 362.499 1.680 0 50 FDAA C[C@](CNC(=O)Cn1nnc(-c2ccccc2)n1)(C(=O)O)c1ccccc1 193072898 UHSGNMMJDPASSW-LJQANCHMSA-N 365.393 1.499 0 50 FDAA O=C(c1ccccc1-n1cncn1)N1CCO[C@H](CO)[C@H]1c1ccccc1 1529134045 XRCHNJQZGOXNMP-RTBURBONSA-N 364.405 1.842 0 50 FDAA O=C(CCc1n[nH]c2c1CCCC2)N1CCCN(C(=O)[C@@H]2CCOC2)CC1 1529180040 HWBYXCNZPCPYLR-OAHLLOKOSA-N 374.485 1.319 0 50 FDAA Cc1cc(C[C@@H]2CN(C(=O)CCc3nc4ccc(F)cc4[nH]3)C[C@@H]2O)n[nH]1 1529172399 GVTSBPVHLSCPGA-PXAZEXFGSA-N 371.416 1.728 0 50 FDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1cc(F)ccc1Cl 1704302617 AJOLKYORSAFCFY-ZANVPECISA-N 364.826 1.115 0 50 FDAA CC(=O)Oc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCO)cc1 12379995 JVYVMEJULIKIFM-QGOAFFKASA-N 368.389 1.491 0 50 FDAA biogenic CCNC(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](N1CCOCC1)CC2 14748500 BVCVIPZPHXXBAM-KRWDZBQOSA-N 368.481 1.871 0 50 FDAA Cc1ccc2c(CC(=O)N3CCC[C@H](N4CCOCC4)C3)cc(=O)oc2c1 19740282 SFLHZYBLLWNBOM-KRWDZBQOSA-N 370.449 1.967 0 50 FDAA CC[C@]12COC(=O)N1CCN(C(=O)Cn1nc(C)c3ccccc3c1=O)C2 1857674068 PPKZPRKAZDWCMY-IBGZPJMESA-N 370.409 1.148 0 50 FDAA Cc1nc(CNC(=O)[C@H]2CC(=O)N(c3nccs3)C2)nc2c1CCCC2 1857700687 FRSWJWWIFTYVNE-LBPRGKRZSA-N 371.466 1.790 0 50 FDAA COc1cccc(CN2CC[C@H](CO)[C@H](O)C2)c1OCCCN(C)C 1857719791 VLCGIRGEIFATRF-IAGOWNOFSA-N 352.475 1.201 0 50 FDAA O=C(O)COc1ccccc1-c1nccn1C1CCS(=O)(=O)CC1 1857729313 DDQWEZQFSLETSM-UHFFFAOYSA-N 350.396 1.763 0 50 FDAA Cc1noc(C)c1CCC(=O)N1CCC2(CCc3c(O)nc(=N)[nH]c32)CC1 1857737307 GVWFTWJJNYCVFI-UHFFFAOYSA-N 371.441 1.639 0 50 FDAA C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)C2CCN(S(C)(=O)=O)CC2)C1 408225111 YBWNZSYTSZLTKL-GUYCJALGSA-N 360.520 1.352 0 50 FDAA CCc1oc(C(=O)N2CCS(=O)(=O)C[C@H]2c2cnn(C)c2)cc1C 328618164 DLBASMRSZIWOOP-ZDUSSCGKSA-N 351.428 1.496 0 50 FDAA CC(=O)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1nn2cc(C)cnc2c1Cl 247939150 MLANPARVNATDJE-OLZOCXBDSA-N 361.833 1.774 0 50 FDAA Cc1ccc(N2CC[C@@H](C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3C)C2=O)cc1C 253420300 WERLPTGJPOUVEM-CWRNSKLLSA-N 364.467 1.206 0 50 FDAA COc1cc(Br)c(CNC(=O)[C@H]2C[C@@H]2C(=O)O)cc1OC 262651187 RXKAYQZHTPTPPH-IUCAKERBSA-N 358.188 1.803 0 50 FDAA C[C@H](NC(=O)[C@H]1CCCCN1C(=O)c1ccco1)[C@H](C)N1CCOCC1 264315575 UFAKWZARSRVNKZ-HRCADAONSA-N 363.458 1.500 0 50 FDAA C=CC(=O)N(C)CC(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 858754738 CSYUWCSLCMEBMS-AWEZNQCLSA-N 353.463 1.736 0 50 FDAA C=CC(=O)N(C)c1ccc(C(=O)NCCn2cc([C@@H]3CCOC3)cn2)cc1 1875373752 NUHWDHNCKCEQGL-MRXNPFEDSA-N 368.437 1.966 0 50 FDAA CSCCONC(=O)C[C@@H]1Cn2nc(-c3ccccc3)cc2NC1=O 1875326850 OZTQYKVMUSPETA-CYBMUJFWSA-N 360.439 1.919 0 50 FDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCN(CC4CCOCC4)CC3)n[nH]c21 1875394181 XLQFSKADLXHEDE-KGLIPLIRSA-N 362.474 1.616 0 50 FDAA Cc1ccc(CCNC(=O)N2CC[C@H](C3CC3)[C@H]2c2nnc(O)n2C)nc1 1875400482 BERSCFUUVJKTHU-CVEARBPZSA-N 370.457 1.949 0 50 FDAA Cc1oc(C(C)C)nc1C(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1nccn1C 886084783 HDHCVTRLUWKFAI-IUODEOHRSA-N 359.430 1.932 0 50 FDAA Cn1cc([C@]2(C)CN(C(=O)c3c[nH]nc3C3CCOCC3)CCO2)cn1 886074643 KAVBYQAKEXYCPK-SFHVURJKSA-N 359.430 1.425 0 50 FDAA CC(=O)NCc1cc(O[C@H]2CCN(Cc3ncc(Cl)n3C)C2)ccn1 886072120 TUHXSKJRTWQDNW-HNNXBMFYSA-N 363.849 1.758 0 50 FDAA N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cn(Cc3ccccn3)nn2)C1 888102350 ZPPNBRUSHBHHGN-ZWNOBZJWSA-N 354.336 1.216 0 50 FDAA CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1ccc(C(=O)C(C)C)cc1 888102249 INJSHLRCUOJRCM-KBPBESRZSA-N 354.428 1.459 0 50 FDAA Cc1cn2c(n1)CC[C@H](NC(=O)N1CCCC[C@@H]1CN1CCCC1=O)C2 2325764748 SXRHLZPTZIWAOW-JKSUJKDBSA-N 359.474 1.693 0 50 FDAA CC(C)CCn1c(CN2CCN3C(=O)CNC(=O)[C@H]3C2)nc2ccccc21 65373847 QKCBUDDHZUUZNX-QGZVFWFLSA-N 369.469 1.225 0 50 FDAA Cn1c(=O)c2c(nc(CN3CCCCC3)n2Cc2ccccc2)n(C)c1=O 808423 NJDPSRDRSHWWOT-UHFFFAOYSA-N 367.453 1.468 0 50 FDAA COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NCc1ccco1 2884491 RHSPLMWLJIKLAH-UHFFFAOYSA-N 352.412 1.534 0 50 FDAA CN(C)C(=O)N[C@H](NC(=S)N1CCOCC1)C(Cl)(Cl)Cl 3130728 CYIDJRSMJIAYIL-SSDOTTSWSA-N 363.698 1.161 0 50 FDAA COc1cncc(C(=O)N2CC[C@@H](c3cc(O)nc(N(C)C)n3)C2)c1C 864834188 GAGITPPTMJFVKY-GFCCVEGCSA-N 357.414 1.590 0 50 FDAA CN(C[C@@H]1CCc2nccn2C1)S(=O)(=O)c1ccc2c(c1)C(O)=NCC2 328631646 REMQSULJDPIQJL-ZDUSSCGKSA-N 374.466 1.627 0 50 FDAA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)C1=NN(C)C(=O)CC1 328614510 AGTKHZXZKBERSQ-JTQLQIEISA-N 371.363 1.531 0 50 FDAA CCOc1ccc2nc(CN3CC[C@@H](N4CCOCC4)[C@H](O)C3)ccc2c1 11820663 IMCZSMSEKUBACK-NHCUHLMSSA-N 371.481 1.901 0 50 FDAA Cc1ccc(S(=O)(=O)N2C[C@@H](N)C[C@H]2C(=O)NC(C)C)cc1Cl 67756886 QZXIQAZIWHLSFN-FZMZJTMJSA-N 359.879 1.263 0 50 FDAA Cn1cnnc1C1CCN(C(=O)NCC2(S(C)(=O)=O)CCCC2)CC1 331460449 YXXCODJKKDGOBY-UHFFFAOYSA-N 369.491 1.062 0 50 FDAA C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 252490560 KWXMKNXLAOWGHI-GFCCVEGCSA-N 364.471 1.549 0 50 FDAA Cn1ncc(Br)c1C(=O)N1N=C(C(F)F)C[C@@]1(O)C(F)F 1015965 WQPFSRNZZFYBOF-SNVBAGLBSA-N 373.104 1.603 0 50 FDAA CCn1ncc(NC(=O)c2nn(C)c(C)c2Br)c1C(N)=O 2780518 NOYOKRFKIAZADH-UHFFFAOYSA-N 355.196 1.059 0 50 FDAA NC(=O)c1cccnc1N1CCN(C(=O)CCc2ccc(F)c(F)c2)CC1 218994569 LDYPXVRBTCIVPQ-UHFFFAOYSA-N 374.391 1.740 0 50 FDAA O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc2c(c1)OCCO2 32123764 KBVZGTMSOVVHHU-AWEZNQCLSA-N 367.361 1.537 0 50 FDAA biogenic O=C(c1cc(=O)[nH]c(O)n1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 72422213 LUCWFVWGBAYRIZ-UHFFFAOYSA-N 358.442 1.202 0 50 FDAA COc1ccc([C@H](O)C(=O)N2CCCn3nc(CCC(=O)O)cc3C2)cc1 72479397 DDUPFGHUIWIBJT-SFHVURJKSA-N 373.409 1.375 0 50 FDAA O=C(Cc1csc2ccccc12)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 333722127 IJMMSDPXMNVDHM-HOCLYGCPSA-N 365.476 1.858 0 50 FDAA COC(=O)c1cc(C)nc2c1c(=O)n(CCOc1ccccc1)c(=O)n2C 12445559 JZEXNJXLOBJMDX-UHFFFAOYSA-N 369.377 1.269 0 50 FDAA COc1nc2c(cc1CNC(=O)[C@@H](N)C(C)(C)C)C(=O)N(C1CCCC1)C2 71759648 JVVXXBLUOXWWFF-MRXNPFEDSA-N 374.485 1.978 0 50 FDAA Cc1cc(-c2cn3cc(C(=O)N(C)C[C@H](C)O)nc3c(=O)n2C)c(C)o1 72436552 IWIBZNTYSBSUSL-JTQLQIEISA-N 358.398 1.363 0 50 FDAA CCn1c(CN2CCCC2)nnc1C1CCN(S(=O)(=O)CC)CC1 77524432 NNYBRCNKENQQIG-UHFFFAOYSA-N 355.508 1.423 0 50 FDAA Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N[C@@H]1CCCC[C@H]1N 128724973 AJKMEEHHMXHSBW-HZPDHXFCSA-N 351.472 1.535 0 50 FDAA O=C(CCNS(=O)(=O)c1ccccc1F)NC1CCC(C(=O)O)CC1 262045518 LXTKRTWIAYHVCV-UHFFFAOYSA-N 372.418 1.254 0 50 FDAA O=C(CN1CCN(c2ncnc3sccc23)CC1)NC[C@H]1CCCO1 157456921 GHORBWIXKQYARE-CYBMUJFWSA-N 361.471 1.109 0 50 FDAA CCCN1CCN(C(=O)Cc2ccccc2C)[C@H]2CS(=O)(=O)C[C@H]21 77376484 FQPPGKKWBPVZPT-SJORKVTESA-N 350.484 1.257 0 50 FDAA CCc1nc2cc(S(=O)(=O)N3CCOC[C@]34CCOC4)ccc2o1 374215491 FDJPLCFMMINJNV-MRXNPFEDSA-N 352.412 1.570 0 50 FDAA COc1ccc(CN2CCN(c3ccnc(N)n3)C[C@@H]2CCO)c(C)c1C 72428684 LARHHVBFZCDDOX-KRWDZBQOSA-N 371.485 1.757 0 50 FDAA O=C(O)[C@@H]1CCCN1C(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2 262714198 RABTUTXHNCBLKC-HNNXBMFYSA-N 351.424 1.415 0 50 FDAA CNCCN1C(=O)CC[C@H]2CN(C(=O)c3ccnc(C(C)C)n3)CC[C@H]21 77485649 VNJKRVQCXKYHPC-GOEBONIOSA-N 359.474 1.273 0 50 FDAA CC(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)CCCN(C)C)C1 71755276 VXRUNPGMZSSLEC-UHFFFAOYSA-N 368.485 1.831 0 50 FDAA Nc1nc2c(c(N3CCC[C@H](OCc4ccccn4)C3)n1)CCNCC2 72419048 OMASAEFPABGKKT-HNNXBMFYSA-N 354.458 1.328 0 50 FDAA Cc1ccc(N2CCCN(C(=O)c3cc(C)nc4c3cnn4C)CC2)nn1 175583879 OKNAIQHIOKWOLM-UHFFFAOYSA-N 365.441 1.728 0 50 FDAA Cc1nc([C@@H]2CCCN(C(=O)c3c[nH]c(=O)[nH]3)C2)cc(N2CCCC2)n1 72424773 FXBMFIXDOWERTI-CYBMUJFWSA-N 356.430 1.421 0 50 FDAA NC(=O)c1ccc(O[C@@H]2COCC[C@H]2NC(=O)Cc2cccc(O)c2)cc1 223283950 BLHMWHUYCISMFA-QZTJIDSGSA-N 370.405 1.386 0 50 FDAA CN(CCC(=O)N1CCc2c(Cl)cccc2C1)[C@H]1CCS(=O)(=O)C1 221257882 TWCNAEHPKJLYIV-AWEZNQCLSA-N 370.902 1.734 0 50 FDAA CC(C)N1CCC[C@@H](C(=O)N2CCN(c3ccc4nccn4n3)CC2)C1 426606709 GRBXLFPLTMIAKJ-MRXNPFEDSA-N 356.474 1.498 0 50 FDAA CCc1csc(CCNC(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)n1 426615568 PYZPJYPJOKCEPE-UHFFFAOYSA-N 361.471 1.744 0 50 FDAA Cn1c(COc2cccc3ccc(C(N)=O)nc23)nnc1[C@H]1C[C@@H](N)C1 220041620 GIQWMRDPSJERQX-HAQNSBGRSA-N 352.398 1.246 0 50 FDAA CC(C)Oc1ccc(-c2cccc(C(=O)N[C@@H]3CCCNC3=O)c2)nn1 426640554 UGUKYOBPMDYNJS-MRXNPFEDSA-N 354.410 1.939 0 50 FDAA COCc1nc(NCc2nc(-c3ccncc3)n[nH]2)cc([C@H]2CCOC2)n1 426548768 KUPMNQAJMXXGPK-ZDUSSCGKSA-N 367.413 1.919 0 50 FDAA O=C(NC1CCN(c2ccccc2)CC1)N1CCN(Cc2nc[nH]n2)CC1 426510583 DVUCVGWPLXDULG-UHFFFAOYSA-N 369.473 1.301 0 50 FDAA C[C@H](Cn1cccn1)NC(=O)N1CCN(CCc2ccccc2)C(=O)C1 426530434 NBJORHUATUNFLH-MRXNPFEDSA-N 355.442 1.368 0 50 FDAA CNc1nc(N2C[C@@H](NC(C)=O)[C@H](c3ccc(OC)cc3)C2)ncc1F 91587198 ZOLCHIIKPCOBCH-GOEBONIOSA-N 359.405 1.775 0 50 FDAA CC(C)c1cc(C(=O)N[C@@H]2CCN(Cc3cscn3)C[C@H]2O)on1 426407674 PIZXSMGRPMJXLK-TZMCWYRMSA-N 350.444 1.620 0 50 FDAA COCCN1CCC[C@@]2(CCN(c3ccc(CS(C)(=O)=O)cn3)C2)C1 426490440 HLGZSSSCVYMINE-GOSISDBHSA-N 367.515 1.565 0 50 FDAA CC(=O)[C@@H]1CC(C(=O)Nc2nnc3n2CCCC3)=NN1c1ccccc1 162814936 MKQCYDZNKCBYTI-HNNXBMFYSA-N 352.398 1.777 0 50 FDAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(Cc1noc(C3CCCC3)n1)CC2 95389377 VLQWITVLMYZXSL-ZDUSSCGKSA-N 362.430 1.625 0 50 FDAA Cc1cccc(=O)n1CCCNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 95508781 TXBGJYOHDGHGBG-INIZCTEOSA-N 368.437 1.107 0 50 FDAA COc1ccc(C)cc1NC(=O)N1C[C@H]2CC[C@@H]1CN(S(C)(=O)=O)C2 91595450 ORZRVDINHONSSR-UONOGXRCSA-N 367.471 1.891 0 50 FDAA COc1nc2c(cc1C(=O)N1C[C@@H](C(=O)O)[C@H](c3ncc[nH]3)C1)CCC2 95503146 ODEBLHRAKDYNSI-CHWSQXEVSA-N 356.382 1.242 0 50 FDAA CCn1c(Cn2ccnc2C)nnc1C1CCN(C(=O)COC(C)C)CC1 91974359 LMEZVFIMCRGHPK-UHFFFAOYSA-N 374.489 1.982 0 50 FDAA COc1cccc2c1OC[C@H](C(=O)N1CCC(N3CCOC3=O)CC1)C2 91526180 FHFZLDVPJUKMPJ-CQSZACIVSA-N 360.410 1.690 0 50 FDAA COc1ccc2[nH]c(CN3CCCN([C@H]4COC[C@@H]4O)CC3)c(C)c2c1 97785518 NVVOPJSYYCAFBB-PMACEKPBSA-N 359.470 1.752 0 50 FDAA Cn1ncc2c(O)nc(CN3CCC[C@@H](CNC(=O)c4ccco4)C3)nc21 95500751 HDCOSLZHKXLMRC-LBPRGKRZSA-N 370.413 1.304 0 50 FDAA CC(C)c1cc(C(=O)NCCc2cn3ccsc3n2)nc2ncnn12 91574897 BMRIGAZKISZSIX-UHFFFAOYSA-N 355.427 1.929 0 50 FDAA COc1c(C)cnc(CN(C)[C@@H]2CCN(c3cc(C)nn3C)C2=O)c1C 295257995 ZZTIGHPHXRJGDN-MRXNPFEDSA-N 357.458 1.986 0 50 FDAA O=C1COc2c(Cl)cc(NC(=O)NCCN3CCCOC3=O)cc2N1 96132809 NJTJCIHDZVYRBI-UHFFFAOYSA-N 368.777 1.635 0 50 FDAA Cc1ccc(C(=O)N2C[C@H]3CN(CCO)C[C@@]3(C(=O)O)C2)cc1Cl 91605101 OBAYAGOEIJTKSM-CXAGYDPISA-N 352.818 1.099 0 50 FDAA CO[C@@H]1CCOC[C@H]1NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 244787680 QBLKDTOVQOZUDC-GHMZBOCLSA-N 368.739 1.441 0 50 FDAA COCc1c(C(=O)N[C@H](c2ccc(OC)nc2)[C@H]2C[C@@H](O)C2)noc1C 252552431 USDHPVMHCOOQIO-DVOMOZLQSA-N 361.398 1.775 0 50 FDAA CCCS(=O)(=O)NC1CCN(C(=O)[C@H](c2ccccc2)N(C)C)CC1 299323637 NUJFIRPCLAYAFV-KRWDZBQOSA-N 367.515 1.610 0 50 FDAA C[C@@H]1CN([C@H](CNC(=O)C2(N)CC2)c2c(F)cccc2Cl)CCO1 269225684 DGDNCXMDVVSPJR-BXUZGUMPSA-N 355.841 1.848 0 50 FDAA O=C(O)CCN(C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C1CCOCC1 299747844 FIECPNJMFGXMQZ-CYBMUJFWSA-N 364.398 1.110 0 50 FDAA CN(C)CCN(CC(=O)O)C(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O 299753372 YAEUJLNSDJQAPJ-CQSZACIVSA-N 367.833 1.168 0 50 FDAA Cn1c(Cn2cccn2)nnc1[C@H]1C[C@H](NC(=O)c2ccncc2F)C1 252532832 FHHUSLQRNJFIBZ-HAQNSBGRSA-N 355.377 1.270 0 50 FDAA C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@]2(C)[C@H]1CC[C@]2(O)[C@@H](O)CO 253590772 JXCOSKURGJMQSG-BGQLQSPQSA-N 366.498 1.653 0 50 FDAA CC(C)NC(=O)c1ccc(Cl)c(NC(=O)N[C@H]2CCCNC2=O)c1 299799434 GJDRBICCVYIPSI-LBPRGKRZSA-N 352.822 1.878 0 50 FDAA O=C(CCc1ccncc1)NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2 299793606 HRNFTXUWNJJTJQ-UHFFFAOYSA-N 367.453 1.669 0 50 FDAA CC(C)Oc1ccc(N2C[C@@H](C(=O)NCCCn3ccnn3)CC2=O)cc1 299774951 JSLXCCNFTULPNW-HNNXBMFYSA-N 371.441 1.625 0 50 FDAA Cc1cc(NC(=O)N2CC[C@H](O)[C@@H](O)C2)n(Cc2ccc(Cl)cc2)n1 299787301 UINADSPNCGEGTE-GJZGRUSLSA-N 364.833 1.853 0 50 FDAA CCc1nc(C)c(CN2CCC[C@H](CNC(=O)c3ccc(=O)n(C)c3)C2)[nH]1 823550030 SYUCTXUKTSYMTF-OAHLLOKOSA-N 371.485 1.621 0 50 FDAA Cc1cc(C)n(C[C@@H](C)N2CCOC3(CCN(Cc4cnc[nH]4)CC3)C2)n1 821758487 FYPZBSYGTQCPJW-GOSISDBHSA-N 372.517 1.979 0 50 FDAA CC(C)CN1CCN(C(=O)NCc2ccc3nc[nH]c3c2)C[C@@H]1CCO 584901621 VVTUVNUOVYJNDM-INIZCTEOSA-N 359.474 1.797 0 50 FDAA CN1CCN(S(=O)(=O)NCC[C@H](c2ccccc2)c2ccco2)CC1 670458632 AQBVHAWSMKZBNA-QGZVFWFLSA-N 363.483 1.883 0 50 FDAA CNC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1oc3ccccc3c1OC)C2 952851299 XGILBUWDCWRQGY-BLVKFPJESA-N 358.394 1.666 0 50 FDAA NC(=O)[C@H]1CC[C@@H](C2CCN(C(=O)c3ccc(NC4CC4)nc3)CC2)O1 952888702 NNLNUFULFRVXMZ-JKSUJKDBSA-N 358.442 1.541 0 50 FDAA O=C(COCc1ccc(C(F)(F)F)cc1)N1CCOC[C@@H]1c1nn[nH]n1 1875274393 DWUZSFFUTFXXMC-GFCCVEGCSA-N 371.319 1.335 0 50 FDAA O=C(CCc1ccccc1C(F)(F)F)N1CCNS(=O)(=O)CC1 1875299838 XXVVBMTVLRJJNM-UHFFFAOYSA-N 350.362 1.400 0 50 FDAA O=C([C@@H]1Cc2cncn2C(=O)N1)N1CCC[C@@H](c2cccc(O)c2F)C1 1875299766 VHUHKRSWEKWGDX-RISCZKNCSA-N 358.373 1.616 0 50 FDAA COCCn1nc2c(c1C(=O)N1CCCc3n[nH]cc31)C[C@H](C)O[C@@H]2C 1875314566 GGMIUTCFRPRXBA-NWDGAFQWSA-N 359.430 1.868 0 50 FDAA Cc1nc(C(=O)N(C)CCCc2ccccn2)nc(N2CC[C@@H](N)C2)c1C 1875402037 ZORIAXSPSBTMCA-MRXNPFEDSA-N 368.485 1.731 0 50 FDAA COc1cccc(-c2ccc(C(=O)N[C@H]3CS(=O)(=O)C[C@@H]3OC)o2)c1 1565527958 ZWYVNIOUDCIMLR-BBRMVZONSA-N 365.407 1.497 0 50 FDAA CC(C)C1=NO[C@@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)C(=O)C2)C1 952973935 GWXSUQLJMXRCCX-QGZVFWFLSA-N 373.409 1.387 0 50 FDAA Cc1noc([C@H]2COCCN2C2CN(C(=O)c3cc(Cl)c[nH]3)C2)n1 888094826 DHYNPTHOAWOOBI-CYBMUJFWSA-N 351.794 1.257 0 50 FDAA O=C([C@@H]1COc2ccccc2O1)N1CC(OCc2nc(C3CC3)no2)C1 886096925 OQKQFNWKLLDCSV-HNNXBMFYSA-N 357.366 1.514 0 50 FDAA Cc1nc2ccccc2n1CCNC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 274887116 KPMRQQVJJNXREM-AWEZNQCLSA-N 361.467 1.676 0 50 FDAA COc1cccc([C@H](C)CC(=O)N2CCO[C@H](CN(C)CC(=O)O)C2)c1 275689412 MSLRBLYSHMOMSN-RHSMWYFYSA-N 364.442 1.433 0 50 FDAA C[C@H]1CN(C[C@@H](C)O)CCN1c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 170086242 BJURPTWZAIJLLU-UONOGXRCSA-N 368.441 1.000 0 50 FDAA CC(C)S(=O)(=O)N1CCC(Nc2ncncc2Br)CC1 408437307 SXCPIWJODVLPBP-UHFFFAOYSA-N 363.281 1.854 0 50 FDAA CCn1cc([C@@H]2CN(S(=O)(=O)c3cccc(COC)c3)CCO2)cn1 189229140 ULRRZKRHSJYIQE-KRWDZBQOSA-N 365.455 1.812 0 50 FDAA O=C(c1nnc(O)c2ccccc12)N1CCCN(C(=O)C2CCC2)CC1 1506414562 FXPDYOMIFCUHMN-UHFFFAOYSA-N 354.410 1.810 0 50 FDAA Cc1cc(C[C@@H]2CN(C(=O)c3cc4c(nc3O)CCCC4)C[C@@H]2O)on1 1704297024 CTNYLQFYKFNLRB-DYVFJYSZSA-N 357.410 1.638 0 50 FDAA CCN(CC)S(=O)(=O)c1cc(-c2cc(C(=O)O)n[nH]2)ccc1OC 1848442383 TYADVPOWVISSQX-UHFFFAOYSA-N 353.400 1.814 0 50 FDAA Cc1ccc(CN2C[C@H]3COC[C@@H]2CN(c2ncnc4[nH]cnc24)C3)o1 1772705122 PFPSXQZLKLVHSK-KGLIPLIRSA-N 354.414 1.592 0 50 FDAA COc1nccnc1N1CCCN(C(=O)c2cc(C(F)F)nn2C)CC1 1772805654 OGKACBQKINWVRS-UHFFFAOYSA-N 366.372 1.509 0 50 FDAA COC(=O)C1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 12001982 NWELBMWIAGUUCD-UHFFFAOYSA-N 366.439 1.387 0 50 FDAA CCN(CC)c1ncccc1CNC(=O)C1CCN(C(=O)N(C)C)CC1 12386075 YZSJILNUHUEMTQ-UHFFFAOYSA-N 361.490 1.938 0 50 FDAA CCOc1ccccc1NC(=O)CSc1nc2c(=O)[nH]cnc2n1C 12412500 LSLKLYOKHPEPMM-UHFFFAOYSA-N 359.411 1.786 0 50 FDAA biogenic,in-vitro CN(C)S(=O)(=O)N1CCC(C(=O)NCCCc2ccccc2)CC1 13673570 PYUBHEJMMPPDHF-UHFFFAOYSA-N 353.488 1.254 0 50 FDAA CC[C@@H](C(=O)N1CCN(CC)CC1)N(c1ccccc1)S(C)(=O)=O 13711528 FLZIKVLJQPPQLH-INIZCTEOSA-N 353.488 1.395 0 50 FDAA COc1cc(CN2CC(=O)N(Cc3cccnc3)C[C@@H](O)C2)ccc1F 14531853 VYYOKJSNTMUPCI-INIZCTEOSA-N 359.401 1.435 0 50 FDAA COc1ccc(C(C)(C)C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cc1 154690870 VNWCXDLUBKCHPK-BBRMVZONSA-N 368.499 1.807 0 50 FDAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1C[C@@H]2CCOC[C@]2(CO)C1 1857669177 IBFAFJNDPIYZCN-LAUBAEHRSA-N 369.465 1.889 0 50 FDAA CN(C)C[C@H]1[C@H]2CN(C(=O)Cn3cc4ccccc4n3)C[C@]23CC[C@H]1O3 1857710673 JTXPVAVPDZSYOQ-IXIUHKBRSA-N 354.454 1.604 0 50 FDAA O=C(c1ncccc1O)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857728868 PKKSXYLAUJSNDV-NBQZKYEYSA-N 365.389 1.702 0 50 FDAA O=C(COc1ccccc1)N[C@H]1C[C@H](C(=O)NCC2=CCCCC2)C[C@@H]1O 1875251357 ASEWXTKDKGKMFJ-WDSOQIARSA-N 372.465 1.938 0 50 FDAA Cc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(S(=O)(=O)N(C)C)C3)s1 212669902 NLOYLTLGWBOIGI-OLZOCXBDSA-N 357.501 1.399 0 50 FDAA CCC[C@@H](NS(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C)C(=O)O 414163542 GGMIXURIBQYRCG-LLVKDONJSA-N 362.835 1.540 0 50 FDAA CCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2cn(C(C)C)cn2)cn1 328635936 VDZPJDOLZDWYOQ-DZGCQCFKSA-N 353.448 1.489 0 50 FDAA CCN1CCN(S(=O)(=O)c2cccc(C(=N)O)c2)C[C@@H]1c1ncc[nH]1 328638408 WIQZVPLVNKTYOC-CQSZACIVSA-N 363.443 1.361 0 50 FDAA CC(=O)N1CCc2cc(C(=O)N3CCSC[C@H]3S(C)(=O)=O)ccc21 266089191 NBZQBUPSHQMNBG-OAHLLOKOSA-N 368.480 1.155 0 50 FDAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1cccc(Cl)c1F)C2 1704310512 YWDQMGOREQAPTK-QWRGUYRKSA-N 356.781 1.337 0 50 FDAA Cn1cc(O[C@@H]2COC[C@@H]2NCc2cnn(-c3ccc(F)cc3)c2)cn1 862494007 HGDZXYQAEZHMBO-ZWKOTPCHSA-N 357.389 1.681 0 50 FDAA Cc1nn(C)cc1Cc1nc(CC(N)=O)nn1-c1ccc2c(c1)CCC2 2100537977 ZTPYAPIWLFZRTE-UHFFFAOYSA-N 350.426 1.417 0 50 FDAA CCc1nccn1CCCNC(=O)c1ccc2nnc([C@H](O)C(C)C)n2c1 2100541288 ZMVQWOWZUDIBOD-QGZVFWFLSA-N 370.457 1.998 0 50 FDAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1cccs1 13153819 MXPSHXUSZHGSQS-FHIRATQRSA-N 354.424 1.914 0 50 FDAA CC(=O)Nc1ccc(CNC(=O)N2CCN(C(=O)C3CCC3)CC2)cc1 2325711828 PWRWYKKFNZOAJN-UHFFFAOYSA-N 358.442 1.799 0 50 FDAA C[C@H]1CN(C(=O)c2cn(C[C@@H]3CNCCO3)nn2)CCc2ccc(F)cc21 2325774709 KLBLLWGJARPDJI-BBRMVZONSA-N 373.432 1.208 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1n[nH]cc1-c1ccccc1 2325797179 XPVODFLLAMIBOQ-KBRIMQKVSA-N 351.410 1.843 0 50 FDAA C[C@@H]1CN(c2nnc(-c3ccon3)n2C[C@@H]2CCOC2)CCN1C1CC1 2325839862 HIEDTKKLKDNWHS-KGLIPLIRSA-N 358.446 1.643 0 50 FDAA C[C@H](CCC(=O)NCCN(C)C(=O)Cc1cc(C2CC2)on1)N(C)C 2325868143 PXTNOKXLOSUSQW-CYBMUJFWSA-N 350.463 1.399 0 50 FDAA CN1CCN(c2ncc(CNCc3cnc(O)c4ccccc34)cn2)CC1 922493865 QFVNFEWELIGLSR-UHFFFAOYSA-N 364.453 1.772 0 50 FDAA CN(C)C(=O)[C@@H]1CO[C@H](CNC(=O)C[C@@H]2OCCc3ccsc32)C1 2332238072 XTSCLCMVDLFNSP-IHRRRGAJSA-N 352.456 1.362 0 50 FDAA CNC(=S)N1CCNC(=O)[C@H]1CC(=O)Nc1cc(Cl)ccc1C 2228279 YXWXNLLYEJRQOK-GFCCVEGCSA-N 354.863 1.282 0 50 FDAA COCCNCCOCCOc1ccccc1I 2980690 FGSIKWRJMOSRBL-UHFFFAOYSA-N 365.211 1.923 0 50 FDAA CCOC(=O)N[C@H](O)C(Br)(Br)Br 3122343 OKSBFSIZGGGWKO-GSVOUGTGSA-N 369.835 1.889 0 50 FDAA Cc1nn(C)c(C)c1CN1CCN(C(=O)Cc2n[nH]c3ccccc23)CC1 115389311 QOJAMMLIGOVVMZ-UHFFFAOYSA-N 366.469 1.800 0 50 FDAA C[C@H](C(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(C)c1)c1cccs1 328629309 OQDSYZKMCAIKME-AAEUAGOBSA-N 353.469 1.583 0 50 FDAA Cc1nc(C2CCN(C(=O)c3scc4c3OCCO4)CC2)cc(=O)[nH]1 23478167 JHVLQFVCSHIFLQ-UHFFFAOYSA-N 361.423 1.931 0 50 FDAA CS(=O)(=O)N(C1CCC1)[C@@H]1CCCN(Cc2nccc(N)n2)CC1 328635399 NJGQRVCWAUYBNC-CQSZACIVSA-N 353.492 1.227 0 50 FDAA CC[C@@H](OC)C(=O)N1CCC(Cc2nn(C)c(=O)n2-c2ccccc2)CC1 67688740 GFGURFRXFNPING-QGZVFWFLSA-N 372.469 1.777 0 50 FDAA C[C@H](CC(C)(C)c1ccccc1)NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 248203423 XTDQORZTPWHLDP-WBVHZDCISA-N 366.527 1.978 0 50 FDAA CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1oc(COc2ccccc2)cc1C 67895511 NROMNWHJVFECBK-BBRMVZONSA-N 357.410 1.455 0 50 FDAA O=C(NC1CC1)c1cc2n(n1)CCN(C(=O)Cc1n[nH]c3ccccc13)C2 67755248 IWRHAXSELWDZBQ-UHFFFAOYSA-N 364.409 1.237 0 50 FDAA CCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)[C@]12CCCO2 332819580 YFENSCLPTIMXTI-PBOZHIJLSA-N 367.490 1.706 0 50 FDAA CNC(=O)Cn1nc(C(=O)N2CC[C@H](c3ccccc3C(=O)O)C2)cc1C 72168744 DGFGNGXGEQKCPH-ZDUSSCGKSA-N 370.409 1.265 0 50 FDAA COc1nc2c(cc1CNC(=O)[C@H](C)N(C)C)C(=O)N(C1CCCC1)C2 71748735 JZCMFUMZFMVGPF-LBPRGKRZSA-N 360.458 1.555 0 50 FDAA Cn1ccnc1[C@H](O)c1cc2n(n1)CCN(CCn1cc(Cl)cn1)C2 218815015 GYWVBVIHNCAZBX-OAHLLOKOSA-N 361.837 1.064 0 50 FDAA Cc1ccc2nc([C@H]3CCCN3C(=O)CN3C(=O)NC(=O)C3(C)C)[nH]c2c1 72432890 WXZWLRHDGAKWJR-CQSZACIVSA-N 369.425 1.865 0 50 FDAA COc1ccc([C@@H](NC(=O)Cc2cn3ccsc3n2)C2CC(O)C2)cn1 219782668 LKSMDELZBSKSPV-MKTAYPAQSA-N 372.450 1.970 0 50 FDAA CN(Cc1cccs1)C(=O)Cn1nc(C(F)F)c(S(C)(=O)=O)n1 239672736 BUYPLRHYWXQIEH-UHFFFAOYSA-N 364.399 1.339 0 50 FDAA O=C(C[C@@H]1COCCN1C(=O)/C=C/c1ccccc1)N1CCSCC1 72435882 DFHVRBOXWZCCTN-DKRLNXSXSA-N 360.479 1.893 0 50 FDAA CN(C)C(=O)NCC(=O)N(C)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 72153069 YTQFJKWUMRRAGC-QGZVFWFLSA-N 358.486 1.348 0 50 FDAA C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)Nc2ccccc2N2CCCC2=O)CC1=O 363273653 FGEUYDAQGFYFRO-DVOMOZLQSA-N 356.426 1.944 0 50 FDAA Cc1nn(C)cc1CC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 459808392 RRLYSGDDCGNTAV-UHFFFAOYSA-N 364.452 1.923 0 50 FDAA Cc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1 72115762 QPROBLUVACPJJW-AWEZNQCLSA-N 353.488 1.691 0 50 FDAA O=C(NCCNc1cc(N2CCOCC2)ncn1)c1ccc(Cl)cc1 72119150 HRHWTCFDXDNEMR-UHFFFAOYSA-N 361.833 1.809 0 50 FDAA COC[C@@H]1[C@@H](NC(=O)C(C)(C)NC(=O)c2cccs2)[C@@H]2CCO[C@@H]21 218998959 OVNSEWIABIZNCQ-XCCSTKFXSA-N 352.456 1.423 0 50 FDAA Cc1c(C(=O)N2CCO[C@]3(CNCCOC3)C2)n(C)c2c(C)cccc12 72123975 SOLMQURLLIYFNO-HXUWFJFHSA-N 357.454 1.626 0 50 FDAA Cc1cccnc1CN1CCN(C(=O)c2ccc3[nH]c(CO)nc3c2)CC1 72418754 ZQRHOLCHYBKWMQ-UHFFFAOYSA-N 365.437 1.717 0 50 FDAA Cc1nc(CNC(=O)Cn2nc(C)n(Cc3ccccc3)c2=O)cs1 77302756 KMIJZMCVOANFHV-UHFFFAOYSA-N 357.439 1.483 0 50 FDAA CCOC(=O)CCCC[C@@H]1SC[C@H](NC(=O)OC)[C@@H]1NC(=O)OC 16029472 GKCWBSANFAZKKX-GVXVVHGQSA-N 362.448 1.675 0 50 FDAA biogenic CS(=O)(=O)N1CCCN(c2nccc(CCC(F)(F)F)n2)CC1 71745988 VHQQTLZTMRQKHQ-UHFFFAOYSA-N 352.382 1.443 0 50 FDAA CC(C)NC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1 72165346 YRIJBLIEPWZBLL-AWEZNQCLSA-N 357.376 1.921 0 50 FDAA COc1ccc(C)cc1C(=O)N[C@@H]1CCN(Cc2c(C)noc2C)C[C@H]1O 426509234 CDNDXVWVSDOVPA-QZTJIDSGSA-N 373.453 1.974 0 50 FDAA COc1cccc([C@H]2CCN(C(=O)CN3CCCN(C)CC3)C2)c1OC 221454302 JOKWHTUZYVPEPW-INIZCTEOSA-N 361.486 1.657 0 50 FDAA COCCn1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3cccnc3)nc21 20605610 IFXBQPNUQKCRKG-UHFFFAOYSA-N 372.406 1.949 0 50 FDAA Cc1cccc(N2CCN(C(=O)[C@@H]3[C@H](C(=O)O)[C@H]4C=C[C@H]3O4)CC2)c1C 239310218 IGDJUVKHKVQMQL-ZJPYXAASSA-N 356.422 1.606 0 50 FDAA CC[C@@H]1C(=O)NCCN1C(=O)c1cccc(-c2ncccc2C(N)=O)c1 426501767 MXYMDTZXHZLOHX-OAHLLOKOSA-N 352.394 1.198 0 50 FDAA Cc1cccc2oc(CNC(=O)c3cc(S(N)(=O)=O)ccc3F)nc12 91951814 QDBCFODICRLZPR-UHFFFAOYSA-N 363.370 1.853 0 50 FDAA O=C1NCCN(C(=O)c2cc(=O)[nH]c3ccccc23)[C@H]1Cc1ccccc1 91518953 ZECFDSLSWKLEPK-SFHVURJKSA-N 361.401 1.711 0 50 FDAA Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCCN3CC(N)=O)cc2)n1 95499600 HPXQMFANYYRXRL-QGZVFWFLSA-N 355.442 1.767 0 50 FDAA Cc1nc([C@H](C)NS(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)n[nH]1 97425627 BMWGEWIYYUDXRA-NSHDSACASA-N 363.443 1.389 0 50 FDAA N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC2(CCC(=O)N(C3CC3)C2)CC1 91830223 KCBLPIPCBOEUDX-SFHVURJKSA-N 371.481 1.656 0 50 FDAA Cc1nnc(SCC(=O)N2CC[C@]3(CCCN(C(C)C)C3=O)C2)o1 91914724 FKXKBKYKUJTNFB-MRXNPFEDSA-N 352.460 1.720 0 50 FDAA CCc1cc(N2CCC(NCc3ccon3)CC2)nc(N2CCOCC2)n1 95508166 GNYUVLFAUSURLE-UHFFFAOYSA-N 372.473 1.622 0 50 FDAA Cc1cnccc1NCCNC(=O)[C@@H](c1cccnc1)N1CCOCC1 95381083 MIFGZPMPBPTLSQ-GOSISDBHSA-N 355.442 1.387 0 50 FDAA CCn1nc(CC(C)C)cc1C(=O)N1CCc2onc(C(=O)N(C)C)c2C1 91873397 PSZWWIWUSMKQKU-UHFFFAOYSA-N 373.457 1.990 0 50 FDAA Cn1c(C(=O)N2CCC[C@@H](c3nccn3CC(N)=O)C2)cc2ccccc21 95525960 SPNMZSOTOQKQGF-OAHLLOKOSA-N 365.437 1.880 0 50 FDAA CN1CC2(CCC1=O)CCN(CCCOc1ccc(C(N)=O)cc1)CC2 92002378 IPYUZFNKZYVAJK-UHFFFAOYSA-N 359.470 1.889 0 50 FDAA C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCOC3(CCCC3)C2)C1=O 268979164 CNXYXQGFQNOZDX-LJQANCHMSA-N 371.437 1.625 0 50 FDAA Cc1cc(S(=O)(=O)N[C@H]2C[C@H](c3nnc(CO)n3C)C2)c(C)s1 244794936 QWPIHAJPJAGASS-XYPYZODXSA-N 356.473 1.210 0 50 FDAA O=C1CN(c2cc([C@H]3C[C@@H](O)C3)ncn2)CCN1CCc1ccccc1 252571068 XQBQJWZYVUTBNE-CALCHBBNSA-N 352.438 1.606 0 50 FDAA Cc1cccnc1CN1CCN(Cc2nnc([C@H]3C[C@@H](N)C3)n2C)CC1 252518167 AFCKANOCWGGTJS-IYBDPMFKSA-N 355.490 1.041 0 50 FDAA CCCn1ncnc1[C@@H](C)NC(=O)CN1C(=O)COc2ccc(C)cc21 299796140 NITFONJMZFBINK-CYBMUJFWSA-N 357.414 1.599 0 50 FDAA O=C(C[C@@H]1NC(=O)c2ccccc21)NC1CCN(c2cnccn2)CC1 299777338 NIDCTAQGMWPURB-INIZCTEOSA-N 351.410 1.436 0 50 FDAA O=C(N[C@@H]1CCCN(C(=O)c2ccco2)C1)c1ccccc1-n1cncn1 828184105 FEAZANZOJQYVNH-CQSZACIVSA-N 365.393 1.895 0 50 FDAA CCc1ccccc1C(=O)NC[C@H]1C[C@H](c2nc(N(C)C)n[nH]2)C[C@H]1O 952849175 QGABVZHMLUTLJV-SQWLQELKSA-N 357.458 1.718 0 50 FDAA O=C(c1ccn2c(O)nnc2c1)N1Cc2ccccc2O[C@]2(CCOC2)C1 1875295896 UMHMPHVNRCMGGX-LJQANCHMSA-N 366.377 1.629 0 50 FDAA C[C@@H](C(=O)NCc1nn(C)c2c1CNCC2)c1cc2ccccc2nc1O 1875361213 QGIIFGFLOVMIRO-GFCCVEGCSA-N 365.437 1.740 0 50 FDAA O=C(CC1CCOCC1)NCCCc1cn(-c2ccc(C(=O)O)cc2)nn1 1875355528 MFKFYACLVQHUBD-UHFFFAOYSA-N 372.425 1.831 0 50 FDAA C=CC(=O)NCc1ccc(C(=O)N2CC[C@@]3(CCS(=O)(=O)C3)C2)cc1 1875367724 IMGYBMUUDIFKES-GOSISDBHSA-N 362.451 1.140 0 50 FDAA CC(C)Cc1cc(C(=O)N[C@H]2CCN(C(=O)c3ccccc3)C[C@@H]2O)on1 1565511145 NVJLDDFLLPEXES-IRXDYDNUSA-N 371.437 1.879 0 50 FDAA O=C(c1c[nH]c(=O)cn1)N1C[C@@H]2CC[C@H]1CN(CCCc1ccccc1)C2 1565529000 NQNRMXRNFZXADK-MSOLQXFVSA-N 366.465 1.939 0 50 FDAA O=C(c1cc(Cl)cnc1O)N1C[C@@H]2CC[C@H]1CN(c1ncccn1)C2 1565511662 QOSYWHZPUYPDDH-YPMHNXCESA-N 359.817 1.972 0 50 FDAA CCn1cc(CN2CCC3(CC2)CN(CCn2cnnc2C)CCO3)cn1 952969299 QBXDHCOBAGZQKA-UHFFFAOYSA-N 373.505 1.170 0 50 FDAA Cc1noc(C)c1-c1ccc(S(=O)(=O)N2CCC[C@@H](C(N)=O)C2)s1 952985704 CNFCSOSRQLIGKB-LLVKDONJSA-N 369.468 1.906 0 50 FDAA NC(=O)CN1CCC[C@@H](C(=O)NCC[C@H]2CCN(Cc3ccccc3)C2)C1 952964987 BAVQHOOHSKJFQW-RBUKOAKNSA-N 372.513 1.212 0 50 FDAA C[C@H](O)c1nc2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2[nH]1 952985452 BVQSBXGZVTZJKU-NSHDSACASA-N 363.377 1.965 0 50 FDAA O=C(c1cn([C@@H]2COC[C@H]2O)nn1)N1CC2(CCCC2)c2ccccc21 888093519 BOFCENGBGZVABH-IAGOWNOFSA-N 354.410 1.683 0 50 FDAA COc1ccccc1C[C@@H](C)N[C@H]1CCCN(c2nccn(C)c2=O)C1 275726441 ZJDCVJFJNQGZOA-WBVHZDCISA-N 356.470 1.979 0 50 FDAA CS(=O)(=O)CC[C@H]1NC(=O)N(CCC2Cc3ccccc3C2)C1=O 170592682 MYZYOQAGWUJAEV-OAHLLOKOSA-N 350.440 1.147 0 50 FDAA C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2nc3ccccn3n2)C1=O 776215389 BNKRCSQOVHMQAD-GOSISDBHSA-N 364.365 1.135 0 50 FDAA COC[C@H]1CCCN(S(=O)(=O)NCCc2c[nH]c3ccccc23)C1 1506431778 YOYXPMCHVKUHNR-AWEZNQCLSA-N 351.472 1.903 0 50 FDAA CN(CC1CCN(Cc2ccccc2)CC1)C(=O)CCCS(N)(=O)=O 1506406243 FMXKIBSMSCUPMG-UHFFFAOYSA-N 367.515 1.426 0 50 FDAA OC[C@@]1(Cc2ccccc2)CN(Cc2nc(C(F)(F)F)no2)CC[C@@H]1O 1529133676 VNYCAMKDNWPDHH-XJKSGUPXSA-N 371.359 1.876 0 50 FDAA Cc1ccc(C(=O)N2CCCN(C(=O)CCCc3cn[nH]c3)CC2)cn1 1529126945 UJFMJKUMTRYQMZ-UHFFFAOYSA-N 355.442 1.811 0 50 FDAA Cn1nccc1CCC(=O)N1CCCN(C(=O)CCc2cccnc2)CC1 1704338894 JNRDLTAKHSKPCI-UHFFFAOYSA-N 369.469 1.441 0 50 FDAA Cc1ccc(S(=O)(=O)N2CCN(C[C@@H]3CCC(=O)N(C)C3)CC2)cc1 1772808302 MBPQRYUXGLQHIP-MRXNPFEDSA-N 365.499 1.170 0 50 FDAA COc1ccccc1-c1ncc(CN2CC[C@@]3(CNC(=O)CO3)C2)cn1 1772819035 NTUGYZNCUHPLDA-LJQANCHMSA-N 354.410 1.243 0 50 FDAA COc1ccccc1CCC(=O)Nc1cnn(CC(=O)N2CCCO2)c1 12040965 PCSWIAJIQSBCQA-UHFFFAOYSA-N 358.398 1.627 0 50 FDAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCCOC(C)C)cc1 14975143 RNRLKDVKQCOXAR-SFHVURJKSA-N 361.486 1.617 0 50 FDAA CCCN(C)S(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)O)CC2)c1 16623239 CDNKSWJGRQUUSC-UHFFFAOYSA-N 368.455 1.654 0 50 FDAA CCCOc1cc(C)c(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1C 16651943 VPQTVRXSVYSBNA-UHFFFAOYSA-N 354.472 1.978 0 50 FDAA COc1ccc(C(=O)N2CCN(C[C@@H](O)COc3ccccc3)CC2)cc1 19229469 MMWLIQYSESDIEH-GOSISDBHSA-N 370.449 1.893 0 50 FDAA O=S(=O)(NCCCN1CCOCC1)c1cc(Cl)ccc1Cl 19619381 GPYSDVMDFYKFTC-UHFFFAOYSA-N 353.271 1.994 0 50 FDAA CC(C)N1CCN(Cc2ccc(Sc3nncn3C)o2)C[C@@H]1CCO 19641753 QBYWCFCCIIMHEM-AWEZNQCLSA-N 365.503 1.836 0 50 FDAA COc1ccc(-n2nc(CC(N)=O)nc2-c2cc(C)ncc2OC)cc1 1857675694 CNOLFBVJUSTWLR-UHFFFAOYSA-N 353.382 1.683 0 50 FDAA CCc1nccn1CCC(=O)N1CC[C@H]2[C@@H]1CC(=O)N2CC1CCOCC1 1857690118 AQNNBVPXRRSKFQ-IRXDYDNUSA-N 374.485 1.464 0 50 FDAA COCC1CCN(C(=O)[C@@H]2CC(=O)N(c3nnc(C(C)C)s3)C2)CC1 1857695622 RIOHBVAKWYUGJG-CYBMUJFWSA-N 366.487 1.899 0 50 FDAA O=C(Cn1c(C2CC2)nc2ccccc21)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1875247091 XJAQZBBESQEOSA-UZLBHIALSA-N 366.421 1.473 0 50 FDAA CCc1cc(C)c(C(=O)N2CCS(=O)(=O)C[C@@H]2c2cnn(C)c2)o1 328625994 LHWJMLOVRHHIQL-CQSZACIVSA-N 351.428 1.496 0 50 FDAA CC(C)(C)c1nc(CN2CCN(S(=O)(=O)[C@H]3CCOC3)CC2)cs1 329582530 VLKOUAWAGULFAZ-AWEZNQCLSA-N 373.544 1.677 0 50 FDAA O=C1CC[C@H](C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C(F)(F)F)CN1 1857528004 SFYHOCHXMZZJKV-KKUMJFAQSA-N 369.387 1.692 0 50 FDAA CC[C@H](NS(=O)(=O)c1nnn(C)n1)C1CCC(C(F)(F)F)CC1 2325783781 AOVKQELCFQCTPS-RTBKNWGFSA-N 355.386 1.636 0 50 FDAA O=C1NC[C@@H](CNC(=O)C2(Cc3cccc(Cl)c3)CCNCC2)O1 2325797748 PWSKYMICQCRPGF-CQSZACIVSA-N 351.834 1.477 0 50 FDAA CCn1ncnc1C(=O)N1CSC[C@H]1C(=O)Nc1ncc(C)s1 2325804456 QNVOKLIWARMFQF-VIFPVBQESA-N 352.445 1.217 0 50 FDAA C[C@H](CN=c1nc2sccc2c[nH]1)CNC(=O)[C@@H]1CC(C2CC2)=NO1 2325823820 FUIXEYHQVSJWIJ-HZMBPMFUSA-N 359.455 1.832 0 50 FDAA C[S@@](=O)(=NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=O)C1CCCC1 2325851151 QEFPNZAWNKPSBD-BSEYFRJRSA-N 353.444 1.539 0 50 FDAA CCOCCn1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 1818417 ANOLAKJHTIHUOH-UHFFFAOYSA-N 360.439 1.752 0 50 FDAA CN(C)S(=O)(=O)N1CCC[C@@]12CCCN(CCc1ccccc1)C2=O 2356164794 HFVZKRHSLRPIMB-GOSISDBHSA-N 365.499 1.493 0 50 FDAA CN(C)S(=O)(=O)CCCN1C[C@@H]2[C@@H](CCC[C@@]2(O)c2ccccc2)C1 2356167235 KPPIBCFIRWDHSQ-QXAKKESOSA-N 366.527 1.888 0 50 FDAA C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@]2(C)[C@@H]1CC[C@]2(O)C(=O)CO 4096742 SYGWGHVTLUBCEM-ULOAYCBASA-N 364.482 1.862 0 50 FDAA CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)COc2ccc(C)cc2)C1 107042994 SJIBEACJDRDPGG-CVEARBPZSA-N 368.499 1.940 0 50 FDAA CS(=O)(=O)N1CCCc2cc(C(=O)N[C@H]3CC[C@H](C(=O)O)C3)ccc21 225553650 DRFQJPADNBVAOB-KBPBESRZSA-N 366.439 1.382 0 50 FDAA CCc1cn[nH]c1C1CCN(C(=O)c2ccc(-n3cnnc3)nc2)CC1 67692881 YYDIFJHCSSKJAU-UHFFFAOYSA-N 351.414 1.968 0 50 FDAA CNS(=O)(=O)CCNc1nccc(-c2cnn(-c3ccccc3C)c2)n1 23506040 IJFVZXISYFARST-UHFFFAOYSA-N 372.454 1.599 0 50 FDAA O=C(NCCN1CCOCC1)[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 20481071 GQPSDTALPGBQND-OAHLLOKOSA-N 372.252 1.935 0 50 FDAA O=C(c1cc(CN2CCC(O)CC2)on1)N1CCOc2ccccc2C1 67654723 MNUAKTCJOCPPEV-UHFFFAOYSA-N 357.410 1.666 0 50 FDAA CC(C)N1CCO[C@@H](CN2CCN(C(=O)C[C@@H]3CCC(=O)[C@H]3C)CC2)C1 330036209 YCMOZUZLZHUGGH-BZSNNMDCSA-N 365.518 1.245 0 50 FDAA Cn1nncc1S(=O)(=O)N1CCC[C@@H](COc2ccccc2Cl)C1 330091083 PPTLOWJPPOUVIO-GFCCVEGCSA-N 370.862 1.948 0 50 FDAA O=C(NCCNC(=O)[C@H]1CCC(=O)N(C2CCCC2)C1)c1cccnc1 215158880 MLRWKPAHWZTPAG-HNNXBMFYSA-N 358.442 1.109 0 50 FDAA O=C1CC[C@]2(CCCN(C(=O)Cc3cc(F)cc(F)c3)C2)CN1CCO 77337611 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354.458 1.363 0 50 FDAA CC(C)c1nc(S(=O)(=O)Nc2ccc(C[C@H](N)C(=O)O)cc2)cn1C 2325851588 CWSDWNVQBISQCW-ZDUSSCGKSA-N 366.443 1.299 0 50 FDAA CO[C@@H]1CC[C@H]2OCCN(C(=O)CCc3c(C)nc4ncnn4c3C)[C@H]2C1 126760300 VPOYXEMLABVTKX-HYVNUMGLSA-N 373.457 1.469 0 50 FDAA COC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 1137050 XGDNTEMKHQYIIS-UHFFFAOYSA-N 369.180 1.230 0 50 FDAA O=C(CCn1cnnn1)N1CCC[C@]12CCCN(Cc1ccccc1)C2=O 2356149272 RSBZEELMNGMTNS-IBGZPJMESA-N 368.441 1.247 0 50 FDAA CC(C)CC[C@H]1[C@H]2C[C@H](CN(C(=O)CNC(N)=O)C2)c2cccc(=O)n21 2356161543 ZJPKDFXLSIBYSV-YCPHGPKFSA-N 360.458 1.440 0 50 FDAA COCCn1c(=O)c2c(nc3n(Cc4ccccc4)c(C)cn23)n(C)c1=O 8617912 JISQLCKEAGQXJP-UHFFFAOYSA-N 367.409 1.153 0 50 FDAA Cc1nc2c(c(N3CCN(C)[C@@H](CCO)C3)n1)Cc1ccccc1OC2 108401464 WUOHNXNPFOEIAD-INIZCTEOSA-N 354.454 1.771 0 50 FDAA Cc1nc(-c2ccc(S(=O)(=O)N[C@H]3CCc4ncnn4C3)cc2)co1 117365360 ZIBAHCUWUOCRMT-ZDUSSCGKSA-N 359.411 1.535 0 50 FDAA COCCN1C[C@H](C(=O)N(C)C2CCN(Cc3ccccc3)CC2)CC1=O 113095679 WJDCPRIJGMIGLW-GOSISDBHSA-N 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DOWZYXVWMMSKQH-OKILXGFUSA-N 354.472 1.458 0 50 FDAA Cc1cccc(-n2cc(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)nn2)c1 159293657 APURBFWQAPQFNZ-SFHVURJKSA-N 361.405 1.628 0 50 FDAA COCc1nc([C@H]2CN(C(=O)C(C)(C)n3cccn3)C[C@@H]2C2CC2)n[nH]1 952888295 OYYHDSBHPQMGQG-KGLIPLIRSA-N 358.446 1.535 0 50 FDAA NC1CCC2(CC1)C[C@H]2C(=O)NC[C@H](O)CN1CCc2ccccc2C1 1875278003 SMVDVUBKQFVQMH-JMDAGXMHSA-N 357.498 1.429 0 50 FDAA O=C(Nc1cccc(Cn2cccnc2=O)c1)N1CCN2CCC1CC2 1875261361 CQAZAWUFVXDTQK-UHFFFAOYSA-N 353.426 1.604 0 50 FDAA N=c1nc(N2CCC(OC[C@@H]3CCOC3)CC2)[nH]c(=Nc2ccccc2)[nH]1 1875273529 GVNZNUQTPCBKRP-CQSZACIVSA-N 370.457 1.472 0 50 FDAA COC[C@H](C)CNC(=O)[C@@H]1CC[C@H](n2cc(-c3ccc(N)cn3)nn2)C1 1875353418 RXWSNKUIGVGSEU-NFAWXSAZSA-N 358.446 1.662 0 50 FDAA CN(Cc1cnc(-n2cccn2)s1)C(=O)c1ccc2c(c1)CNC2=O 1875320645 IZUFEDBFYBRSSW-UHFFFAOYSA-N 353.407 1.844 0 50 FDAA Cc1nc(O)cc(-c2ccc(NC(=O)NC[C@@H]3C[C@H](O)CN3C)cc2)n1 1875309741 LKWVDGMCJGMZQA-GJZGRUSLSA-N 357.414 1.344 0 50 FDAA Cc1ncc(CC(=O)N(C)[C@@H]2CCCN(C(=O)CCc3cc[nH]n3)C2)o1 1875359690 MTWRJRGSJGFHET-OAHLLOKOSA-N 359.430 1.331 0 50 FDAA Cc1ccn2cc(C(=O)N3CCc4c(cnn4C)[C@H]3C(=O)N(C)C)nc2c1 1875394791 WTESGDJJUULURN-KRWDZBQOSA-N 366.425 1.204 0 50 FDAA O=C(OCc1ccccc1)C1CN(C(=O)c2nc(=O)c3ccccc3[nH]2)C1 1875359663 MBSKPHAPVGUZKI-UHFFFAOYSA-N 363.373 1.739 0 50 FDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(Cn4ccnn4)CC3)nn(C)c21 1875300287 WHQSRNNBVCWRKI-OLZOCXBDSA-N 358.446 1.586 0 50 FDAA Cc1ccn(CC(=O)NC[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)c(=O)c1 886081892 CALZVKKMOPRYAT-BEFAXECRSA-N 358.442 1.401 0 50 FDAA Cc1ncc2c(n1)CCC[C@@H]2NC(=O)CCc1nc(O)c2cnn(C)c2n1 1321879849 LTRVHUAMUOYNRG-AWEZNQCLSA-N 367.413 1.294 0 50 FDAA C[C@@H]1CCS[C@@H]1C(=O)N[C@@H]1CCOC[C@@H]1Nc1cc(N(C)C)ncn1 2325770118 FLASAIGBLFAPDI-FOCJUVANSA-N 365.503 1.370 0 50 FDAA Cc1cc(CC(=O)NCC2CC(NC(=O)c3cc(C4CC4)[nH]n3)C2)on1 2325825064 BQIHEVWSMUSTIB-UHFFFAOYSA-N 357.414 1.451 0 50 FDAA O=C(N[C@H]1C[C@@H](NC(=O)c2cccn3nccc23)C1)c1cccn2nccc12 2325854363 ZZGPUUXSOBKHOE-OKILXGFUSA-N 374.404 1.673 0 50 FDAA NCc1ccc(CN=c2ccc3nnc(Br)n3[nH]2)c(F)c1 2325860137 YYFMEJUDYJWOAJ-UHFFFAOYSA-N 351.183 1.519 0 50 FDAA Cn1cnc(C(=O)N2CCC[C@@]23CCN(C(=O)Cc2cncs2)C3)c1 2325873485 IWAUMNZPAGXFRK-KRWDZBQOSA-N 359.455 1.326 0 50 FDAA Cc1ccc(C(=O)Nc2ccon2)cc1S(=O)(=O)N1CCOCC1 1059428 OHPQRLBETDNRFB-UHFFFAOYSA-N 351.384 1.256 0 50 FDAA NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(F)c(F)c2)cc1 1507514 OLASJLDYGGIIRB-UHFFFAOYSA-N 371.390 1.739 0 50 FDAA Cc1sc2nc(SCC(=O)NCCOCCO)nc(N)c2c1C 1895697 HOYFFJLUYUZTDO-UHFFFAOYSA-N 356.473 1.108 0 50 FDAA COCCn1cnnc1[C@H](C)NC(=O)c1ccc(-c2cncc(N)n2)cc1 2356149916 YIVZSTYYROUMHM-LBPRGKRZSA-N 367.413 1.455 0 50 FDAA CC[C@]1(O)CCC[C@H]2CN(C(=O)Cc3ccc(-n4cnnn4)cc3)C[C@H]21 2356150230 RZODROUIDWHUEC-WDYCEAGBSA-N 355.442 1.604 0 50 FDAA Cc1nnc(NC(=O)c2cccc(C(=O)Nc3nnc(C)s3)n2)s1 3107769 PSELXRGQJFFQPO-UHFFFAOYSA-N 361.412 1.906 0 50 FDAA COCCCn1c(C)cn2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc12 4251076 CHWFRJLMGDZFHX-UHFFFAOYSA-N 361.446 1.540 0 50 FDAA O=C(O)c1ccc(NCCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c([N+](=O)[O-])c1 4755298 SGXXIJCJFNIXRC-VXGBXAGGSA-N 359.338 1.656 0 50 FDAA Cc1ccc(N([C@H](C)C(=O)N2CCOCC2)S(C)(=O)=O)cc1Cl 65363344 JLCDKXWRMGNNDH-GFCCVEGCSA-N 360.863 1.662 0 50 FDAA Cc1ccc(C(=O)N2Cc3c(-c4ccncc4)nc(N)nc3[C@H]2C)c(=O)[nH]1 65407380 YWZYHNLQVRHMGE-LLVKDONJSA-N 362.393 1.835 0 50 FDAA COc1cc(C)ccc1OCc1nc(C(=O)N[C@H](C)c2nnn[nH]2)co1 67947906 FCUVKJISBYJUDC-SNVBAGLBSA-N 358.358 1.575 0 50 FDAA Cc1c(CN2CCN(c3ncccn3)CC2)c(=O)n(-c2ccccc2)n1C 23281793 SCTMJTSMKZBKDJ-UHFFFAOYSA-N 364.453 1.597 0 50 FDAA O=C([C@H]1CCCN(c2ccccn2)C1)N1CCC(c2cc(=O)[nH]cn2)CC1 23339380 QNMXLMLBRDFELJ-INIZCTEOSA-N 367.453 1.788 0 50 FDAA CCN(CCC(=O)Nc1nnc(C2CC2)s1)[C@@H]1CCS(=O)(=O)C1 65375682 MCPXKXUUOYQCEE-LLVKDONJSA-N 358.489 1.253 0 50 FDAA COC1CCC(C(=O)N2CCC(Cn3cc(CCO)nn3)CC2)CC1 67847349 GUNCPMACGCGUSV-UHFFFAOYSA-N 350.463 1.257 0 50 FDAA CCc1cn[nH]c1C1CCN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(C)C(=O)[C@@H]24)O3)CC1 67850510 JJALZZWWGPHHGC-MFCZKXCZSA-N 370.453 1.090 0 50 FDAA CCOc1ncccc1C(=O)N1CCC(Cc2nn(C)c(=O)n2CC)CC1 67909617 AJSZOCHVNOSIGG-UHFFFAOYSA-N 373.457 1.490 0 50 FDAA Cn1ncc2c(O)c(C(=O)NCc3cccc(N4CCCC4=O)c3)cnc21 119155540 DIKKVXLJZQBWTP-UHFFFAOYSA-N 365.393 1.731 0 50 FDAA Cc1nnc(Cn2nc(C3CCNCC3)n(Cc3ccccc3)c2=O)s1 67894296 KJAVSGZZRKPPGQ-UHFFFAOYSA-N 370.482 1.768 0 50 FDAA CCn1ncc(NC(=O)c2noc3c2CCCC3)c1C(=O)N1CCOCC1 2808390 YMUWRXCMPGWGNZ-UHFFFAOYSA-N 373.413 1.495 0 50 FDAA COc1ccc(C(=O)NCC(=O)NCCOC(=O)c2ccccc2F)cc1 3052523 UGWXZRJLTBLGNS-UHFFFAOYSA-N 374.368 1.537 0 50 FDAA CN(C[C@@H]1COCCO1)C(=O)c1cccc(S(=O)(=O)NC2CCC2)c1 215817168 UCMPTEXLLRXWPS-OAHLLOKOSA-N 368.455 1.005 0 50 FDAA Cn1ccnc1CN(C(=O)C[C@@H]1C(=O)NCCN1CC(C)(C)C)C1CC1 72125319 IABIAMNZALPJCU-OAHLLOKOSA-N 361.490 1.148 0 50 FDAA COc1cc(C(=O)N2CCC(c3nnc(CN(C)C)n3C)CC2)ccn1 77490101 AMRCMQCXVWSNGU-UHFFFAOYSA-N 358.446 1.300 0 50 FDAA CSCC[C@@H](NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(=O)O 6408270 OQKPFTGTVANENL-FRRDWIJNSA-N 365.455 1.183 0 50 FDAA biogenic O=C(c1ccc(=O)[nH]c1)N1CCN(CCCc2ccccc2)[C@@H](CCO)C1 72426685 DHZCEOHLELEHBK-IBGZPJMESA-N 369.465 1.517 0 50 FDAA CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)c2cc(C)oc2C)cn1 328631291 QULAXWQMLWCXDI-HNNXBMFYSA-N 351.428 1.725 0 50 FDAA CN(CCO)C(=O)[C@@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 71776687 QNKIPWZZAOGPCT-HXUWFJFHSA-N 373.541 1.856 0 50 FDAA O=C(c1ccc(F)cc1)N1CCN(c2cc(-n3cccn3)ncn2)CC1 35597278 QAAAALRRZATGCK-UHFFFAOYSA-N 352.373 1.764 0 50 FDAA COc1ccc(CN2CCN(C(=O)CCc3c(C)n[nH]c3C)CC2=O)cc1 77504624 UAXKACCAEBTYPR-UHFFFAOYSA-N 370.453 1.839 0 50 FDAA COc1ccc2cc([C@H]3CN(C(=O)CCn4cnnn4)CCO3)ccc2c1 71614331 FNEAKWLRANFDIU-GOSISDBHSA-N 367.409 1.825 0 50 FDAA Cn1c(=O)n(C)c2cc(S(=O)(=O)NC3(C)Cc4ccccc4C3)ccc21 123853591 CUFMJAIKVIBUKL-UHFFFAOYSA-N 371.462 1.713 0 50 FDAA C[C@H](Cc1cnccn1)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 32541419 NZKGQZRWJBWERC-VXGBXAGGSA-N 360.364 1.855 0 50 FDAA Cc1cc(C)c(CN2C[C@H]3C(=O)NC[C@@]3(C(=O)O)C2)c(-n2cccn2)c1 72423079 LWULPJTXYDLOHO-HNAYVOBHSA-N 354.410 1.122 0 50 FDAA Cc1nc(CN2CCN(C(=O)C[C@@H]3C=CS(=O)(=O)C3)CC2)cs1 219010915 WXIJBJUOXQFDMJ-ZDUSSCGKSA-N 355.485 1.044 0 50 FDAA O=C1[C@H](N2C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C2=O)CCN1C1CCOCC1 375049055 LMDHNTRJLRZUIX-HNKHHVNMSA-N 361.442 1.362 0 50 FDAA Cc1nccc(N2CCC[C@H](c3nnc(CN4CCC(O)CC4)n3C)C2)n1 72410581 FMSVNLBBYIREOE-HNNXBMFYSA-N 371.489 1.254 0 50 FDAA CCCc1nn(-c2ccccc2)c(=O)n1CC(=O)NCc1c(C)noc1C 77303666 CNNPUIOZQVLMOE-UHFFFAOYSA-N 369.425 1.908 0 50 FDAA C[C@H](Cc1ccncc1)NS(=O)(=O)c1cccc(C(=O)NCCF)c1 215621455 AJHGYCSYHRAOQA-CYBMUJFWSA-N 365.430 1.690 0 50 FDAA Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)CCc1cnccn1 219781714 AACMDWJAPXAJMV-IAGOWNOFSA-N 360.414 1.505 0 50 FDAA Cc1ccc2c(c1)c(CNC(=O)[C@H]1CC3(CCNCC3)CN1C)nn2C 72453754 ZBHTYPUSHAXLGX-GOSISDBHSA-N 355.486 1.572 0 50 FDAA CN1CC[C@@H](CNC(=O)c2ccnc3c2ncn3C)[C@@H]1c1cccnc1 377302179 AUVXRLQUGMIVQZ-YOEHRIQHSA-N 350.426 1.786 0 50 FDAA COC(=O)c1ccc(CN2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)[nH]1 377890024 RMSQZJRJHVMODA-ZFWWWQNUSA-N 369.421 1.810 0 50 FDAA COCC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)N(C)C)CC2)cc1 47991853 NWBJMXNVNMEOGK-UHFFFAOYSA-N 362.430 1.604 0 50 FDAA COc1nc2c(cc1C(=O)N1CCC(n3cc(CCO)nn3)CC1)CCC2 48488354 OWIFJFYIKIAHGB-UHFFFAOYSA-N 371.441 1.183 0 50 FDAA COCc1nc2n(n1)C[C@H](NC(=O)Cc1cnn(-c3ccccc3)c1)CC2 177474353 VVUGPUZCHZSNGJ-OAHLLOKOSA-N 366.425 1.284 0 50 FDAA Cc1ccn2ncc(C(=O)N[C@@H]3CCCN(C(=O)N4CCCC4)C3)c2n1 288463342 OICKSXJPYCGRRF-CQSZACIVSA-N 356.430 1.448 0 50 FDAA O=c1ccc(-c2ccccc2)nn1CCNc1cc([C@H]2CCOC2)ncn1 426486545 XTHZENNUASWSCF-INIZCTEOSA-N 363.421 2.316 0 50 FDAA COCC(=O)N1C[C@@H]2CN(Cc3cc(C)ccc3F)C[C@]2(C(=O)O)C1 96163747 OTQHLCMIFQFYDQ-KSSFIOAISA-N 350.390 1.126 0 50 FDAA Cc1nn(CC(=O)NCCc2cn3ccsc3n2)c(=O)c2ccccc12 91747081 IFOYUQPHJLKGJG-UHFFFAOYSA-N 367.434 1.773 0 50 FDAA Cn1c(CO)nnc1C1CCN(Cc2nc(-c3ccccc3)no2)CC1 97475609 BYJVOLWNQNIUAV-UHFFFAOYSA-N 354.414 1.737 0 50 FDAA COCCc1noc([C@@H](C)NC(=O)c2cc(-c3ccc(O)cc3)n[nH]2)n1 91665135 PEMYSPUKHUUHBN-SNVBAGLBSA-N 357.370 1.845 0 50 FDAA COc1ccc2c(c1)CCN(C(=O)[C@H]1CC(=O)N(CCN(C)C)C1)CC2 95355479 GOOSSRQEFTWHEU-KRWDZBQOSA-N 359.470 1.033 0 50 FDAA CN1C[C@H]2CN(C(=O)c3ccc(CN4CCCCC4)cc3)C[C@@]2(C(=O)O)C1 96161066 SAFAEGZTXBJDDH-RXVVDRJESA-N 371.481 1.761 0 50 FDAA COCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H](C)Cn2cncn2)c1 96137643 HLEVATRIQLNENS-JTQLQIEISA-N 366.809 1.727 0 50 FDAA CN1CCN2CCN(C(=O)COc3ccc(Cl)cc3Cl)C[C@@H]2C1=O 91289594 OWUYXMJLGHVACC-CYBMUJFWSA-N 372.252 1.357 0 50 FDAA CSCc1ccc(C(=O)N2CCC3(CC2)[C@@H](C(=O)O)CC(=O)N3C)o1 95381294 YNMHNWWLOUNXJJ-GFCCVEGCSA-N 366.439 1.680 0 50 FDAA O=C1C[C@H](C(=O)N2CCN(C3CCCC3)C(=O)C2)CN1Cc1cccnc1 95385992 IYULBBCAWOSDMY-INIZCTEOSA-N 370.453 1.044 0 50 FDAA O=C(O)c1cc(OCC2CCC2)cc(C(=O)N[C@@H]2C=CS(=O)(=O)C2)c1 97675381 HNPQUEJHGCSKMB-CQSZACIVSA-N 365.407 1.604 0 50 FDAA Cc1nccn1Cc1nnc([C@H]2CCCN(C(=O)N3CCCC3)C2)n1C 95358399 QDRCBQXSGGQABB-HNNXBMFYSA-N 357.462 1.764 0 50 FDAA C[C@@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1nnc(N)s1 244601844 DSTNQCJZOVEKQF-MRVPVSSYSA-N 355.445 1.007 0 50 FDAA COc1ccccc1CNC(=O)CCN1CCN(C(=O)c2ccc[nH]2)CC1 252479552 BHKUFUKEBREPST-UHFFFAOYSA-N 370.453 1.488 0 50 FDAA COc1cccc(-n2cc(C(=O)N3CCOC[C@@H]3CC(F)F)nn2)c1 295669989 HBDSKGCISXDLLV-LBPRGKRZSA-N 352.341 1.772 0 50 FDAA CC(C)C(=O)N1CCn2nc(CNC(=O)N3CCSCC3)cc2C1 534637754 AKBVHZQLUNVBJW-UHFFFAOYSA-N 351.476 1.140 0 50 FDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CN1C(=O)NC2(CCCC2)C1=O 299743626 LSRFYBOFVCTQKC-XQQFMLRXSA-N 363.414 1.095 0 50 FDAA CN1C(=O)C[C@H](C(=O)O)C12CCN(C(=O)c1cccc3nccnc13)CC2 299768268 SEMNJNGVTPHPNI-CYBMUJFWSA-N 368.393 1.168 0 50 FDAA CCOc1ccc2nc(N3CCCN(C[C@H](O)CO)CC3)nc(C)c2c1 299779452 UFLJTJBEBZUMOV-HNNXBMFYSA-N 360.458 1.202 0 50 FDAA COc1cccc(OC)c1OCCN1CC[C@H]2[C@H](C1)OCc1cnnn12 299794012 JKPWKYLQJGCLPE-YOEHRIQHSA-N 360.414 1.520 0 50 FDAA Cc1nc(CC(=O)N[C@@H]2CCN(Cc3c(C)noc3C)C[C@H]2O)cs1 299769095 MUCKUFYRWXKKTR-HZPDHXFCSA-N 364.471 1.350 0 50 FDAA Cc1cc(C)c2nonc2c1S(=O)(=O)NCCN=c1cc[nH]cc1C 825125278 WGYWPEVGNSWABT-UHFFFAOYSA-N 361.427 1.355 0 50 FDAA CN(C)C(=O)c1ccc(CNC(=O)N2CCC[C@@H](Cn3ccnc3)C2)o1 584886005 YRKLCOCRZZYPSV-AWEZNQCLSA-N 359.430 1.800 0 50 FDAA CC(C)n1cnnc1CNC(=O)N1CCC(N2CCSCC2)CC1 670440505 KWKPWAXNLXKVRV-UHFFFAOYSA-N 352.508 1.582 0 50 FDAA Cc1cc(C)n([C@@H]2CCN(C(=O)NCc3nc(-c4cnccn4)n[nH]3)C2)n1 670445290 MAUKGVHYPCOFRB-CYBMUJFWSA-N 367.417 1.232 0 50 FDAA CN1CCC(N(CCc2ccccc2)C(=O)NCc2nnc(N)s2)CC1 670469818 FCIHACJRVGKYQT-UHFFFAOYSA-N 374.514 1.969 0 50 FDAA Cc1nnnn1Cc1ccc(C(=O)NCc2n[nH]c3c2CCCCC3)cc1 670454168 UKJOFQSWWYAKAD-UHFFFAOYSA-N 365.441 1.952 0 50 FDAA C=CC(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1356509261 NPTMFLBLDFBBBK-UHFFFAOYSA-N 368.455 1.407 0 50 FDAA O=C1C[C@@H](C(=O)N2CCC(C(=O)NCc3ccccc3Cl)CC2)CN1 952988109 NKJIJZIAEMJIAO-CQSZACIVSA-N 363.845 1.331 0 50 FDAA Cc1ccc([C@@H](NC(=O)[C@H]2CCCN(CC(N)=O)C2)c2ccncc2)cc1 952869643 XOFRQTUFXBEQFE-AZUAARDMSA-N 366.465 1.793 0 50 FDAA CCn1cc(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)c(C)n1 952987507 DXNSCKNSVOCUKQ-UHFFFAOYSA-N 372.425 1.701 0 50 FDAA CN1C[C@]2(CCCN(S(=O)(=O)c3ccc4nc[nH]c4c3)C2)CCC1=O 952871855 FBNJGJWLRSGPFL-KRWDZBQOSA-N 362.455 1.586 0 50 FDAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)C2CCCCCC2)CN1Cc1c[nH]cn1 95383758 IVJWJAYHGKHEJD-WBVHZDCISA-N 361.490 1.575 0 50 FDAA Cc1noc(C)c1CN1CC[C@H](NC(=O)c2cccc(N(C)C)c2)[C@@H](O)C1 1565513383 WISDXQHFGCTFLH-OALUTQOASA-N 372.469 1.723 0 50 FDAA Cn1nc(CCNS(=O)(=O)c2csc(C(=O)O)c2)c2ccccc21 187124903 HIDGACFKRNQVOX-UHFFFAOYSA-N 365.436 1.854 0 50 FDAA CCn1nccc1N1CCC[C@H](NC(=O)c2cc(F)cc3[nH]cnc23)C1=O 189917976 MAXZAHHDSZMXJF-ZDUSSCGKSA-N 370.388 1.844 0 50 FDAA NC(=O)N1CCC[C@H](C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)C1 1506400508 NMLYGQVSJKRFEO-QQABJKMWSA-N 374.529 1.890 0 50 FDAA COc1ccccc1CN1C(=O)O[C@H]2CN(CCCn3cccn3)C[C@H]21 209617574 FUVSUTUZGNHAMZ-AEFFLSMTSA-N 356.426 1.987 0 50 FDAA Cc1ccsc1C(=O)N1CCCN(c2nc(C(N)=O)cs2)CC1 1772814543 GHUUBIMEIYIFJE-UHFFFAOYSA-N 350.469 1.964 0 50 FDAA CCc1nnc(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)s1 5007859 WWEUOSMJIOIWDQ-UHFFFAOYSA-N 359.455 1.497 0 50 FDAA CC1=NN(Cc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C 5147999 UHADYONLPGEGAH-LBPRGKRZSA-N 352.398 1.391 0 50 FDAA CC(C)NC(=O)c1cn([C@H]2CCCN(C(=O)COc3ccccc3)C2)nn1 14995510 MJUIQEHUSOPGCJ-HNNXBMFYSA-N 371.441 1.659 0 50 FDAA O=C(c1nc2ccccc2s1)N1CCC(Cn2cc(CO)nn2)CC1 19111464 GOAPSEJQCFTVOH-UHFFFAOYSA-N 357.439 1.933 0 50 FDAA CCOc1ccccc1Nc1nc(N)nc(CN2CCN(CC)CC2)n1 19944498 SCMQYXHVLHIPEN-UHFFFAOYSA-N 357.462 1.734 0 50 FDAA CCCOc1ccc(CN2CC[C@@H](O)[C@@]3(CCCNC3=O)C2)cc1CO 1857692763 STIDYCBTGXTHDW-UYAOXDASSA-N 362.470 1.431 0 50 FDAA Cc1ccc2oc(N3CCC(C(=O)N[C@H](C)c4nncn4C)CC3)nc2n1 1857699904 CUULCXGDUWBNIX-GFCCVEGCSA-N 369.429 1.754 0 50 FDAA CCCCc1nc(C)cc(=NCCNC(=O)[C@@]2(C)CC23CCNCC3)[nH]1 1857705084 RUESSPWBZYXQRO-LJQANCHMSA-N 359.518 1.857 0 50 FDAA COc1cc(CC(=O)N2CCO[C@@H]3C[C@H](CO)C[C@@H]32)cc(OC)c1OC 1857709915 XXORJHWKRYNCTN-QLFBSQMISA-N 365.426 1.253 0 50 FDAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3ccc(OC(F)F)cc3)C[C@@H]12 1857720611 BQBOAHSHLGNRJE-MJBXVCDLSA-N 374.409 1.087 0 50 FDAA O=C(CN1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1)N1CCCCC1 1857729125 KBNGPCODAUMHKH-OALUTQOASA-N 371.481 1.501 0 50 FDAA CN(C)C[C@@H]1OCCN(C(=O)c2ccc3nc[nH]c3c2)[C@H]1c1cnn(C)c1 1857729918 WJNGSEIMZIPTTI-ROUUACIJSA-N 368.441 1.440 0 50 FDAA COCC1(CNC(=O)[C@@H]2CC(=O)N(c3nnc(C(C)C)s3)C2)CCC1 1857735925 VTOZSAIFHWJRJF-GFCCVEGCSA-N 366.487 1.947 0 50 FDAA CCc1nc(-c2ncccn2)sc1C(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2 1857736730 SNRYIJFULSPWQC-MNOVXSKESA-N 357.439 1.513 0 50 FDAA O=S(=O)(N[C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(Br)o1 408216379 UNJYIILNWRBYAY-BXKDBHETSA-N 366.233 1.659 0 50 FDAA Cc1sc2nc(CS[C@@H](C)C(=O)NCCN(C)C)[nH]c(=O)c2c1C 120301120 FSWKHJAEMMLXFM-NSHDSACASA-N 368.528 1.901 0 50 FDAA CCOC(=O)c1oc2ccc(S(=O)(=O)NC[C@@H](C)NC)cc2c1C 239654208 BMWWVKXXEQHTRE-SNVBAGLBSA-N 354.428 1.804 0 50 FDAA Cc1c(C(=O)N2CCNC[C@H]2c2nccn2C)cnn1-c1ccccc1 261704430 JYIUIDFTRANUSI-KRWDZBQOSA-N 350.426 1.701 0 50 FDAA O=C(c1cnc(-c2ccccn2)nc1)N1CCC[C@@H]1CN1CCOCC1 933660142 NKSYFHOWOGMUBF-MRXNPFEDSA-N 353.426 1.475 0 50 FDAA CN(C[C@@H](O)CN1CCC(c2nccc(N3CCCC3)n2)CC1)C1CC1 952891436 DSBWPWBXPLXPTL-GOSISDBHSA-N 359.518 1.711 0 50 FDAA O=C(c1nc(-c2ccccc2)n2c1COCC2)N1C[C@@H]2C[C@H]1C[S@@]2=O 1875272244 PWAQKYFAASDRFJ-DZWULXIXSA-N 357.435 1.426 0 50 FDAA CCc1ccc(C(=O)NCC2[C@@H]3CN(C(=O)c4ccc(O)cn4)C[C@@H]23)o1 1875332040 KTRQYBLYRBYLQE-GJZGRUSLSA-N 355.394 1.691 0 50 FDAA O=C(NC[C@]12CCC[C@H]1CN(c1ccc3nnnn3n1)C2)C1=CCCC1 1875313078 WGFIAIRDPDGINK-KSSFIOAISA-N 353.430 1.352 0 50 FDAA O=C(Cc1cnco1)N1CC[C@]2(CO[C@@H](CNC(=O)C34CC(C3)C4)C2)C1 1875408095 ODSFVUIOCPQTNE-DFMSXVKSSA-N 359.426 1.141 0 50 FDAA NC(=O)[C@]1(N2CCN(Cc3ncc(Cl)cc3Cl)CC2)CCOC1 886093433 PRDYIWTZPLMKOU-HNNXBMFYSA-N 359.257 1.150 0 50 FDAA CC(C)[C@H](Cn1cccn1)NC[C@H]1CCC(=O)N(C)[C@@H]1c1nccn1C 886085123 BIHDLUFOVITSOW-RYRKJORJSA-N 358.490 1.841 0 50 FDAA CN(C)C(=O)c1cccc(CN2CCC[C@](O)(Cc3nncn3C)C2)c1 888077088 IIISTFWJVINWCI-IBGZPJMESA-N 357.458 1.087 0 50 FDAA CO[C@H]1CCN(Cc2nc(C(=O)N3CCC(c4cc[nH]n4)CC3)co2)C1 888095220 MWSOJSJRDHHPIK-AWEZNQCLSA-N 359.430 1.638 0 50 FDAA O=C(O)C[C@@H]1COCCN1S(=O)(=O)c1ccccc1Br 129490617 OUOULBLTUSJTEL-SECBINFHSA-N 364.217 1.313 0 50 FDAA O=C1CO[C@H](C(=O)N2CCc3ncccc3C2)[C@@H](c2ccccc2Cl)N1 2100534396 GRIWYJIHDFEDCH-MSOLQXFVSA-N 371.824 1.876 0 50 FDAA COC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@@H]1c1ccc(C)cc1C 20500794 JCUJGEOXZKJAPU-QGZVFWFLSA-N 359.426 1.417 0 50 FDAA O=C(N[C@@H]1CCCc2ccoc21)N1CCN(S(=O)(=O)C2CC2)CC1 2325797704 NGDAHMMHIQPBNX-CQSZACIVSA-N 353.444 1.476 0 50 FDAA CN=c1cc(C(=O)N2CC[C@@]3(O)CCCC[C@@]3(O)C2)c2ccccc2[nH]1 2325810936 REIXZBOPJUNRNZ-VQTJNVASSA-N 355.438 1.581 0 50 FDAA Cn1cncc1CCC(=O)N1CC[C@H](NC(=O)c2cn[nH]c2)CC(C)(C)C1 2325864976 HUOVHTVYLDIHKQ-HNNXBMFYSA-N 372.473 1.523 0 50 FDAA C[C@@H](N=c1nc(O)c2ccccc2[nH]1)[C@H]1CCN(C(=O)c2cc[nH]n2)C1 2325867455 WOVLRSAOCMNGKA-NEPJUHHUSA-N 352.398 1.443 0 50 FDAA C=CC(=O)NCCC(=O)NCc1cn2cccc(Br)c2n1 2325888265 ABYSDXKPZGHMDF-UHFFFAOYSA-N 351.204 1.405 0 50 FDAA O=C(CO)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1cccc(F)c1 2356134111 YVALIYDAMVRBQL-FZCLSBEQSA-N 360.429 1.589 0 50 FDAA CS(=O)(=O)c1ccc(-c2cnc3c(N4CCOCC4)nccn23)cc1 2356147056 GAIATKSCNOUSHL-UHFFFAOYSA-N 358.423 1.636 0 50 FDAA Cn1nnnc1[C@H]1CN(C(=O)CCc2nc3ccccc3s2)CCO1 2356152472 KVSNVFRIJTWIFI-GFCCVEGCSA-N 358.427 1.353 0 50 FDAA CCOc1ccc(-c2nnc3n(C(C)C)c4c(=O)[nH]c(=O)n(C)c4n23)cc1 10970001 HKVNHEITLAPBFP-UHFFFAOYSA-N 368.397 1.718 0 50 FDAA COC(=O)c1ccccc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100813984 JBOXHASCSBCRKB-KUDNYVPYSA-N 354.362 1.219 0 50 FDAA COCCN1CCC[C@@](O)(CN(C)Cc2cccc3ncccc23)C1=O 67675835 JLPZOKBRTMUHHO-HXUWFJFHSA-N 357.454 1.667 0 50 FDAA CSc1nccc(N2CCN(CC(C)(C)N3CCOCC3)CC2)n1 65396633 FFTYBPOJTXLRKG-UHFFFAOYSA-N 351.520 1.431 0 50 FDAA COC(=O)c1cc(NC(=O)C(=O)N2C[C@@H](C)C[C@@H](CO)C2)cc2[nH]ccc12 421296956 QZDZOGQAONGFQN-NWDGAFQWSA-N 373.409 1.370 0 50 FDAA O=C([C@@H]1CCCO1)N1CCC(NCCN2CCc3ccccc3C2)CC1 67772983 MPSKAQZTMYEVKC-FQEVSTJZSA-N 357.498 1.804 0 50 FDAA Cc1ccc(N(C)CCNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1 65363838 CLNAUJPJXOAAJU-HNNXBMFYSA-N 353.488 1.219 0 50 FDAA CC(C)C(=O)N1CCCN(CC(=O)Nc2nc3c(s2)CCC3)CC1 118831092 YWVAHXKSBDFLDX-UHFFFAOYSA-N 350.488 1.761 0 50 FDAA CN(C)c1cnn(CC(=O)Nc2c(-c3ccccc3)cnn2C)c(=O)c1 20325951 AXNTUBZHBCJWKO-UHFFFAOYSA-N 352.398 1.349 0 50 FDAA Cc1cc(-n2nc(-c3ccccc3)nc2CC[C@H]2NC(=O)NC2=O)ccn1 63884823 JVUJIYFJHVISCP-OAHLLOKOSA-N 362.393 1.778 0 50 FDAA Cc1cccc(CN2CCc3nnc([C@H](C)NC(=O)C4CC4)n3CC2)n1 20110011 VWXGQNUVKREGGT-AWEZNQCLSA-N 354.458 1.627 0 50 FDAA CCn1ccnc1CNC[C@@]1(O)CCCN(Cc2cccc(OC)c2)C1=O 67868426 QAVZPDBQLYHZKM-FQEVSTJZSA-N 372.469 1.555 0 50 FDAA Cc1nc(CCNC(=O)CCCc2nc(-c3ccco3)no2)cc(=O)[nH]1 65396554 OCMZEGGAPGSHST-UHFFFAOYSA-N 357.370 1.403 0 50 FDAA O=C(O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)[C@H]1CCOC1)CC2 67946583 MPOHKKUXNBAUCL-VIFPVBQESA-N 361.320 1.455 0 50 FDAA O=C(NCc1ccccn1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 33359563 GOPVMFDKGRYYCC-UHFFFAOYSA-N 359.451 1.937 0 50 FDAA Cc1cc(CN(C[C@@H]2CN(C)CCO2)C(=O)CCn2cccn2)c(C)[nH]1 252523057 BSWSAOYJRMFBKR-SFHVURJKSA-N 359.474 1.578 0 50 FDAA O=C(NCCc1ccccn1)c1nc(CS(=O)(=O)c2ccccc2)no1 4624554 QHSAWEQEPSSWHO-UHFFFAOYSA-N 372.406 1.411 0 50 FDAA CC(C)CN1C[C@H](C(=O)N2CC[C@](C(=O)O)(C(F)(F)F)C2)CC1=O 324502753 OIFHEPATHLWSGV-YGRLFVJLSA-N 350.337 1.357 0 50 FDAA O[C@H](CNC1(c2noc(C3CC3)n2)CCCC1)COC1CCOCC1 122420318 XACLOSLLOHKKHI-CQSZACIVSA-N 351.447 1.862 0 50 FDAA CCCc1ccc(CN2CCN(C(=O)N(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)o1 77320369 IDVCXGJZJZFUQI-JKSUJKDBSA-N 369.487 1.197 0 50 FDAA O=C(CCn1c(=O)[nH]c2ccccc21)N[C@@H]1CCCN(c2cnccn2)C1 214965390 YAFJFQWSDRBJOO-CQSZACIVSA-N 366.425 1.295 0 50 FDAA CN(C)c1ccc(N[C@@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)CC2)cn1 328620744 ABUUVMZNFXSDTE-CQSZACIVSA-N 370.457 1.348 0 50 FDAA COc1ccc(N2CCN(CC(=O)Nc3cnn(C)c3C)[C@@H](C)C2=O)cc1 77394136 VGBSTUKKGLBLNS-AWEZNQCLSA-N 371.441 1.413 0 50 FDAA Cc1nn(C)cc1CN1CCC[C@@H](c2nnc(CN3CCOCC3)n2C)C1 72426184 RJSDQDGEGZXYBD-MRXNPFEDSA-N 373.505 1.069 0 50 FDAA CC(C)CN1CCN(C(=O)c2c[nH]c3c(F)cccc3c2=O)[C@@H](C)C1=O 77386205 SICXYJROUITTMA-LBPRGKRZSA-N 359.401 1.996 0 50 FDAA CNC(=O)[C@@H]1CCCN1C(=O)C[C@H](NC(C)=O)c1c(F)cccc1F 171489753 KVHDTCTYSNLDQV-KBPBESRZSA-N 353.369 1.269 0 50 FDAA CC[C@@H](CSC)NC(=O)C(=O)Nc1cc([C@@H]2CCCOC2)nn1C 280590035 XLBMGOOQNFDUIC-NEPJUHHUSA-N 354.476 1.510 0 50 FDAA CC[C@@]1(O)CCN(c2cc(C(F)(F)F)nc(N3CCCC3)n2)C[C@H]1O 72427243 ACOBJUGJNAHJSV-IUODEOHRSA-N 360.380 1.808 0 50 FDAA CNc1ncccc1C(=O)N1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1 71762928 HLNULKOWVBUZRX-UHFFFAOYSA-N 362.393 1.467 0 50 FDAA CN(C)Cc1nnc([C@@H]2CCCN(C(=O)c3ccc(Cl)cn3)C2)n1C 72475740 GCRANVFCQXAKEP-GFCCVEGCSA-N 362.865 1.945 0 50 FDAA O=C(Cn1ncn2nccc2c1=O)N1CCC[C@H]1COc1ccc(F)cc1 368485783 XMZUEDANOKGQIV-AWEZNQCLSA-N 371.372 1.100 0 50 FDAA CC(C)Oc1ccc(NC(=O)N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)nn1 375478912 VLAOUONXPYRKPO-GDZNZVCISA-N 350.419 2.064 0 50 FDAA CC[C@@H]1CN(C(=O)CCCNC(C)=O)CCC(=O)N1Cc1ccccc1 71707869 VIRGWCKEEYGWIC-GOSISDBHSA-N 359.470 1.942 0 50 FDAA O=C(c1cccc(S(=O)(=O)N[C@H]2CCOC2)c1)N1CCC(F)(F)CC1 215417334 NHBCLNINTKJBGQ-ZDUSSCGKSA-N 374.409 1.625 0 50 FDAA CN1C(=O)[C@@](CCC(=O)NCC(N)=O)(Cc2ccccc2)c2ccccc21 71755327 CMUVNCUMQFUWPE-NRFANRHFSA-N 365.433 1.525 0 50 FDAA CCC(=O)N1CCc2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc2C1 77323217 WFBNZZZGACCOFG-HNNXBMFYSA-N 352.456 1.439 0 50 FDAA CC(C)(C)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCc4n[nH]cc4C2)[C@H]3C1=O 77555837 IGBHUGPBSLUQIX-ULMVMLMRSA-N 370.453 1.123 0 50 FDAA Cn1c(-c2ccc(F)cc2)cn2cc(C(=O)N3CCCOCC3)nc2c1=O 72412180 QPBAGVJQWGQFDN-UHFFFAOYSA-N 370.384 1.702 0 50 FDAA CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2cccc3nccnc23)C1 220655231 BZWGTSODQUPHMG-TXEJJXNPSA-N 352.398 1.410 0 50 FDAA CCn1ccnc1[C@@H](NS(=O)(=O)c1cnn(C)c1)C1CCOCC1 285191363 WASYBQMNCVVBMB-AWEZNQCLSA-N 353.448 1.083 0 50 FDAA CCn1c(O)nc2cc(C(=O)N3C[C@@H](C)C[C@H](C(=O)O)C3)ccc2c1=O 263354692 QNUILSQOHXLRGJ-JQWIXIFHSA-N 359.382 1.305 0 50 FDAA CN(Cc1nc(C2CC2)no1)C(=O)NC[C@H]1CCCN(c2ncccn2)C1 426429026 PNWOPOQFKYLHBC-CYBMUJFWSA-N 371.445 1.795 0 50 FDAA Cc1nc(N2CCC(Cc3nnc(CO)n3C)CC2)cc(-n2cccn2)n1 82114986 FPOLTDJQJQLHOW-UHFFFAOYSA-N 368.445 1.051 0 50 FDAA CC(C)(C)c1ncc(C(=O)N2CCC(O)(c3cccnc3)CC2)c(=O)[nH]1 82136696 BEYXXGVSRIGZED-UHFFFAOYSA-N 356.426 1.586 0 50 FDAA CN1C[C@]2(CCN(C(=O)NCc3c[nH]nc3-c3ccccc3)C2)OCC1=O 426555641 ODROTPKJTTXPHF-IBGZPJMESA-N 369.425 1.219 0 50 FDAA CC(C)CN1CCCn2nc(CNC(=O)CCc3cc(O)no3)cc2C1 82099621 HHQDKUJHCZBMQI-UHFFFAOYSA-N 361.446 1.687 0 50 FDAA Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(F)cc2)cc1OCCN 426746333 RUDXEIPGUJWCTA-SFHVURJKSA-N 371.412 1.785 0 50 FDAA CCCS(=O)(=O)c1ncc(CN2CCSCC2)n1C[C@@H]1CCCO1 20997337 BJUQHJARRNFWRY-HNNXBMFYSA-N 373.544 1.795 0 50 FDAA Cc1nnc(SCCCNC(=O)[C@@H]2CCCCn3nnnc32)s1 97569032 ZPEDLXPIPKUBMP-SNVBAGLBSA-N 353.477 1.399 0 50 FDAA CCCn1cc(C(=O)N2CCN(Cc3ccoc3)[C@H](CCO)C2)c(C)n1 91616329 IVYUTBIDSZOZHP-QGZVFWFLSA-N 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C[C@@H](C(=O)O)N(C)C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 262909244 RPZXSTNRBFIQHT-JOYOIKCWSA-N 356.831 1.787 0 50 FDAA Cc1nnc(CCNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)s1 218822512 GCVKCIWZKFENKV-UHFFFAOYSA-N 372.447 1.111 0 50 FDAA Cc1nonc1OCCNC(=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 15065661 GELKMIQCWPLWRP-OAHLLOKOSA-N 364.446 1.692 0 50 FDAA CCS(=O)(=O)Nc1ccc(NC(=O)N[C@@H]2CCC(=O)N[C@H]2C)cc1C 282245642 OFXXUSLJNSMVPB-SMDDNHRTSA-N 368.459 1.545 0 50 FDAA CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)O 227597004 DNDWZFHLZVYOGF-SOUVJXGZSA-N 357.495 1.506 0 50 FDAA in-vitro CNC(=O)c1ccn([C@H]2CCCN(c3nnc(-c4ccon4)s3)C2)n1 283766113 NXIKTCIHPRMEEU-JTQLQIEISA-N 359.415 1.591 0 50 FDAA COc1cccc(C(=O)N2CCC(C(=O)N[C@H](C)Cn3cccn3)CC2)c1 220293021 DZUXYVUEYQPDPA-OAHLLOKOSA-N 370.453 1.949 0 50 FDAA COCc1cc(CNC(=O)Nc2ccc3c(c2)N(C)C(=O)[C@H](C)O3)[nH]n1 426737552 UOYGSSBIBFRSRD-JTQLQIEISA-N 359.386 1.622 0 50 FDAA CN(CCc1ccccn1)c1cc([C@H]2CCOC2)nc(N2CC(O)C2)n1 426497326 WIWGYZQUBSIVIL-AWEZNQCLSA-N 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1.644 0 50 FDAA Cc1[nH][nH]c(=O)c1CC(=O)N1CCCN(CCCc2ccccc2)CC1 244673800 HVWLBPNCOMVLQZ-UHFFFAOYSA-N 356.470 1.721 0 50 FDAA COc1cncc([C@@H](NC(=O)CCc2nc(Cl)n[nH]2)[C@H]2C[C@H](O)C2)c1 252536697 JEJXOTVHXMDVRW-ZSGNIPIJSA-N 365.821 1.423 0 50 FDAA CN(C)C(=O)c1cccc(N[C@H]2C[C@@H](c3cc(O)nc(N(C)C)n3)C2)n1 253535744 PAYHQVNOOJPTLL-TXEJJXNPSA-N 356.430 1.703 0 50 FDAA COc1ccc(NC(=O)COc2c(C)n(CCO)ccc2=O)c(OC)c1 263587020 BDLIRXOFBIZQKZ-UHFFFAOYSA-N 362.382 1.184 0 50 FDAA C[C@H](NC(=O)N1CCS(=O)(=O)CC1)c1cnn(-c2ccccc2F)c1 534651812 CFCGUBCMXGYCSM-LBPRGKRZSA-N 366.418 1.512 0 50 FDAA Cc1ccc(OC[C@@H](O)CNc2nc(C)nc3c2CCNCC3)c(C)c1 63844450 YYVORGNQPXHISE-INIZCTEOSA-N 356.470 1.942 0 50 FDAA CCc1cc(N2CCN(C(=O)Cc3c(C)nc(C)nc3O)CC2)ncn1 299775688 MQGNRQHTVKWHSZ-UHFFFAOYSA-N 356.430 1.043 0 50 FDAA CC(C)C(=O)N1CCn2nc(CNC(=O)CCCn3ccnc3)cc2C1 299787340 WAJNUWYTXVZXJQ-UHFFFAOYSA-N 358.446 1.174 0 50 FDAA Cc1nc2c(c(N3CCCC3)n1)CCN(C(=O)CCCn1cccn1)C2 299777583 NRTLSISYXBFMRU-UHFFFAOYSA-N 354.458 1.947 0 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374.462 1.678 0 50 FDAA Cc1nn(C)c(Oc2cccnc2)c1NS(=O)(=O)[C@@H]1CCO[C@@H]1C 170609266 SVOZIJLDTSPSLC-DGCLKSJQSA-N 352.416 1.835 0 50 FDAA O=S(=O)(CCc1ccc2c(c1)CCO2)NC1CCN(C2CC2)CC1 189401365 BTIUBNGMADCWGK-UHFFFAOYSA-N 350.484 1.710 0 50 FDAA NC(=O)Cn1cc(C(=O)Nc2cc(Cl)ccc2OCC2CCC2)nn1 189948594 FCRGXDKCTKLUOB-UHFFFAOYSA-N 363.805 1.848 0 50 FDAA CNS(=O)(=O)CCNC(=O)Nc1ccc(-n2ncc3ccccc32)cc1 190364337 DBCRTCWPEDLXQT-UHFFFAOYSA-N 373.438 1.696 0 50 FDAA Cc1noc(C)c1-c1ccc(S(=O)(=O)N[C@@H]2CCCCNC2=O)s1 1506408230 QPVYXADIIPLJKQ-LLVKDONJSA-N 369.468 1.967 0 50 FDAA O=C(c1cccc(-n2cnnc2)n1)N1CCCN(C(=O)c2ccco2)CC1 1506422863 SIAUOGDXHKAYOQ-UHFFFAOYSA-N 366.381 1.244 0 50 FDAA Cc1cc(C[C@@H]2CN(C(=O)CN3CCc4ccccc4C3)C[C@H]2O)n[nH]1 1529110074 KUNOZAKVHABJCJ-IEBWSBKVSA-N 354.454 1.138 0 50 FDAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NCCC(=O)N2CCCC2)OCC(=O)N1C 1529180469 JLQXLPNNDIGOPS-MOPGFXCFSA-N 373.453 1.022 0 50 FDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1csc2ccccc12 1704338515 FCSKMWRQZHWERO-FZMZJTMJSA-N 368.480 1.538 0 50 FDAA Cc1ccc(N2C[C@@H]3[C@H](CN(C)Cc4cnn(C)c4)[C@H]4CC[C@]3(C2)O4)nn1 1704325824 STGBKQBVYMGAFM-JRBPQWBISA-N 368.485 1.634 0 50 FDAA C[C@]1(NC(=O)c2cc(-c3ccccc3)on2)CC2(CCNCC2)OC[C@@H]1O 1704341513 VMQORZIBWRMOIN-HKUYNNGSSA-N 371.437 1.734 0 50 FDAA Cc1ccncc1C(=O)N1CCCN(C(=O)c2ccn(C(F)F)n2)CC1 1772712562 UQGMNJMYUNUKIN-UHFFFAOYSA-N 363.368 1.970 0 50 FDAA Cc1[nH]c2ccccc2c(=O)c1CC[C@H](C)N1C[C@H]2[C@H](C1)C2(CO)CO 1772810225 JJPFOGBKHCWZJM-KKXDTOCCSA-N 356.466 1.690 0 50 FDAA CCn1ncnc1CN1C[C@@H]2COC[C@H](C1)N(c1noc(C(C)C)n1)C2 1772710183 SGPGMAWKAGVJBO-KBPBESRZSA-N 361.450 1.142 0 50 FDAA O=C(NCCOc1cccnc1)[C@@H]1CCC(=O)N(CCc2ccccn2)C1 11665108 MNQSTEQJQGQNBV-MRXNPFEDSA-N 368.437 1.453 0 50 FDAA CC(C)(C)NC(=O)N1CCC(N2CCC[C@H](C(=O)NC3CC3)C2)CC1 11843722 LGWQKBOIMFFKRF-AWEZNQCLSA-N 350.507 1.950 0 50 FDAA CCC[C@@H]1NC(=O)[C@H]2CN(Cc3cnn(-c4ccccc4)c3)CCN2C1=O 14543253 VLOAMDROMMAWDJ-ZWKOTPCHSA-N 367.453 1.184 0 50 FDAA CC1CCN(C(=O)CN2C(=O)N[C@@H](c3ccccc3)C3=C2COC3=O)CC1 169749894 YTWFURDMBFMQPJ-SFHVURJKSA-N 369.421 1.822 0 50 FDAA O=C(N[C@H]1C[C@@H](Cn2ccnc2)C[C@@H]1O)c1cccc(-c2cc[nH]n2)c1 1857526995 BEJCBZSUJFSRBF-BVGQSLNGSA-N 351.410 1.843 0 50 FDAA C[C@H](NC[C@]1(CO)COC[C@@H](C)N1Cc1ccccc1)c1nccn1C 1857527286 UBXKZMNLUSKTQV-UWVAXJGDSA-N 358.486 1.723 0 50 FDAA Cc1ocnc1C(=O)N[C@@H]1CCC[C@@H](NC(=O)CCCn2cncn2)C1 1857683941 RTNNLNSQBHPDOL-ZIAGYGMSSA-N 360.418 1.212 0 50 FDAA Cc1ccc(F)cc1S(=O)(=O)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857732278 KIKAMYXBNUVDMM-ZBFHGGJFSA-N 354.403 1.246 0 50 FDAA O=C(NCC(=O)N1C[C@@H](CO)Cc2cccc(F)c21)OCC(F)(F)F 911694278 CVQJDOHVYNHLJO-VIFPVBQESA-N 364.295 1.612 0 50 FDAA C[C@@H]1CC[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@]12CC[C@@](CO)(CCO)O2 248342367 XYPPDQHBNJURHU-VSKDJGRCSA-N 356.503 1.855 0 50 FDAA biogenic,in-vitro C[C@@H]1CN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)[C@@H](c2ccccc2)CO1 266343573 NBFNBNABAGHWRG-OWDMVUQNSA-N 371.437 1.696 0 50 FDAA COc1ccc(C)cc1CCNC(=O)C(=O)NC1CC2(CO[C@@H](C)C2)C1 929246762 OPTWQWNYCBVZTQ-GPWPYBQESA-N 360.454 1.736 0 50 FDAA CN(C)[C@@H](Cc1ccccc1)C(=O)N1C[C@@]2(C)CS(=O)(=O)C[C@@]2(C)C1 874509258 PFKLWBYMZASPNX-YTQUADARSA-N 364.511 1.443 0 50 FDAA O=C([C@@H]1CCO[C@@H]1CC1CCNCC1)N1CCN(c2ccccn2)CC1 952889330 YSIQBLQMULNIMO-QZTJIDSGSA-N 358.486 1.525 0 50 FDAA O=C(N[C@@H]1CCc2ccccc2NC1=O)c1c[nH]nc1[C@H]1CCCNC1 1875270199 NNMBKLDGXMLVSV-XJKSGUPXSA-N 353.426 1.560 0 50 FDAA CC(C)[C@@H](CNc1cnn(CC(N)=O)c(=O)c1Cl)Nc1ccccc1 1875256446 AWKCYKJCLLQCIT-CYBMUJFWSA-N 363.849 1.931 0 50 FDAA CS(=O)(=O)NC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F 1875390905 AXELNJFKDVCKFY-LLVKDONJSA-N 368.358 1.512 0 50 FDAA C[C@@H]1COC[C@@](CO)(CNC(=O)c2cc(-c3cc[nH]n3)ccc2F)N1C 1875402195 BKVSAWAAIZFDAD-XIKOKIGWSA-N 362.405 1.027 0 50 FDAA COc1ccc(CCNC(=O)c2n[nH]c(=O)c3ccccc23)cc1OC 2647132 XMRVFQKDUOTAGU-UHFFFAOYSA-N 353.378 1.913 0 50 FDAA COCc1ncc2c(n1)C[C@H]1CC[C@H]2N1C(=O)C(=O)N1CCC[C@@H](C)C1 2325758359 UZNFHVBMSYVYHJ-XJKCOSOUSA-N 358.442 1.470 0 50 FDAA N[C@H]1CN(S(=O)(=O)CCn2cnc3ccccc32)Cc2ccccc21 2325778278 OUHICEWHGCJUHA-INIZCTEOSA-N 356.451 1.882 0 50 FDAA CC(C)[C@H](C)C(=O)N(C)C[C@H](O)CN(C)C(=O)c1ncc(F)cc1F 2325794013 OCGQVJNKWPHSLN-AAEUAGOBSA-N 357.401 1.543 0 50 FDAA C/C(=C\C(=O)N1CCCN(C)CCC1)C(=O)N1CCCN(C)CCC1 2325802006 AQHKIGRHPPEHOL-WUKNDPDISA-N 350.507 1.041 0 50 FDAA CC(C)(C(=O)N[C@@H]1CCNC[C@H]1F)S(=O)(=O)c1ccc(Cl)cc1 2325809067 BIRHEQMWTBZUOJ-CHWSQXEVSA-N 362.854 1.709 0 50 FDAA Cc1cccnc1C(=O)NC[C@H](C)N(C)C(=O)c1cccc2nccn12 2325839402 RXKXAYUYUNLYRX-AWEZNQCLSA-N 351.410 1.928 0 50 FDAA CCC[C@@H](CCO)NC(=O)C(C)(C)Oc1cccc(-c2nc(=O)o[nH]2)c1 2325850169 OCCKTWXYUNQQPX-ZDUSSCGKSA-N 363.414 1.855 0 50 FDAA C[C@@H]1CN(C(=O)c2ccc3cccnc3c2)C[C@H]1CNC(=O)CN(C)C 2325871228 CMYMYPAZWJIKBR-RHSMWYFYSA-N 354.454 1.621 0 50 FDAA C=CC(=O)N1CCC(C(=O)N2Cc3ccccc3C[C@H]2C(=O)OC)CC1 2325888340 JVXMSJFSMLFMOT-KRWDZBQOSA-N 356.422 1.538 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)Nn2cnc3sc(C)c(C)c3c2=O)C1 2325889553 WCKYZOXVDIYBSZ-LBPRGKRZSA-N 360.439 1.570 0 50 FDAA Cn1c(Cc2csc(N)n2)nnc1SCC(=O)NC1CCCCC1 2709261 XGDVSMJVFAOXNO-UHFFFAOYSA-N 366.516 1.986 0 50 FDAA CCCn1c(=O)c2c(nc3n(Cc4ccco4)c(C)c(C)n23)n(C)c1=O 4250883 OZAHNBYKGYLAMR-UHFFFAOYSA-N 355.398 1.818 0 50 FDAA CCOC(=O)[C@@H]1[C@@H](c2cccc(F)c2)NC(=O)N(C)[C@]1(O)C(F)(F)F 4269782 YDLUCODCJLECIE-MISXGVKJSA-N 364.295 1.952 0 50 FDAA COCCNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 4995826 IOQHDWSCLWAYHB-UHFFFAOYSA-N 366.414 1.784 0 50 FDAA CCNS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2[C@H](C)[C@@H](OC)C2(C)C)c1 222148735 OZDWSCUEAPTJHQ-COLVAYQJSA-N 372.462 1.913 0 50 FDAA O=C(NC1CCCC1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 8082028 XVNVMZBMIJZHSX-UHFFFAOYSA-N 356.419 1.519 0 50 FDAA COCn1ncc(C)c1CNC[C@@H](c1ccc(OC)cc1)N1CCOCC1 225836454 HHHYAECRWSRBEY-FQEVSTJZSA-N 374.485 1.967 0 50 FDAA COc1ccc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)cn1 170625564 HRVULVVKFKWMBB-HNNXBMFYSA-N 368.393 1.930 0 50 FDAA O[C@@H](COc1ccccc1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 20294121 BTQZPJLSSCNZMZ-GOSISDBHSA-N 370.449 1.973 0 50 FDAA COc1nc2c(cc1CNC(=O)[C@@H]1[C@H]3CNC[C@H]31)C(=O)N(C1CCCC1)C2 101851662 IUBHWRUMBPIASG-QLPKVWCKSA-N 370.453 1.070 0 50 FDAA O=C(NC1CCN(Cc2cccnc2)CC1)c1cnc2ccccn2c1=O 177645927 SCPBCDYFDNZHKT-UHFFFAOYSA-N 363.421 1.484 0 50 FDAA COc1cccc(-c2cn[nH]c2C2CCN(C(=O)CCNC(N)=O)CC2)c1 67872577 ADFQROBCFWALGY-UHFFFAOYSA-N 371.441 1.850 0 50 FDAA O=C1O[C@@H]2CN(Cc3ccccc3F)C[C@@H]2N1CCCN1CCOCC1 67675426 SGUFCSXVSTWYRJ-ZWKOTPCHSA-N 363.433 1.553 0 50 FDAA C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 20045439 HLLRIOPZFUAAES-ZFWWWQNUSA-N 351.472 1.483 0 50 FDAA O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCS(=O)(=O)C1 68140730 LDURQTCBPCCCRW-NSHDSACASA-N 369.830 1.483 0 50 FDAA O=C(c1cc2n(n1)CCCN(C1Cc3ccccc3C1)C2)N1CCOCC1 65417828 HCDVYNXHOXHXNG-UHFFFAOYSA-N 366.465 1.729 0 50 FDAA Cc1cnc(C)c(-c2cc(O)c3c(c2)CN(C(=O)[C@@H]2CCNC2)CCO3)n1 67561282 YNJDBSAWRUQZGA-CQSZACIVSA-N 368.437 1.797 0 50 FDAA CCN(C(=O)c1ccc(-c2ccccc2)[nH]c1=O)[C@H]1CCS(=O)(=O)C1 77471846 SLFDVBOZYNCFQE-AWEZNQCLSA-N 360.435 1.691 0 50 FDAA Cn1nccc1CN1C[C@@H](F)C[C@H]1CN[C@H]1CCC[C@@H](S(C)(=O)=O)C1 252569103 VZOZELVPEVMKKC-NXNVCVFFSA-N 372.510 1.278 0 50 FDAA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)COC[C@H]1CCCO1 328626574 LWLIZOXXDFNUMF-KVSKMBFKSA-N 364.490 1.457 0 50 FDAA CC(C)CCN1CCNC(=O)[C@@H]1CC(=O)N(Cc1ccccn1)C1CC1 72121751 IQACDHJSIBTGKH-SFHVURJKSA-N 358.486 1.809 0 50 FDAA N[C@@H]1c2ccccc2C2(CCN(C(=O)CCn3cc(Cl)cn3)CC2)[C@H]1O 72133849 SNGMGOXCPCWAAN-MSOLQXFVSA-N 374.872 1.861 0 50 FDAA CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2csc(NC(C)=O)n2)C1 331423777 SAPAJNCMJAEYRK-GXSJLCMTSA-N 351.388 1.395 0 50 FDAA CCn1ncnc1[C@@H](C)NC(=O)Cn1nc(-c2ccccc2)n(CC)c1=O 77424322 PQOOIPYIJIULOG-CYBMUJFWSA-N 369.429 1.221 0 50 FDAA O=C(CCn1cnnn1)NCc1cccnc1N1CCc2ccccc2C1 39551753 OFAJBNJSEKXDRH-UHFFFAOYSA-N 363.425 1.337 0 50 FDAA CCN(CCS(=O)(=O)c1ccc(C)cc1)C(=O)c1nc[nH]c1C(=O)O 216150311 DKGULSUDPYYJRH-UHFFFAOYSA-N 365.411 1.352 0 50 FDAA C[C@H](NC(=O)[C@H]1CCCCN1C(=O)c1ccccc1)[C@@H](C)N1CCOCC1 363486760 VCRHIBZFJNRQKR-YQVWRLOYSA-N 373.497 1.907 0 50 FDAA Cc1ccn2c(C(=O)N[C@@H]3CC(=O)N(Cc4cccc(F)c4)C3)nnc2n1 72128048 NFWGKBDBXCIRBH-CQSZACIVSA-N 368.372 1.103 0 50 FDAA COC[C@@H](C)n1c(CCCC(=O)N2CCNC(=O)CC2)nc2cccnc21 77340590 OUIRREWZMIQIPC-CQSZACIVSA-N 373.457 1.310 0 50 FDAA Cc1cc(C)nc(CCNS(=O)(=O)c2cccc(C(=O)N3CCC3)c2)n1 215629324 FKECCFGYNNWOMF-UHFFFAOYSA-N 374.466 1.460 0 50 FDAA COCC[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NCCF)c1 216162863 WMFOAKAKZVBSKA-HNNXBMFYSA-N 372.462 1.966 0 50 FDAA Cc1c(-c2nc(C3(N)CCC3)no2)nnn1-c1ccc2c(c1)OCCO2 261935681 LZKOQTUPQCRBTB-UHFFFAOYSA-N 354.370 1.735 0 50 FDAA O=C(Cc1csc2ccccc12)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 333722125 IJMMSDPXMNVDHM-GDBMZVCRSA-N 365.476 1.858 0 50 FDAA C[C@H](C(=O)O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 237440759 NHKDCOVCXWNHET-SNVBAGLBSA-N 366.361 1.485 0 50 FDAA CN(Cc1ccon1)C(=O)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71662923 MFEPVEOSZYHMKI-MRXNPFEDSA-N 374.485 1.746 0 50 FDAA C[C@H](CC(=O)NCC(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CCCNC1 237602104 MDNJERWNQKPASX-QZTJIDSGSA-N 372.513 1.477 0 50 FDAA CC(C)(NC(=O)Cn1cc(C(=O)O)nn1)c1ccc(Br)cc1 448986372 FWXGYKFMSSURRG-UHFFFAOYSA-N 367.203 1.790 0 50 FDAA O=C(c1ccc(F)cc1)N1CCCN(C(=O)[C@H]2CC23CCNCC3)CC1 237815503 IOIGCVJPIYZHCT-QGZVFWFLSA-N 359.445 1.890 0 50 FDAA O=C(NC1C[C@@H]2CC[C@H](C1)N2)C1CCN(C(=O)COc2ccccc2)CC1 237996527 AUZCLJKTYPCRET-JWTNVVGKSA-N 371.481 1.703 0 50 FDAA COc1cccc(-n2cc(CNC(=O)[C@H]3NCCc4[nH]cnc43)cn2)c1 72474918 XXOOYVDMNICUQX-KRWDZBQOSA-N 352.398 1.107 0 50 FDAA CNS(=O)(=O)CCn1ccnc1-c1cccc(-n2nc(C)cc2C)c1 72479418 GGJVVYLSMSPEIK-UHFFFAOYSA-N 359.455 1.902 0 50 FDAA NC(=O)[C@@H]1CCCN1C(=O)Cn1ccc2ccc(Br)cc21 40309180 ROGZAYJJYUOJSY-LBPRGKRZSA-N 350.216 1.880 0 50 FDAA biogenic COCCN1C[C@@H](CNC(=O)Cc2cccc(C(F)(F)F)c2)CC1=O 221359095 QLWVWLVJZFSKMJ-CYBMUJFWSA-N 358.360 1.859 0 50 FDAA NCCNC(=O)[C@H]1CCCN(C(=O)c2cnc(-c3ccccn3)s2)C1 132133779 ZZWZIYQFROBNDR-LBPRGKRZSA-N 359.455 1.132 0 50 FDAA CC(=O)c1c(C)nn(CC(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N2CCCC2)c1C 223723469 SSEMTVDZRVYSKU-ZWQIFLOQSA-N 360.458 1.070 0 50 FDAA C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Nc1nccn(C)c1=O 287010866 FVYPWCIBACGFBT-LLVKDONJSA-N 357.418 1.638 0 50 FDAA O=C(NCCSc1nc[nH]n1)N1CCN(c2ccc(Cl)cn2)CC1 426498610 OACBNRNFYNNDAR-UHFFFAOYSA-N 367.866 1.477 0 50 FDAA CCc1ocnc1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C 285330770 SEMCDWBZTAUKFN-SJKOYZFVSA-N 357.414 1.595 0 50 FDAA CCCn1cnnc1CNC(=O)C1CCN(C(=O)c2ccncc2)CC1 426597402 LRSUKLFZIXJWJK-UHFFFAOYSA-N 356.430 1.252 0 50 FDAA O=C(Cc1ccc(F)c(F)c1)N[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1O 426738960 AEVIYNKXYCWCBQ-QZTJIDSGSA-N 374.387 1.899 0 50 FDAA Cc1nnnn1-c1cccc(NC(=O)NCCN2CCC(N(C)C)CC2)c1 175180592 GOPXSKRFOOOYQK-UHFFFAOYSA-N 372.477 1.118 0 50 FDAA O=C(Cc1nc2ccccc2[nH]1)N[C@@H]1COCC[C@H]1Oc1ccccn1 222256842 FNOHCAJJQSIEJN-HZPDHXFCSA-N 352.394 1.853 0 50 FDAA O=C(Cn1ccc2c(Br)cccc21)N[C@H]1C=CS(=O)(=O)C1 40283588 WWWBAYOTFWLXFT-JTQLQIEISA-N 369.240 1.831 0 50 FDAA CCOCCn1nc(C)cc1C(=O)N1CCOc2ccc(CO)cc2C1 221154651 XIUXIHHQTZDCNC-UHFFFAOYSA-N 359.426 1.755 0 50 FDAA O=C(COC[C@H]1CCCCO1)N1CCN(CCOc2ccccc2)CC1 221407338 OYUQWLRFINUEEA-LJQANCHMSA-N 362.470 1.795 0 50 FDAA COc1cccc(CC(=O)N2CCC[C@@H](c3ccn(CC(=O)O)n3)C2)c1 426409596 ZVLRIFLGSKAKEV-OAHLLOKOSA-N 357.410 1.925 0 50 FDAA O=C(O)CCNC(=O)c1nn(-c2ccc(F)cc2)cc1Br 238193596 CBURCKRDULHMOB-UHFFFAOYSA-N 356.151 1.978 0 50 FDAA Nc1ncccc1CN1CCCn2nc(CCC(=O)NC3CC3)cc2C1 91254819 XXXLWWJTJVPIMK-UHFFFAOYSA-N 354.458 1.477 0 50 FDAA O=C(O)CCn1cc(CN2C[C@@H](C(=O)O)[C@H](c3ccc(F)cc3)C2)cn1 91794018 BPUNHRFKSKYQET-JKSUJKDBSA-N 361.373 1.797 0 50 FDAA O=C(c1cnc(-c2cccnc2)nc1)N1CCN(C2CCOCC2)CC1 95352498 VGOGZZONHDSCSC-UHFFFAOYSA-N 353.426 1.475 0 50 FDAA O=C(NCCNC(=O)[C@H]1CCCN(C2CCCCC2)C1)c1cccnc1 97572271 LEBISPIIEOHGTI-KRWDZBQOSA-N 358.486 1.972 0 50 FDAA O=C1C[C@@H](C(=O)N2CC(Oc3ccccc3F)C2)CN1Cc1ccccn1 95508751 QULAIQCNQSEZOR-CQSZACIVSA-N 369.396 1.859 0 50 FDAA COc1ccc2c(=O)n(CC(=O)N(C)Cc3nc(C)no3)ccc2c1OC 95504769 VPRMBZXNLUQPSJ-UHFFFAOYSA-N 372.381 1.369 0 50 FDAA COc1ccc2c(c1)[C@H](C(=O)NCCCn1nc(C)nc1C)CC(=O)N2 91563545 YFNYYHWCYXWZCF-OAHLLOKOSA-N 357.414 1.536 0 50 FDAA Cc1noc(C)c1CN1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc[nH]c1=O)C2 91665708 XUECTSZPEVTOQJ-LSDHHAIUSA-N 356.426 1.716 0 50 FDAA CN(CCc1noc(C2CC2)n1)C(=O)CCS(=O)(=O)c1ccccc1 244853014 VDQZRCKSCLZUBH-UHFFFAOYSA-N 363.439 1.812 0 50 FDAA Cn1ccnc1[C@@H]1N(S(=O)(=O)c2cccc(-n3cnnn3)c2)CC1(C)C 295408675 WEEUYYBOEKDLRA-AWEZNQCLSA-N 373.442 1.168 0 50 FDAA COc1ccc([C@H](NC(=O)c2cc3c(nc2O)CCC3)[C@H]2C[C@@H](O)C2)cn1 253535060 BNZMQCONDRKYRX-IYOUNJFTSA-N 369.421 1.922 0 50 FDAA COCCc1noc([C@@H](C)NC(=O)N2CCC3(CC2)COC(=O)O3)n1 534588228 YIGSFEYIPFJYMQ-SNVBAGLBSA-N 354.363 1.031 0 50 FDAA Cn1c(CNC(=O)CN2CCC[C@@H](O)C2)nc2cc(C(F)(F)F)ccc21 299770974 OTIXDKNBZXCBEM-GFCCVEGCSA-N 370.375 1.665 0 50 FDAA Cc1noc(C)c1CN1CC[C@@H](NC(=O)CCCn2ccnc2)[C@H](O)C1 299797594 OLWXMVYUKBOJHR-IAGOWNOFSA-N 361.446 1.020 0 50 FDAA C[C@H](CC(=O)NCCc1nc2ccc(Cl)cc2[nH]1)N1CCOCC1 299787181 VODKUPLXTUUKFP-GFCCVEGCSA-N 350.850 1.986 0 50 FDAA COCc1ccc(C(=O)N[C@@H]2CCN(Cc3c(C)noc3C)C[C@H]2O)o1 299802534 YUTKEFXOTFHILD-HZPDHXFCSA-N 363.414 1.396 0 50 FDAA CCN1C[C@@H](CNC(=O)c2ccc(-c3cnc4nncn4c3)cc2)CC1=O 584895386 RUNVNBLFNSSDMY-CYBMUJFWSA-N 364.409 1.390 0 50 FDAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cnc(Nc2ccccc2)nc1 1565512903 QBKWTJPAEXINSZ-YVSFHVDLSA-N 353.426 1.668 0 50 FDAA O=C(O)[C@H](CNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)Cc1ccccc1 268901571 FSSKHXXEKOCYHS-QWHCGFSZSA-N 372.343 1.457 0 50 FDAA CC(C)OCCS(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2O)CC1 269661994 CXQYIXGVLXAZAB-UHFFFAOYSA-N 374.434 1.044 0 50 FDAA Cc1c(Cl)cc(C(=O)O)cc1S(=O)(=O)N1CCC[C@@H](C(N)=O)C1 273694719 CBDWYAYXXSYBPU-SECBINFHSA-N 360.819 1.233 0 50 FDAA O=C(Nc1ccc(OC(F)F)c2cccnc12)N1C[C@@H](O)C[C@H]1CO 274877672 YBTPWMFOUPQETQ-UWVGGRQHSA-N 353.325 1.796 0 50 FDAA Cn1ccnc1CN(Cc1cnc2cnccn12)[C@H]1CC12CCNCC2 275563940 FVXJWMAGPGPQPA-INIZCTEOSA-N 351.458 1.607 0 50 FDAA Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)NCc2ccco2)no1 275925775 KHHXSMIXPUUORF-STQMWFEESA-N 351.382 1.725 0 50 FDAA CC(C)c1cc(C(=O)N2CC[C@H](N(C)Cc3nccc(N)n3)C2)cc(O)n1 276375643 IZFHLFPFPRBBGQ-AWEZNQCLSA-N 370.457 1.629 0 50 FDAA C[C@@H]1CN(C(=O)c2ccc(CN3C(=O)[C@@H]4CCCN4C3=O)cc2)C[C@@H](C)O1 170592523 NAROGDXDTWALNV-CPUCHLNUSA-N 371.437 1.863 0 50 FDAA CN(C)CCNC(=O)C1=NOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 170597733 JXPVQJCYNFIIKY-UHFFFAOYSA-N 354.451 1.210 0 50 FDAA O=C(N[C@@H]1CCCn2ncnc21)c1sccc1S(=O)(=O)C(F)F 170656719 WHIVYTVORMWQEP-SSDOTTSWSA-N 362.383 1.601 0 50 FDAA C=CC(=O)N(CC)CC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1 909369565 DMDIIYRYDNZGBZ-CQSZACIVSA-N 369.462 1.163 0 50 FDAA COC[C@@H]1CCCN(S(=O)(=O)NCc2ccc3c(c2)OCCCO3)C1 1506399874 KGOWEARKYISXKU-OAHLLOKOSA-N 370.471 1.541 0 50 FDAA O=C(NCC1(O)CCCCC1)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1529152855 ZVVSAXHPGZKQQI-MSOLQXFVSA-N 373.453 1.324 0 50 FDAA O=C(c1ccc(NC[C@H](O)CN2CCCCCC2)nc1)N1CCOCC1 1704302855 DUHCCFWAXLNQOO-KRWDZBQOSA-N 362.474 1.203 0 50 FDAA Cc1cc(C[C@@H]2CN(c3nc(N(C)C)nc4c3CCCC4)C[C@H]2O)n[nH]1 1704339690 WTHQXCCMICCVEH-CXAGYDPISA-N 356.474 1.493 0 50 FDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1ccc(Cl)s1 1704300908 ZDWSXUUPPJUHHT-DTWKUNHWSA-N 352.865 1.038 0 50 FDAA CC1(CNC(=O)c2c(N3CCOCC3)noc2-c2ccccc2)COC1 1704324489 AAZFHAIPSYQOMO-UHFFFAOYSA-N 357.410 1.945 0 50 FDAA CN1CC[C@@H]2CN(C(=O)c3cc(-c4ccccc4)on3)C[C@]2(C(=O)O)C1 212610192 ONODHCWNZGMWLF-AUUYWEPGSA-N 355.394 1.820 0 50 FDAA O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)NCCO 5044007 JMUJCWWHEAIFGT-UHFFFAOYSA-N 358.435 1.258 0 50 FDAA CCc1cc(CNC(=O)C[C@@H]2C(=O)NCCN2CCc2ccccc2)on1 12373507 RUPKOMVEZIKRLT-GOSISDBHSA-N 370.453 1.286 0 50 FDAA CN(CCc1cn[nH]c1)C(=O)[C@H]1CCC(=O)N(CCc2ccccc2)C1 12592899 RLFIADSWESQRKR-SFHVURJKSA-N 354.454 1.892 0 50 FDAA O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCN(CC3CCCCC3)C[C@H]12 14751304 UVVVBHCRNNYFTG-RBUKOAKNSA-N 371.481 1.526 0 50 FDAA COc1ccc(Cl)cc1N1C(=O)C[C@H](N2CCC(C(N)=O)CC2)C1=O 18029930 WSBJYDGASYFKAX-ZDUSSCGKSA-N 365.817 1.178 0 50 FDAA CCN1CCN(CC(=O)N2CCC[C@@H](N(C)CCc3ccccn3)C2)CC1 19839689 SPKVLVJMGDMDQB-HXUWFJFHSA-N 373.545 1.184 0 50 FDAA COC(=O)[C@@H]1[C@H](c2ccc(OC)c(OC)c2)c2c(O)n[nH]c2C[C@]1(C)O 169620998 QBLGRWTYFRDGFV-XUWXXGDYSA-N 362.382 1.361 0 50 FDAA Cc1cc(N)n(CC(=O)N2CCc3c(-c4ccccc4)nn(C)c3CC2)n1 1857669171 YRRXHFVXTREDFJ-UHFFFAOYSA-N 364.453 1.802 0 50 FDAA Cc1cc(C)n2ncc(-c3nccn3Cc3nc(-c4cnccn4)n[nH]3)c2n1 1857681865 PHGFGDUKNBPYOB-UHFFFAOYSA-N 372.396 1.833 0 50 FDAA Cc1cc(C(=O)N[C@@H]2[C@H]3CC[C@@H]2CN(C(=O)[C@@H]2CCCO2)C3)cc(O)n1 1857691399 JMTGFAFUWJMBKR-UICACZKSSA-N 359.426 1.241 0 50 FDAA Cc1ccsc1-c1nc(=NC(=O)NCCN2CCCOCC2)s[nH]1 333504427 DEIZOGQMSQDIGB-UHFFFAOYSA-N 367.500 1.841 0 50 FDAA CC(C)NC(=O)c1cn(CCN2CCN(C3CCCCCC3)CC2)nn1 20779171 BFOPQNIYPGDWBN-UHFFFAOYSA-N 362.522 1.757 0 50 FDAA O=C(Cn1nnc2c1CCCC2)Nc1nccc(Br)c1O 913025079 HSKOVTZYUFOZLS-UHFFFAOYSA-N 352.192 1.659 0 50 FDAA CNC(=O)[C@H]1CN(C(=O)c2c(C(C)C)n[nH]c2C)C[C@@H]1c1cnn(C)c1 375731132 BWJBHKPMHHWMSP-KGLIPLIRSA-N 358.446 1.177 0 50 FDAA C[C@@H](C(=O)O)N(C)C(=O)[C@H]1CCN(c2ccccc2Br)C1=O 263232023 AZGGCEYRUOKNIV-VHSXEESVSA-N 369.215 1.734 0 50 FDAA Cn1cc(CNC(=O)c2c[nH]nc2[C@@H]2CCCCN2)c(C(F)(F)F)n1 952849201 RTPHIAKRLUBVIJ-NSHDSACASA-N 356.352 1.907 0 50 FDAA CC[C@@H]1CCCN1C(=O)C(=O)N1CCc2nnc(N3CCCC3)cc2C1 952893410 LXNVGJRXIFGJRO-OAHLLOKOSA-N 357.458 1.363 0 50 FDAA O=C(Cc1cccc(F)c1F)N[C@@H]1CCN(C(=O)CCn2ccnc2)C1 1875326324 PWJXIYCMKSEYTR-CQSZACIVSA-N 362.380 1.511 0 50 FDAA C=CC(=O)N1CC2(CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3cnn(C(C)C)c3)O2)C1 1875389102 BUYVFFPTHDSSBH-IXDOHACOSA-N 372.469 1.630 0 50 FDAA C=CC(=O)N1CCC(C(=O)N[C@@]2(C(=O)OC)COc3ccccc3C2)CC1 1875366112 MUSZVPTYEJKFKJ-HXUWFJFHSA-N 372.421 1.074 0 50 FDAA O=C(CCc1cnn[nH]1)N[C@@H]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](F)C1 1875407434 ZUMPLYWHYVPNTE-SFDCQRBFSA-N 351.426 1.277 0 50 FDAA CC(=O)NCc1cc(O[C@@H]2CCN(CC(=O)Nc3cc(C)no3)C2)ccn1 886050417 LPLSBWRTNPTEEG-MRXNPFEDSA-N 373.413 1.106 0 50 FDAA CO[C@@H]1CN(Cc2c[nH]nc2-c2ccccc2F)C[C@H]1c1cn(C)nn1 886094067 QIEAMDZEALDYHY-WMLDXEAASA-N 356.405 1.959 0 50 FDAA O=C(NCc1ccc(-c2ncon2)cc1)[C@H]1CC(=O)N(c2nccs2)C1 1177334925 DVUXCLMDBHQRFF-ZDUSSCGKSA-N 369.406 1.862 0 50 FDAA CC[C@@H](C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 629442 KZZDZDBAJIZPCE-LLVKDONJSA-N 359.405 1.832 0 50 FDAA CCc1cccc(CC)c1S(=O)(=O)N1CC23COCC2(COC3)C1 2325782593 LDUNBBWWONRYAS-UHFFFAOYSA-N 351.468 1.849 0 50 FDAA O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@@H]1CCCN(c2cnccn2)C1 2325782974 QAJNQXXZNZXCPA-SIIHOXLZSA-N 354.410 1.304 0 50 FDAA COc1ccc(N(CC(N)=O)S(=O)(=O)c2ccc(C)cc2)cc1OC 857960 QWJJWZZZFMJLDQ-UHFFFAOYSA-N 364.423 1.693 0 50 FDAA Cc1cnn(-c2cc(N3CC[C@](O)(c4ccccc4)[C@@H](O)C3)ncn2)c1 2356137102 FRHVMRGOINGZOM-LPHOPBHVSA-N 351.410 1.430 0 50 FDAA COc1ccc(-c2onc(N3CCO[C@]4(CCNC4)C3)c2C(=O)O)cc1 2356137524 OKKXUCHDQQOBFC-SFHVURJKSA-N 359.382 1.617 0 50 FDAA Cn1ccnc1C(=O)N1CC[C@@H](O)[C@](Cc2cccc(F)c2)(C(=O)O)C1 2356143909 CFLAWGOGJLNNFU-RDTXWAMCSA-N 361.373 1.080 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367.361 1.698 0 50 FDAA CNC(=O)c1ccc(C)c(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)c1 172334955 RJMLUWRNNCRQLM-MRXNPFEDSA-N 374.485 1.931 0 50 FDAA CNc1ccnc(N2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)n1 67847195 UFFPJLWGRASMTL-UHFFFAOYSA-N 351.414 1.776 0 50 FDAA CCNc1cc(NCCNS(=O)(=O)c2ccc(F)cc2)nc(C)n1 65365778 RLOVIMRNQLFRLL-UHFFFAOYSA-N 353.423 1.746 0 50 FDAA Cc1c(C(=O)N2CCCN(S(C)(=O)=O)CC2)n(C)c2ccc(F)cc12 216050511 KDBJFMLRZRELPU-UHFFFAOYSA-N 367.446 1.733 0 50 FDAA C[C@H]1CN(C[C@@H]2CCCN2C(=O)[C@H]2COc3ccccc3O2)C[C@@H](C)O1 252458531 OQOCMGYSRWNGOM-CYJAXWMASA-N 360.454 1.927 0 50 FDAA NC(=O)NCCN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 2555699 HAGHPWILLWSQLZ-UHFFFAOYSA-N 351.760 1.544 0 50 FDAA CCn1ncc(Br)c1C(=O)Nc1cn(C)nc1C(=O)NC 2798989 UIMBNTARYOKICU-UHFFFAOYSA-N 355.196 1.011 0 50 FDAA CCn1cc(Cl)c(CN(C)C(=O)C2CCN(S(C)(=O)=O)CC2)n1 2804405 LHXRJUIFMGVKIM-UHFFFAOYSA-N 362.883 1.186 0 50 FDAA CN(Cc1nccn1Cc1ccccc1)C(=O)[C@H]1CC2(CCNCC2)CN1 72144420 WASTXHUJUCHOMD-GOSISDBHSA-N 367.497 1.622 0 50 FDAA CN(C)C[C@@]1(O)CCN(Cc2cnc3c(-c4ccccc4)cnn3c2)C1 72424459 XEPWRKBZMHTHPG-FQEVSTJZSA-N 351.454 1.895 0 50 FDAA Cn1ncc2c(NCCN3CCCC[C@@H]3CO)nc(-c3cccnc3)nc21 72167445 RHTTYPWZTPTUAR-OAHLLOKOSA-N 367.457 1.684 0 50 FDAA CCCc1ncc(C(=O)N2CCS(=O)(=O)C[C@@H]2c2cnn(C)c2)s1 328618015 DGXLZDVULFIKNP-GFCCVEGCSA-N 368.484 1.441 0 50 FDAA CCN1CCCC[C@H]1C(=O)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1 328635945 VEHUGFDVXADLSJ-ROUUACIJSA-N 373.501 1.851 0 50 FDAA CCOC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1c(C)nn(C)c1Cl 77438281 RMCFAZYFPRBLID-NSHDSACASA-N 363.867 1.878 0 50 FDAA Cc1nc(CN2CCC[C@@H](N(C)C(=O)c3cc(N(C)C)ccn3)C2)no1 363280770 RNQMDNPVCJIRFA-OAHLLOKOSA-N 358.446 1.576 0 50 FDAA CN(C(=O)NC[C@H]1CC[C@H](C(N)=O)O1)C1CCN(Cc2ccccc2)CC1 154308909 ZWBHZWADEFZNIR-QZTJIDSGSA-N 374.485 1.325 0 50 FDAA Cc1cc(NS(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)no1 330061482 OJAMTHVZHQUYNX-UHFFFAOYSA-N 371.440 1.568 0 50 FDAA COc1ccc(F)c(CN2CCC[C@]3(CCN(C(CO)CO)C3)C2=O)c1 72425478 VOVJEAOZZNGGIZ-LJQANCHMSA-N 366.433 1.002 0 50 FDAA CC(C)NC(=O)N1CCc2ccc(S(=O)(=O)NC3CCC3)cc2C1 77503463 JKCDUBVRQHZAFB-UHFFFAOYSA-N 351.472 1.994 0 50 FDAA CCO[C@H]1C[C@@H]1C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 331364128 BBXCRUBUEWILTI-RYUDHWBXSA-N 372.409 1.226 0 50 FDAA Cn1cc([C@@H]2CN(C(=O)Cc3cc(F)c(F)cc3F)C[C@H]2CO)cn1 369323423 XEVRANPKTQRTPQ-STQMWFEESA-N 353.344 1.614 0 50 FDAA Cc1nc([C@@H]2CCCN(C(=O)COC(C)C)C2)cc(N2CCOCC2)n1 72463869 ACYFICNQYDBOMG-MRXNPFEDSA-N 362.474 1.753 0 50 FDAA C[C@H](NS(C)(=O)=O)C(=O)N(C)Cc1csc(-c2ccccc2)n1 72430246 PUNRTVOUBUCWGI-NSHDSACASA-N 353.469 1.706 0 50 FDAA C[C@H](OCC(=O)N(C)C1CCN(c2cnccn2)CC1)c1nccn1C 377060042 FPFAIOCHGZYDFK-AWEZNQCLSA-N 358.446 1.415 0 50 FDAA CN(C)C[C@@H]1CCc2ccccc2N1C(=O)[C@@H]1CCc2nnn(C)c2C1 333353580 FXPOMCWCKUIVGQ-CVEARBPZSA-N 353.470 1.830 0 50 FDAA O=C(CN1N=N[C@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@H]21)Nc1ccccc1 18162319 UZSNMXSIOZYJFM-CVEARBPZSA-N 367.340 1.758 0 50 FDAA COc1cccc2c1NC(=O)C[C@@H]2C(=O)N1CCC(c2ncon2)CC1 426372081 NSZDMEUGADSOAZ-ZDUSSCGKSA-N 356.382 1.910 0 50 FDAA Cc1nnc(NC(=O)CCCC(=O)N2CCN(c3ccccn3)CC2)s1 40286623 SGDBVCSWYMYDIS-UHFFFAOYSA-N 374.470 1.699 0 50 FDAA O=C1COc2c(cc(Cl)cc2NC(=O)NCc2nncn2C2CC2)N1 287526500 GGMURRXXYDSFBO-UHFFFAOYSA-N 362.777 1.919 0 50 FDAA COC(=O)c1cncc(-c2ccc(C(=O)NC[C@@]3(O)CCCNC3)cc2)c1 426359419 CZVFIVOWQCQLNE-HXUWFJFHSA-N 369.421 1.380 0 50 FDAA O=C(COCc1ccccc1)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 426620311 YBHHPOPUEOXSFC-DMUMMCEESA-N 361.438 1.218 0 50 FDAA Cc1cc(C)nc(CCNC(=O)Nc2cc(-c3nnn(C)n3)ccc2C)n1 426487499 QRAYNYAXUDJNFZ-UHFFFAOYSA-N 366.429 1.957 0 50 FDAA CN1C(=O)C[C@@H](c2nc(Cn3cncn3)nn2Cc2ccccc2)C1(C)C 96130794 CWWNDTJFESCXPG-HNNXBMFYSA-N 365.441 1.691 0 50 FDAA Cc1cc(C(=O)N2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)nc(C)n1 91595575 MGBPEOZIWZFATE-UHFFFAOYSA-N 373.501 1.500 0 50 FDAA Cc1[nH]c(=O)c(C(=O)N2CCN([C@H]3CCCC[C@@H]3O)CC2)c(C)c1Cl 97819650 OATIXKWIJFVNPM-KBPBESRZSA-N 367.877 1.706 0 50 FDAA CC(=O)N[C@@H]1CN(C(=O)c2ccc(C)[nH]c2=O)C[C@H]1c1ccc(C)cc1 95528219 UDHGJVAJHWBUHC-ZWKOTPCHSA-N 353.422 1.736 0 50 FDAA Cc1cccc([C@@H](C(=O)N2CC34CN(C)CC3(CN(C)C4)C2)N(C)C)c1 91809155 LAQHAPWUAVEETA-PELRDEGISA-N 356.514 1.304 0 50 FDAA CC[C@H](NC(=O)CN1CCC(C(N)=O)CC1)c1nc2cc(C)ccc2[nH]1 92065978 ROKBGPVTUZQGHA-AWEZNQCLSA-N 357.458 1.636 0 50 FDAA COc1ccc(-c2ccc(C(=O)NCCN3CCC[C@H](C(N)=O)C3)o2)cc1 96133155 VJWVNOCSERXVBE-HNNXBMFYSA-N 371.437 1.882 0 50 FDAA O=S1(=O)C=C[C@H](Cc2nc(Cn3cncn3)nn2-c2cccc(F)c2)C1 96154149 RNXHTVBIYCOWMW-GFCCVEGCSA-N 374.401 1.147 0 50 FDAA CCc1ocnc1C(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1cnccn1)C2 91848741 RHFRHAZIRLZGNP-QWHCGFSZSA-N 355.398 1.404 0 50 FDAA Cc1nc(CNC(=O)[C@H]2CCC(=O)N(CCCc3ccccc3)C2)n[nH]1 92062159 HMHBSUSHPCDBND-INIZCTEOSA-N 355.442 1.601 0 50 FDAA COc1ccc(F)cc1C(=O)N1CCC2(CC1)[C@@H](C(=O)O)CC(=O)N2C 95370197 OTSLVUHOIIBUOH-CYBMUJFWSA-N 364.373 1.372 0 50 FDAA CN(Cc1n[nH]c2c1CCCC2)C(=O)Cn1cnc2ccccc2c1=O 91643265 BPEAUMHTABKPDF-UHFFFAOYSA-N 351.410 1.657 0 50 FDAA CC[C@H](CO)N(Cc1ccncc1)C(=O)c1ccccc1-c1nnn[nH]1 97831136 XDTUXBJBQVXVJF-CQSZACIVSA-N 352.398 1.675 0 50 FDAA COc1cncc([C@@H](NC(=O)c2cnc3ccnn3c2C)[C@H]2C[C@@H](O)C2)c1 244831481 UENZTWJAGJXKLM-WRSAYESZSA-N 367.409 1.683 0 50 FDAA Cc1nc2c(C(=O)N3CCC(C(=O)N4CCOCC4)CC3)cccc2[nH]1 283170965 DDZSVTBFVXLLMB-UHFFFAOYSA-N 356.426 1.582 0 50 FDAA COCCn1nnnc1[C@@H]1CN(C(=O)CSc2ccccc2)CCO1 299755394 BSNWAWJDBFVNTB-AWEZNQCLSA-N 363.443 1.012 0 50 FDAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)NCc1cccnc1N 1940196429 LGEFFIXUMFRCEE-UHFFFAOYSA-N 364.405 1.872 0 50 FDAA Nc1nscc1C(=O)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 299794586 KCLIMVMMGOUZKL-ZHTDJMBKSA-N 369.494 1.023 0 50 FDAA COc1ccc(C(=O)N2CCN(C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3N)CC2)cc1 299792532 FZLLDUZIJDRSBJ-ATLSCFEFSA-N 355.438 1.129 0 50 FDAA Cn1cc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCCC2)c(O)nc1=O 299779217 QGJBOLHKVFDCHH-HNNXBMFYSA-N 360.389 1.192 0 50 FDAA CN(CC(=O)NCC[C@@H]1CCCCN1S(C)(=O)=O)Cc1ccccc1 584897509 LAORFYFITIJDAH-KRWDZBQOSA-N 367.515 1.439 0 50 FDAA CC[C@@H](NC(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2C)c1cc(C)ccn1 584886579 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CC(C)Cn1cc(C(=O)N2CCNC(=O)[C@H]2CC(=O)O)c2ccccc21 170044380 YTLLOLRUMLXLKV-MRXNPFEDSA-N 357.410 1.713 0 50 FDAA CC(C)Cc1ccc(C(=O)N2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)cc1 1529178116 JAVRVARTVXPUAG-DLBZAZTESA-N 368.499 1.209 0 50 FDAA CCNC(=O)c1ccc(N2CCC(C(=O)NCc3ccccn3)CC2)nc1 1529119404 WIHKRLIETWAHQZ-UHFFFAOYSA-N 367.453 1.759 0 50 FDAA Cc1cccc(CC(=O)N2C[C@@H]3CC[C@H]2CN(S(=O)(=O)N(C)C)C3)c1 219586394 PDSZXANPSNVUJC-SJORKVTESA-N 365.499 1.267 0 50 FDAA NC(=O)N1CC[C@@H](NC(=O)c2ccc(I)cc2)C1 114137891 VIWXRCPDUKTFJN-SNVBAGLBSA-N 359.167 1.174 0 50 FDAA Cc1cc(C[C@@H]2CN(C(=O)CCc3n[nH]c4c3CCCC4)C[C@H]2O)on1 1704300388 USLRBYOGPHRBHE-FZKQIMNGSA-N 358.442 1.580 0 50 FDAA Cc1cc(N)n(CC(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)n1 1704299443 RTRBLONWKMNTPD-QAPCUYQASA-N 365.437 1.696 0 50 FDAA Cn1cc(C(=O)N2CCCN(c3nccc(N)n3)CC2)c2ccccc21 1772810256 JVMHMVZHVGBGJI-UHFFFAOYSA-N 350.426 1.903 0 50 FDAA CCn1ccc(C(=O)N2CCCN(C(=O)c3ccc(OC)cc3)CC2)n1 1772703583 YIOKLQJJOGZTKN-UHFFFAOYSA-N 356.426 1.900 0 50 FDAA O=C(CCc1ccc(O)nn1)N1CCCN(C(=O)c2ccsc2)CC1 1772701019 AQXVBIHHXMHOSP-UHFFFAOYSA-N 360.439 1.551 0 50 FDAA C[C@@H]1Cc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1 5260598 DAEYIVCTQUFNTM-ABAIWWIYSA-N 369.373 1.919 0 50 FDAA endogenous,in-man Cc1cc(C)n(CCC(=O)N[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)n1 11816641 DANMLEZWPHYPNF-QGZVFWFLSA-N 358.417 1.946 0 50 FDAA CC1(C)Cc2nc(N3CCOCC3)ncc2[C@@H](NC(=O)c2cn[nH]c2)C1 11948636 KEAFNQZYFCTOKK-AWEZNQCLSA-N 356.430 1.480 0 50 FDAA CCN1CCC[C@H]1CN(CC1CCN(CCOC)CC1)C(=O)CCOC 12715303 AQRPVNOXERLWEW-IBGZPJMESA-N 369.550 1.694 0 50 FDAA CN(CCn1cnc2ccccc21)C(=O)c1cc(N2CCOCC2)no1 1857675341 UFUMUBGUBJVUKV-UHFFFAOYSA-N 355.398 1.633 0 50 FDAA O=C(N1CCOCC1)[C@]12COC[C@H]1CN(Cc1cc3ccccc3o1)C2 1857689376 BVERXKIOYVXESD-OXQOHEQNSA-N 356.422 1.740 0 50 FDAA CN1CCC2(CC1)OCCc1cc(C(=O)N3CC[C@@H](CO)C3)sc12 1857690643 IWDJKFQVLSIICN-CYBMUJFWSA-N 350.484 1.696 0 50 FDAA Cc1nn(CCC(=O)N[C@@H]2CCC[C@@H](NC(=O)CN(C)C)C2)c(C)c1C 1857693843 PAHXPCNXXISBDC-IAGOWNOFSA-N 363.506 1.304 0 50 FDAA COCCn1nc(CC(N)=O)nc1CCCc1nc2ccccc2s1 1857728298 WAFFXOASPBLWSB-UHFFFAOYSA-N 359.455 1.737 0 50 FDAA CCCNC(=O)[C@@H]1CCCN(CC(=O)N2CC(=O)Nc3ccccc32)C1 125255367 UMSKZRJGUJERFT-CQSZACIVSA-N 358.442 1.210 0 50 FDAA Cc1c(C(=O)N2CCNCC2)nnn1-c1cccc(Br)c1 237758800 UGYJWFJYCYEPEP-UHFFFAOYSA-N 350.220 1.384 0 50 FDAA COc1cccc(NC(=O)c2cn(CCNC(=O)c3ccccn3)nn2)c1 12123120 ORAQEOSUDAABBO-UHFFFAOYSA-N 366.381 1.364 0 50 FDAA O=C(O)[C@H]1CN(C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)CCO1 262913856 SVMYPDBWEFHLIS-SNVBAGLBSA-N 371.271 1.681 0 50 FDAA CNC(=O)c1ccc(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cn1 264224834 WWLBGGFFFCBLRQ-BETUJISGSA-N 369.425 1.702 0 50 FDAA CN1CCC[C@]2(CO)CCN(S(=O)(=O)c3ccc(F)c(F)c3)C[C@@H]12 1704306974 ZVMPXAMYQJETTJ-HZPDHXFCSA-N 360.426 1.432 0 50 FDAA Cn1cnnc1COCC(=O)N1CC(C)(C)[C@@H]1c1nccn1CC1CC1 952890746 IDDVIBIXVBEHPK-INIZCTEOSA-N 358.446 1.548 0 50 FDAA Cn1nncc1CC(=O)N1CC[C@@](c2nc(C3CC3)no2)(C(F)(F)F)C1 952895157 RRYKJLSOUBQXJY-CQSZACIVSA-N 370.335 1.351 0 50 FDAA Cc1cc2c(cc1C)N(c1nnc([C@@H]3CCN3S(C)(=O)=O)n1C)CC2 952894628 OPNIJHOLQQWTFV-AWEZNQCLSA-N 361.471 1.833 0 50 FDAA O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CC(OCCO)C1 1875287424 KCZDKRLTJRAKLO-UHFFFAOYSA-N 366.215 1.673 0 50 FDAA CNC(=O)c1ccc(CCNC(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)cc1 1875395214 RMLXBXKIOWQRGA-NWDGAFQWSA-N 356.426 1.764 0 50 FDAA CCC(=O)N[C@H](C(=O)N1CCC2(CC1)[C@@H](OC)C[C@H]2O)c1ccccc1 1875321841 XXCVAWVUSNADJD-RYRKJORJSA-N 360.454 1.642 0 50 FDAA CN[C@H](C)CNC(=O)c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C 1875312552 OKAUVEGMVBNZCC-SNVBAGLBSA-N 355.364 1.991 0 50 FDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(CC3CCOCC3)C3COC3)nn(C)c21 1875404132 WGVYNEFTCWNSIE-OLZOCXBDSA-N 363.458 1.710 0 50 FDAA COC1(C(=O)N2CC3(CCN(C(=O)[C@H]4CCc5c[nH]nc54)C3)C2)CCC1 1875406817 MXJVDMBULSCGDK-AWEZNQCLSA-N 358.442 1.070 0 50 FDAA C[C@H]1C[C@@H]1C(=O)N1CC[C@H](NC(=O)c2nc[nH]c3ncnc2-3)C(C)(C)C1 1875407283 WTOYNLIUMMWQSH-SRVKXCTJSA-N 356.430 1.317 0 50 FDAA CC1(C)CC(C)(C(=O)N2C[C@H]3CN(C(=O)c4cnc(=N)[nH]c4)C[C@H]3C2)C1 1875407372 YEMBLIUFDQBABI-OKILXGFUSA-N 357.458 1.246 0 50 FDAA Cc1ocnc1C(=O)N1NC(=O)C[C@@]12CCN(Cc1ccn(C(C)C)n1)C2 888103755 XHXCQGUATSRJRK-GOSISDBHSA-N 372.429 1.282 0 50 FDAA CNc1cc(N2C[C@H](O)C[C@@H]2CNCc2ccc3c(c2)C[C@H](C)O3)ncn1 2325785278 NLDUHILSMMQAIC-IAOVAPTHSA-N 369.469 1.571 0 50 FDAA CO[C@@H](C(=O)N1[C@H]2CC[C@H]1C(=O)NC2)c1ccc(Br)cc1 2325798554 ADYPGNYZJMBNSS-RWMBFGLXSA-N 353.216 1.626 0 50 FDAA COC[C@H](C)n1cc(C(=O)N2CC(N3CCC(CCO)CC3)C2)c(C)n1 2325810734 APTAIEJQXISKIK-AWEZNQCLSA-N 364.490 1.318 0 50 FDAA CCN(CC)[C@H](CN[C@@H]1CS(=O)(=O)C[C@H]1O)c1ccccc1Cl 245237035 CPLAMSYXXHLRLI-BZUAXINKSA-N 360.907 1.470 0 50 FDAA Cc1cccc(Cn2c(N3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 839529 AETPWJMEIXGCNZ-UHFFFAOYSA-N 353.426 1.770 0 50 FDAA COc1ccc2c(c1)[C@H](C(=O)NCc1cccc3ncnn13)CC(=O)N2 2356146710 RIDDURWRWRRUKM-CQSZACIVSA-N 351.366 1.480 0 50 FDAA C[C@]1(O)CC2(CCN(C(=O)CCn3cnc4ccccc43)CC2)OC[C@@H]1O 2356159087 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357.410 1.610 0 50 FDAA Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)c2n[nH]c3c2CCCC3)cn1 222491822 ZJXKONBITFWROE-SJORKVTESA-N 356.426 1.958 0 50 FDAA Cc1ccc(CNC(=O)[C@H]2CCC(=O)N(CCCN3CCOCC3)C2)cc1 19225320 RNCZOMGLXSVSFD-IBGZPJMESA-N 373.497 1.572 0 50 FDAA Cc1nc(S(=O)(=O)N2CCC(c3nc(C(C)C)no3)CC2)cn1C 130871994 CZJMLAQTBBTNMH-UHFFFAOYSA-N 353.448 1.803 0 50 FDAA COc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccccn3)n2)cc1 44893805 YWWIRWLTFQHKBN-UHFFFAOYSA-N 350.378 1.630 0 50 FDAA COCCN1CC2(CCC1=O)CCN(Cc1ccc(C(N)=O)cc1)CC2 91519429 XYIDFPCNVYCDBX-UHFFFAOYSA-N 359.470 1.637 0 50 FDAA COc1ccccc1OC1CN(C(=O)Cn2ncc3ccccc3c2=O)C1 91435110 LWICTLAYRWKQBG-UHFFFAOYSA-N 365.389 1.695 0 50 FDAA Cc1cc(O)c2cccc(C(=O)NCCN3CCC[C@@H](C(N)=O)C3)c2n1 426411141 BMUQZYVVRAZTGU-CYBMUJFWSA-N 356.426 1.176 0 50 FDAA COCCCN1CCC[C@]2(CCN(Cc3[nH]cc(C)c(=O)c3C)C2)C1=O 91792850 WYMNREBITSYBDD-HXUWFJFHSA-N 361.486 1.843 0 50 FDAA COc1cc2[nH]c(=O)[nH]c2cc1NC(=O)N(C)CCCc1cnn(C)c1 95506867 YFRZSKHOHCBRQV-UHFFFAOYSA-N 358.402 1.695 0 50 FDAA CC(=O)c1ccc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)s1 91435003 OTRIQKMKPWKYFO-SFHVURJKSA-N 364.467 1.788 0 50 FDAA CN1CCC(Cc2nc(-c3c[nH]c(=O)c(Cl)c3)n(CC(=O)O)n2)CC1 97492613 OACHUQBHGNERIY-UHFFFAOYSA-N 365.821 1.256 0 50 FDAA c1nc(COc2ccc3nncn3n2)n(Cc2ccc3c(c2)OCO3)n1 97098954 AKFSPLNZRHVAEN-UHFFFAOYSA-N 351.326 1.072 0 50 FDAA CS(=O)(=O)N1CCC[C@@H]1C(=O)NOCc1ccc(C(F)(F)F)cc1 178992054 HOZHDYHSBRWKNB-GFCCVEGCSA-N 366.361 1.677 0 50 FDAA COc1cccc(C)c1NC(=O)N1CCN(CCN2CCOCC2)CC1 96140272 HFBCYUBSZKYBMS-UHFFFAOYSA-N 362.474 1.485 0 50 FDAA Cc1cc(C(F)(F)F)nn1CCNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 92096896 GBZIOROHOHZIQV-LLVKDONJSA-N 360.380 1.974 0 50 FDAA COc1cccn(CC(=O)N(C)Cc2ccccc2-n2cccn2)c1=O 95510923 APLBVPSAPIOFKK-UHFFFAOYSA-N 352.394 1.701 0 50 FDAA O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N(Cc1cocn1)Cc1cocn1 97776134 BNFGEIBONVSHOV-CYBMUJFWSA-N 358.398 1.983 0 50 FDAA Cc1ccc(C(=O)N2CCC3(CCC(=O)N(CC(N)=O)C3)CC2)c(O)c1 91526560 UDIGEJRNIGJJOI-UHFFFAOYSA-N 359.426 1.031 0 50 FDAA O=S1(=O)CC[C@H](n2nc(COc3ccccc3)nc2-c2cnccn2)C1 95523018 KOHAGMFORPCNGO-ZDUSSCGKSA-N 371.422 1.674 0 50 FDAA O=C(NCCCO)[C@H]1CCCN(Cc2cc(=O)c3cc(F)ccc3[nH]2)C1 91493709 LWKWVRKDPKLXHW-ZDUSSCGKSA-N 361.417 1.378 0 50 FDAA COCCC(=O)N1CCC[C@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 91793979 IHLHGTJZTKYJBU-IBGZPJMESA-N 360.458 1.553 0 50 FDAA COCCN1CCC[C@@]2(CCN(Cc3cc(=O)n4ccccc4n3)C2)C1=O 91915506 FFIOXTOHIHOBNZ-FQEVSTJZSA-N 370.453 1.155 0 50 FDAA Cc1noc(CN2CCC3(CCC(=O)N([C@H]4CC[C@H](O)CC4)C3)CC2)n1 247972406 SXIFBLKNXYIEEF-WKILWMFISA-N 362.474 1.886 0 50 FDAA Cc1ccc(C(=O)N2CCC(NC(=O)CN3CC[C@@H](N(C)C)C3)CC2)cc1 244734900 NNQUPXUGNDWAIE-LJQANCHMSA-N 372.513 1.352 0 50 FDAA Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CCN(Cc2cccnc2)C[C@H]1O 252481938 CVSOFCWWDXVXRO-RTBURBONSA-N 371.485 1.116 0 50 FDAA C[C@H]1CCN(S(=O)(=O)c2sccc2Br)[C@H]1C(=O)O 299899650 CLOOUHYPCGUSEN-POYBYMJQSA-N 354.247 1.994 0 50 FDAA COCCCN1CC[C@@H](CNC(=O)N2CCN(c3cccnc3)CC2)C1 534589107 FORWKCGJKBUYBN-KRWDZBQOSA-N 361.490 1.272 0 50 FDAA CCc1cccc(C)c1N1C[C@H](C(=O)NCCN2CCCOC2=O)CC1=O 299777484 NYDHDNUTBMTMSM-MRXNPFEDSA-N 373.453 1.869 0 50 FDAA CN(C)C(=O)CN1CC[C@@H](Nc2nc3ccc(Cl)cc3s2)[C@H](O)C1 299797104 QBHRWNMMDDVNQQ-DGCLKSJQSA-N 368.890 1.885 0 50 FDAA O=C(NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2)c1cccc(O)c1 299788100 WLJRQIPOGJOFGB-UHFFFAOYSA-N 354.410 1.661 0 50 FDAA Cc1nn(C)c(C)c1-c1cc(C(=O)N(C)Cc2nncn2C(C)C)n(C)n1 299778406 IZWHVCFEAJUUSV-UHFFFAOYSA-N 370.461 1.882 0 50 FDAA Cc1nc(C)c(CC(=O)NC2CCN(Cc3cccc(O)c3)CC2)c(O)n1 299773661 FCPAKAHFTDHODA-UHFFFAOYSA-N 370.453 1.828 0 50 FDAA CN(C)CCN1C(=O)N[C@](Cc2cccc(F)c2)(C2CCNCC2)C1=O 299780719 CJXSSUKDPVKUIB-LJQANCHMSA-N 362.449 1.220 0 50 FDAA Cc1cccc(=O)n1CCCNC(=O)N1CCC[C@@H](CS(C)(=O)=O)C1 584890376 SZQNCJVJMZCDDU-OAHLLOKOSA-N 369.487 1.013 0 50 FDAA Cc1nnc(SCCCNC(=O)c2cc3n(n2)CCN(C)C3)s1 65455653 CNYUGSZPHUPNGQ-UHFFFAOYSA-N 352.489 1.401 0 50 FDAA C[C@@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)[C@H]1CCCN(CC(N)=O)C1 952873023 USWHBUGTXCFXLM-HOCLYGCPSA-N 369.469 1.793 0 50 FDAA O=C(O)c1ccc(S(=O)(=O)NCC2(N3CCOCC3)CC2)c(Cl)c1 277525651 OIYFNCPHNAGONW-UHFFFAOYSA-N 374.846 1.181 0 50 FDAA Cc1nc2ncnn2c(C)c1CCC(=O)N1C[C@@H](C)OC2(CCOCC2)C1 279175534 HVARBEYFQRNJOW-CYBMUJFWSA-N 373.457 1.470 0 50 FDAA C[C@@H]1CN(C(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)CCN1 188370729 FIJJPGUUDADMNY-SECBINFHSA-N 357.311 1.859 0 50 FDAA COc1cccc([C@H](O)C(=O)N2CCN(c3cc(C4CC4)n[nH]3)CC2)c1 189992223 JAWFPOBMFJSPGH-SFHVURJKSA-N 356.426 1.678 0 50 FDAA C[C@@](CNC(=O)C1CCN(c2cnccn2)CC1)(C(=O)O)c1ccccc1 193091513 GCKWHXLREKHIQQ-FQEVSTJZSA-N 368.437 1.852 0 50 FDAA Cc1ccc(-c2nnc(NC(=O)C[C@@H]3C(=O)N(C)C(=O)N3C)s2)cc1 1506422607 RKQALSKFSYNYCX-LLVKDONJSA-N 359.411 1.735 0 50 FDAA COC[C@H]1CCCN(S(=O)(=O)NCc2nc(-c3ccccc3)n[nH]2)C1 1506414656 HUNUTHDPQXXYGR-ZDUSSCGKSA-N 365.459 1.165 0 50 FDAA Cc1nn[nH]c1C(=O)N1CCCN(C(=O)c2csc(C(C)C)n2)CC1 1529133094 BGTCTRHEJHRJJT-UHFFFAOYSA-N 362.459 1.681 0 50 FDAA Cc1ccc(F)c(CN2CCCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)c1F 1529134338 XFSMKSNDGNGVRB-CQSZACIVSA-N 365.424 1.834 0 50 FDAA O[C@H]1CN(Cc2nccs2)CC[C@@H]1N1CCN(c2ccccn2)CC1 206462810 UEUNKILICRQUFK-HOTGVXAUSA-N 359.499 1.296 0 50 FDAA O=C(c1cnccn1)N1CCC(N[C@H]2COC[C@H]2Cc2ccncc2)CC1 1704298596 AIHSRFLJFKIIAI-APWZRJJASA-N 367.453 1.324 0 50 FDAA CN(C(=O)CCNC(=O)c1ccc(F)cc1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704357095 BXHIAIRNWANZRI-IJEWVQPXSA-N 361.417 1.319 0 50 FDAA CN(C1CCNCC1)S(=O)(=O)c1c(F)cccc1Br 237123057 ZDJPSGMYVOBEQP-UHFFFAOYSA-N 351.241 1.961 0 50 FDAA Cc1ccc(CC(=O)N2C[C@H]3CN(Cc4nccn4C)C[C@@]3(CO)C2)cc1 1772807260 TWYGTQPKNZNOKD-NQIIRXRSSA-N 368.481 1.224 0 50 FDAA COC(=O)c1sc(NC(=O)CSc2nc(C)cc(=O)[nH]2)nc1C 11902970 IQFSTJVXXIFARP-UHFFFAOYSA-N 354.413 1.361 0 50 FDAA COCCCNCc1ccc(OC)c(OC[C@@H](O)CN(C)C(C)C)c1 12301090 ORQYNBNYOLMMJR-KRWDZBQOSA-N 354.491 1.901 0 50 FDAA COc1ccc(S(=O)(=O)N2CCN(C(=O)C(C)C)CC2)cc1OC 12381853 KCLHZMBLRZQKJA-UHFFFAOYSA-N 356.444 1.193 0 50 FDAA COCCNS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCC2)c1 16650377 VKKQWTACRJWCHN-UHFFFAOYSA-N 358.485 1.569 0 50 FDAA Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)C3CCCCC3)CC2)n1 17012150 RQFOXROIOXVCKQ-UHFFFAOYSA-N 373.501 1.851 0 50 FDAA Cc1cccc2nc([C@H]3CCCN3C(=O)c3cc(-n4cnnn4)n[nH]3)[nH]c12 1857675036 IOIWROKEAYPYPT-CYBMUJFWSA-N 363.385 1.547 0 50 FDAA COCCC1(NC(=O)[C@H]2CC(=O)N(c3nnc(C(C)C)s3)C2)CC1 1857712974 PQDLVQXSRCOKRV-NSHDSACASA-N 352.460 1.700 0 50 FDAA O=C(Cc1cc[nH]n1)N1CC[C@@]23O[C@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857721690 BIXVIQMZOGEPGO-FCEWJHQRSA-N 352.394 1.253 0 50 FDAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)c4cnc(C5CC5)nc4)[C@@H]2CC(=O)N13 1857733488 MCNZFFMOVRHFRS-KHYOSLBOSA-N 356.426 1.552 0 50 FDAA N[C@@H]1CC[C@H](C(=O)NC2CCN(Cc3ccccc3Cl)CC2)C[C@H]1O 1857735710 HQBJCKSIDARFCN-MORSLUCNSA-N 365.905 1.909 0 50 FDAA CC(C)CN1CCN(C(=O)C2CCN(c3cnccn3)CC2)[C@@H](C)C1=O 332402297 UUJFDNHUBMLRGT-HNNXBMFYSA-N 359.474 1.408 0 50 FDAA CN(C(=O)c1cccs1)c1ccccc1C(=O)N1CC[C@@H](CO)[C@@H](O)C1 546693286 CXRBYDYQVMPYPY-BBRMVZONSA-N 374.462 1.840 0 50 FDAA O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@H]1CSCN1 155667381 OYEQYTIEBRTSTD-PSASIEDQSA-N 351.255 1.512 0 50 FDAA COC(=O)[C@@H]1CCc2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C1 865213836 IRJDECLKSTZDNJ-VXGBXAGGSA-N 366.418 1.322 0 50 FDAA Cn1cnc([C@@H]2CN(C(=O)Cc3ccoc3)C[C@H]2Nc2ncccn2)c1 952850085 YFJCTIANTICUEH-GOEBONIOSA-N 352.398 1.452 0 50 FDAA Cc1ccc(F)c2[nH]c(C(=O)N[C@H]3CCN(c4ccn(C)n4)C3=O)cc12 1875268587 AIIKZAUKPKHZSM-ZDUSSCGKSA-N 355.373 1.884 0 50 FDAA Cn1ccc(N2CC[C@@H](NC(=O)[C@@H](N)c3ccc(C(F)(F)F)cc3)C2)n1 1875315315 OZPLPYGLFSMWCO-HIFRSBDPSA-N 367.375 1.834 0 50 FDAA NS(=O)(=O)C[C@H]1CCCN(C(=O)[C@H](c2ccc(F)cc2)C2CC2)C1 1875300761 PLADKCODFANTOP-LRDDRELGSA-N 354.447 1.846 0 50 FDAA Cc1nccc(C(=O)N[C@@H]2[C@@H]3CCCCN(C(=O)C[C@H]4CCCO4)[C@@H]32)n1 1875345608 CYXSIPPHROQMIN-NONVJHHQSA-N 358.442 1.463 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCN(C(=O)c3cc(C)no3)C2)C1 1875371039 MONXMSDVIOGCJQ-LSDHHAIUSA-N 374.441 1.128 0 50 FDAA Cn1ccc(CCC(=O)NC2(CNC(=O)C[C@@H]3CC4(CC4)CO3)CC2)c1 1875408002 MGKUMIKRVIPBHS-MRXNPFEDSA-N 359.470 1.682 0 50 FDAA Cc1nc(C(=O)N2CCOCC23CCCC3)nc(N2CC[C@@H](N)C2)c1C 1875400773 LMVMJBLRKAARNR-OAHLLOKOSA-N 359.474 1.416 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1ccccc1-c1cncnc1 1875402866 MWFHKXGYJIPQSJ-NIKGAXFTSA-N 363.421 1.910 0 50 FDAA COCc1nc(OC)cc(N2CC[C@@H](C3CC3)[C@@H]2c2nnc(O)n2C)n1 1875400121 RERBWQXEGAZHGD-XHDPSFHLSA-N 360.418 1.443 0 50 FDAA Cn1nc(C(=O)N2CCOC[C@H]2c2ccc(F)cc2)c2nc[nH]c(=O)c21 1875403929 LUPQSYYAHNHNET-LBPRGKRZSA-N 357.345 1.009 0 50 FDAA C[C@H]1CCCN(C(=O)CN2CC[C@@H](Oc3ccnc(CN(C)C)c3)C2)C1 886096447 HTFHOMRNHUNLDJ-QFBILLFUSA-N 360.502 1.855 0 50 FDAA C[C@@H]1CCCN(C(=O)CN2CC[C@@H](Oc3ccnc(CN(C)C)c3)C2)C1 886096448 HTFHOMRNHUNLDJ-VQIMIIECSA-N 360.502 1.855 0 50 FDAA CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccccc2C)CCO1 886071680 VHLGKKNXAXUBFD-JQHSSLGASA-N 374.437 1.259 0 50 FDAA CN1C(=O)CC[C@H](CNCc2cccc3nccn23)[C@H]1c1cnn(C)c1 886082039 XQRRQJYUPFWREI-KUHUBIRLSA-N 352.442 1.767 0 50 FDAA O=C(CCc1ccccn1)N1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1 2100554944 IYUZEPFVWHFTTM-FPOVZHCZSA-N 372.440 1.968 0 50 FDAA C[C@@H](Cc1ccccc1O)NC(=O)C(=O)N[C@H]1CCN(c2ccccn2)C1 2325771882 YCRPYFXDEKILRY-HOCLYGCPSA-N 368.437 1.230 0 50 FDAA O=C(N[C@H]1c2ccccc2OC[C@H]1O)C1CCN([C@@H]2CCSC2)CC1 2325782907 MKZFYDWMJSRJCJ-KYJSFNMBSA-N 362.495 1.815 0 50 FDAA C[C@](Cn1cccn1)(NC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)O 2325851876 LQDQPYNXUNBUAT-SUMWQHHRSA-N 374.422 1.346 0 50 FDAA CN1CCC[C@@]2(CCCN2C(=O)CCc2nc3ccccc3[nH]c2=O)C1=O 2356135862 WTBIFZXOLLYAGI-HXUWFJFHSA-N 368.437 1.469 0 50 FDAA CO[C@H]1CC[C@H](NC(=O)c2ccc3c(c2)nc(N2CC[C@H](O)C2)n3C)CC1 2356139082 MOOJNAYRWVRKLM-JYJNAYRXSA-N 372.469 1.832 0 50 FDAA CCCOC(=O)N1C[C@H]2[C@H](CN3CCN(C(=O)c4ccco4)CC3)[C@H]2C1 102683334 IPVDBRTUDJIXHR-PHZGNYQRSA-N 361.442 1.762 0 50 FDAA Cc1nc2[nH]cc(C(=O)N3CCC[C@H]3c3nc(C(C)C)no3)c(=O)n2n1 102205917 YIUDUPAVZLYAEX-NSHDSACASA-N 357.374 1.210 0 50 FDAA O=C1NCCN(C(=O)CO[C@@H](c2ccccc2)C(F)(F)F)[C@@H]1CCO 20778626 TXHBYWJNRGDOQF-OCCSQVGLSA-N 360.332 1.016 0 50 FDAA CN1CCCC[C@H]1CCNC(=O)c1ccc(N2CC(n3cccn3)C2)nc1 67822095 LWLBYCDROPDZQZ-KRWDZBQOSA-N 368.485 1.944 0 50 FDAA CCNC(=O)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 22852385 GTBMHCLHVYRFNR-QGZVFWFLSA-N 374.485 1.727 0 50 FDAA Cc1nc([C@H](C)NC(=O)c2cc(COc3ccc4c(c3)OCO4)[nH]n2)n[nH]1 67843523 MZFPLAWIEXKWFO-VIFPVBQESA-N 370.369 1.635 0 50 FDAA Cc1ccccc1NC(=O)CNC[C@@]1(O)CCCN(CC(C)(C)C)C1=O 67786459 HDRCBAHKYJIPEZ-FQEVSTJZSA-N 361.486 1.923 0 50 FDAA O=S(=O)(NCCN1CCN(Cc2ccccc2)CC1)N1CCCCC1 26955745 SZRSTKSYKYNMPU-UHFFFAOYSA-N 366.531 1.125 0 50 FDAA O=C([C@H]1CCCCO1)N1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 67786753 XXUDWUNLLITFCK-QGZVFWFLSA-N 370.453 1.895 0 50 FDAA Cn1cccc1-c1cc(C(=O)N2CCC[C@@H](c3cc(=O)[nH]cn3)C2)[nH]n1 67805396 GAQDADAILQMRJR-GFCCVEGCSA-N 352.398 1.518 0 50 FDAA CN(C)C(=O)CCNC[C@]1(O)CCCN(CCC2CCCCC2)C1=O 67712554 LFWSOQLVHMBNJL-LJQANCHMSA-N 353.507 1.378 0 50 FDAA O=C1NCCN(CC(=O)N2CCCC2)[C@@H]1c1ccc(OC(F)(F)F)cc1 252498582 RFLOKXOMNPPMPY-OAHLLOKOSA-N 371.359 1.681 0 50 FDAA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1C[C@H](C)S(=O)(=O)[C@H](C)C1 329556095 BQBHSUITPYICRQ-XJFOESAGSA-N 355.460 1.015 0 50 FDAA COCc1nc(N2CCC(c3cc(=O)[nH]c(C)n3)CC2)c2cnn(C)c2n1 72172890 JAQVVNKMSPXDJM-UHFFFAOYSA-N 369.429 1.285 0 50 FDAA Cc1ccoc1C(=O)N1CCc2ncnc(N3CCC[C@@H](O)C3)c2CC1 72433676 GRPAMPSXMJVNMQ-CQSZACIVSA-N 356.426 1.580 0 50 FDAA CN(CCc1cccs1)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 329706481 LAQAIGGYNWKPSI-UHFFFAOYSA-N 356.513 1.953 0 50 FDAA CN(C)S(=O)(=O)N1CCN(Cc2ccc(OC3CCCC3)cc2)CC1 214987875 FSHCWMZUYFFEQJ-UHFFFAOYSA-N 367.515 1.932 0 50 FDAA CCc1nn(C)c(CC)c1S(=O)(=O)N(C)C[C@H]1CCc2nccn2C1 328614226 ABIKMEGIARNCNB-CYBMUJFWSA-N 365.503 1.625 0 50 FDAA CN1C(=O)C[C@@H](CNCc2ccc3c(c2)OCCO3)[C@@H]1c1cnn(C)c1 328645524 ZTIIZVNYKJPMNO-IFXJQAMLSA-N 356.426 1.501 0 50 FDAA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1nccn(C2CC2)c1=O 328641451 XWQDDXLKIAWLBW-WMLDXEAASA-N 356.474 1.831 0 50 FDAA Cc1ccc2[nH]c(CNC(=O)CC[C@]3(CCC(=O)O)CCC(=O)N3)nc2c1 218955668 XZROVIBZPXIJAS-LJQANCHMSA-N 372.425 1.781 0 50 FDAA CC(C)(NC(=O)c1cccs1)C(=O)N1CCC[C@]2(CC1)CNC(=O)O2 72158185 RKHADEUSWIPUPD-KRWDZBQOSA-N 365.455 1.748 0 50 FDAA O=C(NCc1cc(N2CCOCC2)ncn1)c1cccc(-n2cccn2)c1 72473800 ZUMUPCXTDKRYTI-UHFFFAOYSA-N 364.409 1.429 0 50 FDAA Cc1ccccc1CN1CCCN(C(=O)Cn2cc([C@H](C)O)nn2)CC1 366224755 YOZJOUNHVKMGPP-INIZCTEOSA-N 357.458 1.374 0 50 FDAA NC(=O)[C@H](Cc1ccccc1)n1ccnc1-c1cc2n(n1)CCCNC2 72448189 GIQPQMQFBBMFPR-KRWDZBQOSA-N 350.426 1.509 0 50 FDAA Cn1cc([C@H](NCCCN2C(=O)NC(C)(C)C2=O)c2ccccc2)cn1 378651117 NOHSZMMFZQZPGW-MRXNPFEDSA-N 355.442 1.820 0 50 FDAA COc1ccc2c(c1)OCCN(CCN1C(=O)NC3(CCCC3)C1=O)C2 374851054 OGUVGHTUTPPGID-UHFFFAOYSA-N 359.426 1.754 0 50 FDAA COc1c(C)cnc(Cn2cnc(NC(=O)[C@H]3C[C@@]34CCOC4)n2)c1C 333319945 PGOQNCOSWVYFCV-FZKQIMNGSA-N 357.414 1.712 0 50 FDAA Cc1ccc(C)c(N2N=C(C(=O)N3CCO[C@H](C(=O)O)C3)CCC2=O)c1 263060230 YELILZODTNMFCS-HNNXBMFYSA-N 359.382 1.098 0 50 FDAA Cc1nn(C)c2nc(-c3cccnc3)nc(NCCN3CCCC3=O)c12 72475896 DAPFJEALXDAPND-UHFFFAOYSA-N 351.414 1.768 0 50 FDAA Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(CCC(=O)O)CC2)c1C 237810062 SEWWKNTVJMFRES-UHFFFAOYSA-N 354.472 1.701 0 50 FDAA COc1ccc(OC)c(-c2nc(CN3CCC(O)(CO)CC3)c(C)o2)c1 71752812 NJHPNDAHADUPBS-UHFFFAOYSA-N 362.426 1.986 0 50 FDAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)c2cnn3ccc(C)nc23)c1 282619741 VTTJVKQAGRLNCY-WMLDXEAASA-N 352.394 1.994 0 50 FDAA C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1nncn1C 47316988 VRTINKBUJDUGGT-LBPRGKRZSA-N 363.443 1.091 0 50 FDAA O=C(Cn1c(=O)oc2ccccc21)N[C@H]1CC(=O)N(Cc2ccccc2)C1 223499408 QKKVFWSCBPOGLP-HNNXBMFYSA-N 365.389 1.512 0 50 FDAA O=C(O)c1ccc(CC(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)cc1 263331045 LZIKISIEVIJDKQ-MRXNPFEDSA-N 356.378 1.828 0 50 FDAA CN1CCN(C(=O)c2ccc3c(c2)OCO3)C[C@@H]1c1nc(C2CC2)no1 284992292 SWVPQDHOWVNKKA-CYBMUJFWSA-N 356.382 1.805 0 50 FDAA COCCn1cncc1CNC(=O)[C@H](C)n1cnc2ccccc2c1=O 426384027 YIFFJZGFJZQZOS-ZDUSSCGKSA-N 355.398 1.117 0 50 FDAA Cc1nc(CC2CCN(C(=O)NC[C@H]3CC(=O)N(C4CC4)C3)CC2)no1 426419732 IWUWFMMFLYWVGU-CQSZACIVSA-N 361.446 1.353 0 50 FDAA CCn1ncc(S(=O)(=O)N[C@@H]2COCC[C@@H]2OCC=C(C)C)c1C 220378633 CVZQZFRCMNJKRG-CABCVRRESA-N 357.476 1.630 0 50 FDAA COc1nc(C)cc(C)c1CNC(=O)[C@H](C)Sc1nc(C)cc(=O)[nH]1 220544650 KNLQQQQJUNLUPD-LBPRGKRZSA-N 362.455 1.896 0 50 FDAA Cn1ncnc1CCNC(=O)N1CCN(Cc2ccc(F)c(F)c2)CC1 426424410 WHKADSDQIZQUGX-UHFFFAOYSA-N 364.400 1.163 0 50 FDAA CN(C)C(=O)NCc1cc2n(n1)CCCN(Cc1cccc(CCN)c1)C2 82108858 SFFUEWADWPMOMM-UHFFFAOYSA-N 370.501 1.561 0 50 FDAA O=C(NCCN1CCCC[C@@H]1CO)N1CCC(Oc2cccnc2)CC1 426571631 PNTGOGLHELOBNY-MRXNPFEDSA-N 362.474 1.481 0 50 FDAA Cc1ccccc1CNC(=O)CN1CCC2(CCC(=O)N(CCO)C2)CC1 91616262 BQGJYEKSOLKOMC-UHFFFAOYSA-N 373.497 1.308 0 50 FDAA O=C(NC1CCCC1)N1C[C@H]2CN(Cc3ccncc3)C[C@@]2(C(=O)O)C1 91858913 IIOUKJIRTZNPRH-DNVCBOLYSA-N 358.442 1.552 0 50 FDAA CCc1nc(CN(C)C(=O)c2cnc(-c3ccc(C)cc3)[nH]c2=O)no1 91646087 JXOSOARJTNPNQA-UHFFFAOYSA-N 353.382 1.963 0 50 FDAA CC(=O)NCCCOc1ccc(CN2CCN(c3ncccn3)CC2)cc1 20601594 FUKFMOBPONAWET-UHFFFAOYSA-N 369.469 1.704 0 50 FDAA Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCCn2nc([C@H](C)O)cc2C1 230511480 RZQSQXKPEBPRAS-JTQLQIEISA-N 373.866 1.226 0 50 FDAA CSCCCN1C[C@H](C(C)C)[C@@H](NC(=O)CN2CCCCC2=O)C1 91943980 WRZGCTVKFCLAPD-CVEARBPZSA-N 355.548 1.825 0 50 FDAA O=C(NCc1ccccc1)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 91603644 GZBLBIZOKRYQSA-GOSISDBHSA-N 359.470 1.264 0 50 FDAA CC(C)[C@@H](O)C(=O)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 91965752 RERXXWNJPOWHCF-LJQANCHMSA-N 373.497 1.872 0 50 FDAA O=C(c1cnc(C2CC2)[nH]c1=O)N1CCC(OCc2cccnc2)CC1 91679789 ORTSLODGNDERNA-UHFFFAOYSA-N 354.410 1.864 0 50 FDAA Cc1nnc(N2C[C@H](CO)[C@H](CN3CCC(CO)CC3)C2)c2ccccc12 95368209 LDZFPGBTNPOOQX-QZTJIDSGSA-N 370.497 1.687 0 50 FDAA CN1CCc2n[nH]c(C(=O)N[C@@H]3CCCN(Cc4cccs4)C3)c2C1 97601069 IUMGWSJBSBWWIH-CYBMUJFWSA-N 359.499 1.854 0 50 FDAA CNC(=O)[C@@H]1CCCC[C@@H]1c1nc(CC(N)=O)nn1-c1ccc(C)c(C)c1 96162104 WIOIGSJXHAWQQW-JKSUJKDBSA-N 369.469 1.932 0 50 FDAA Cc1ccc2nc(C(=O)N3C[C@@H](C(=O)O)[C@H](c4cccnc4)C3)cn2c1 91635479 OXEFDNYCNUYHDH-LSDHHAIUSA-N 350.378 1.978 0 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CC(C)S(=O)(=O)N1CCCN(C(=O)COCc2ccccc2)CC1 1772810938 RDWYYXWKSHAQIJ-UHFFFAOYSA-N 354.472 1.476 0 50 FDAA Cc1ccccc1C(=O)N1CCc2nnc(CNC(=O)C3CC3)n2CC1 11995840 UVYALCDWEXWNNR-UHFFFAOYSA-N 353.426 1.311 0 50 FDAA COc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)c2ccn(C)n2)O3)nn1 12204240 IMWHMHGJIHFXMC-CQSZACIVSA-N 365.393 1.619 0 50 FDAA CCCS(=O)(=O)c1ncc(CN(CCO)C(C)C)n1C[C@H]1CCCO1 12316661 ZBETVIOSRNLFRH-MRXNPFEDSA-N 373.519 1.449 0 50 FDAA CSCCC(=O)N1CCC(N2CCC[C@@H](C(=O)NC3CC3)C2)CC1 12572192 IJOSLOPTYSOYOJ-CQSZACIVSA-N 353.532 1.721 0 50 FDAA CO[C@@H]1CN(C(=O)CCc2ccccn2)CC(=O)N(Cc2ccccc2)C1 14536193 HCLGUQZXBPSXDB-IBGZPJMESA-N 367.449 1.900 0 50 FDAA COC(=O)CCNC(=O)c1nn(CC2CC2)c2c1CN(CC1CC1)CC2 14748206 VYRPVMIGNHNKFT-UHFFFAOYSA-N 360.458 1.354 0 50 FDAA O[C@@H](COc1cccc(CNCCc2cccnc2)c1)CN1CCOCC1 15076447 DAIORUWANZIIES-HXUWFJFHSA-N 371.481 1.486 0 50 FDAA COC(=O)C1=CNC=C(C(=O)OC)C1c1cc(OC)c(OC)c(OC)c1 19799475 SQXBIMXUPKOHRS-UHFFFAOYSA-N 363.366 1.513 0 50 FDAA biogenic,in-vitro 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299738898 IEAWSFOKBZPCCN-QWHCGFSZSA-N 360.501 1.228 0 50 FDAA COc1ccc(CN2C[C@@H](C(=O)N3CCCC[C@H]3C(=O)O)CC2=O)cc1 299749825 LTYGDXKMDCAMNA-HOCLYGCPSA-N 360.410 1.509 0 50 FDAA CN1C(=O)COc2ccc(NC(=O)N3CCN(c4cnccn4)CC3)cc21 266403349 FJCRPINTYPEXHG-UHFFFAOYSA-N 368.397 1.186 0 50 FDAA O=C(NCCN1CCOCC1)c1cccc(-c2cnc3cccnn23)c1 534634188 BDYJSASEFCEIRA-UHFFFAOYSA-N 351.410 1.458 0 50 FDAA CCc1n[nH]c2c1CN(C(=O)CN1C[C@@H](c3ccccc3)CC1=O)CC2 32520350 FNOAINWXDBXNEB-HNNXBMFYSA-N 352.438 1.873 0 50 FDAA CC(=O)Nc1cc(NC(=O)NCCN2CCCC[C@@H]2CO)ccc1F 299786471 KRZVQTZNVBRZBP-CQSZACIVSA-N 352.410 1.752 0 50 FDAA CN(Cc1nc2c(s1)CCCC2)C(=O)[C@@H]1CSC(C)(C)C(=O)N1 299756229 KCCADNGVNRDMRG-NSHDSACASA-N 353.513 1.991 0 50 FDAA O=C(O)c1sccc1S(=O)(=O)NC[C@H]1CC(=O)N(C2CCCC2)C1 828248281 WHTFTYAJTZHYOJ-SNVBAGLBSA-N 372.468 1.516 0 50 FDAA Cc1cc(CC(=O)N2CCC3(CC2)CN([C@H]2CCSC2)CCO3)on1 827921395 SEEXOAQUQVFPMC-HNNXBMFYSA-N 365.499 1.724 0 50 FDAA COc1cc(OC)cc([C@H](O)CNC(=O)NC[C@@H]2CCCCCN2)c1 1335717969 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N=c1ccnc(N2CC[C@]3(CN(C(=O)/C=C/c4ccccc4)CCO3)C2)[nH]1 1857688077 RZNOXUPSEIDFGO-YJJPMGAVSA-N 365.437 1.410 0 50 FDAA CCOCCn1nc([C@@H]2CCCN(C)C2)nc1-c1cn2c(n1)CCNCC2 1857719067 DIOQAOXRLSPVAY-OAHLLOKOSA-N 373.505 1.133 0 50 FDAA CCc1[nH]nc(C(=O)N(C)C[C@H]2OCC[C@H]2c2n[nH]c(C)n2)c1Cl 952888832 OEKLPCYSHJICIB-MWLCHTKSSA-N 352.826 1.697 0 50 FDAA NC(=O)c1ccsc1NC(=O)COC(=O)c1nnc(O)c2ccccc12 952961793 FRLYOJUUCPYHEI-UHFFFAOYSA-N 372.362 1.291 0 50 FDAA Cc1cnn(CCCNC(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)c1 1875265515 YZZAKDGGNLBWIC-GFCCVEGCSA-N 361.368 1.434 0 50 FDAA CCc1ccc(C(=O)NCC2[C@H]3CN(C(=O)c4ccc(O)cn4)C[C@H]23)o1 1875332044 KTRQYBLYRBYLQE-HUUCEWRRSA-N 355.394 1.691 0 50 FDAA Cn1cc2c(n1)[C@@H](O)CC1(CCN(C(=O)c3conc3C3CC3)CC1)O2 1875394557 NAMTUFYNPCLHFF-ZDUSSCGKSA-N 358.398 1.776 0 50 FDAA Cc1nc(NC[C@]2(CO)COC[C@@H](C)N2C)cc(=O)n1-c1ccccc1 1875398219 HNBSKNCLOAYMED-KUHUBIRLSA-N 358.442 1.034 0 50 FDAA O=C(CCc1ccc(Cl)cc1Cl)N[C@@H]1CNC[C@@H]1n1ccnn1 886077561 JJPGUSTVXBGEIV-KGLIPLIRSA-N 354.241 1.847 0 50 FDAA CN(C)Cc1cc(O[C@H]2CCN(Cc3cc(C(N)=O)cs3)C2)ccn1 886068694 JDDUFLGPBWPUON-INIZCTEOSA-N 360.483 1.957 0 50 FDAA CC(=O)N1C[C@@H](NC(=O)c2ccc(N(C)C)nc2)CC[C@H]1C(F)(F)F 886088731 QRQBQZPUIQDKRV-STQMWFEESA-N 358.364 1.819 0 50 FDAA Cc1ncc(C(=O)N2CC[C@H](Oc3ccnc(CN(C)C)c3)C2)c(C)n1 886095102 LOABOSPQHRSEJA-KRWDZBQOSA-N 355.442 1.844 0 50 FDAA C[C@H]1CN(c2ccc(C(=O)Nc3ccc(CO)c(CO)c3)cn2)C[C@@H](C)O1 898814431 KAVRWUBDKUKDTB-OKILXGFUSA-N 371.437 1.932 0 50 FDAA O=C(Cn1cc(-c2ccccc2)nn1)Nc1ccc(N2CCNCC2)cc1 2325771972 HOQGEKLIRTXPGU-UHFFFAOYSA-N 362.437 1.993 0 50 FDAA CNc1cc(N2C[C@H](O)C[C@@H]2CNCc2ccc3c(c2)C[C@@H](C)O3)ncn1 2325785279 NLDUHILSMMQAIC-KBRIMQKVSA-N 369.469 1.571 0 50 FDAA O=C(CCn1ccccc1=O)N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O 2325785744 LUPOFDZQLHRNRP-NWANDNLSSA-N 364.833 1.044 0 50 FDAA Cc1[nH]c2ccccc2c(=NCCc2nnc3n2CCN(C)C3=O)c1C 2325790867 RJVZXUMFVOMOND-UHFFFAOYSA-N 350.426 1.605 0 50 FDAA Cc1ccn(-c2ccnc(C(=O)N3CCN(c4ccncc4)C[C@@H]3C)n2)n1 2325792975 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O=C(CN1CC[C@H](O)[C@](CC2CC2)(C(=O)O)C1)NCCc1ccccc1 2356168810 OKCZUAGWJHSFCV-FXAWDEMLSA-N 360.454 1.283 0 50 FDAA N=c1[nH]cc(C(=O)N2CCC[C@]23CCCN(Cc2ccccn2)C3=O)s1 2356170301 AUGXTRBYLWHPPM-SFHVURJKSA-N 371.466 1.748 0 50 FDAA CC(C)[C@@H](NC(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)C(N)=O 135166923 SOBBYCXAKZHDNT-HQSKLWIPSA-N 358.486 1.991 0 50 FDAA O=C(NCCSc1cn[nH]n1)[C@@H]1CCCN1C(=O)C1CCCCC1 55182791 WNIMWMQGCPHPLT-ZDUSSCGKSA-N 351.476 1.584 0 50 FDAA CN1C[C@]2(CCCN(C(=O)CC3=CSC4=NCCCN34)CC2)OC1=O 102836242 DXUGCHXTQKHWOI-QGZVFWFLSA-N 364.471 1.860 0 50 FDAA CCn1nc(C(=O)O)c2c1CC[C@H](NCc1ccc(-n3cncn3)cc1)C2 67974618 MBLFDIXYBUFNIZ-AWEZNQCLSA-N 366.425 1.829 0 50 FDAA CC(C)O[C@H]1CN(c2nc(-c3ccccc3)nc3c2CCNC3)C[C@@H]1O 67560018 SIZGCCYMWIIGMG-ROUUACIJSA-N 354.454 1.764 0 50 FDAA CCOC(=O)c1[nH]c(=O)[nH]c1CN(CCOC)Cc1ccccc1F 63856547 MWESITPHFSSKAL-UHFFFAOYSA-N 351.378 1.667 0 50 FDAA O=C(NC1CC1)c1cc2n(n1)CCN(C(=O)c1cccc3cccnc13)C2 65409592 OTYBTHLTICSESB-UHFFFAOYSA-N 361.405 1.980 0 50 FDAA Cc1ccc(O)c(CN2CCN(c3cc(N4CCCC4)nc(N)n3)CC2)n1 67540055 BRSCOBQWWRGZEL-UHFFFAOYSA-N 369.473 1.390 0 50 FDAA CCN1Cc2ccccc2C[C@H]1C(=O)N1CCC(n2cc(CO)nn2)CC1 23380035 OIOBPLGJIAUVJL-IBGZPJMESA-N 369.469 1.381 0 50 FDAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Cn1nnc2ccccc2c1=O 134228775 FXYFCGDPNXIJTC-HNNXBMFYSA-N 352.398 1.495 0 50 FDAA Cc1cc2nc(C(=O)N3CCCN(C)C4(CCN(C)CC4)C3)cc(C)n2n1 67560481 GVTGKPAVPYOLFU-UHFFFAOYSA-N 370.501 1.588 0 50 FDAA CC(C)c1nc(CNC(=O)c2ccc(NCCN3CCOCC3)nc2)no1 67789105 ZRAIYAIAWQBTMS-UHFFFAOYSA-N 374.445 1.262 0 50 FDAA C[C@@H]1CCCCN1CCN(C)C(=O)c1cc(CN2CCOCC2)on1 67954728 SKJHXXDYDROCHH-OAHLLOKOSA-N 350.463 1.453 0 50 FDAA CN1CCN(C(=O)N2CCC3(CC2)CC(=O)N(Cc2ccccc2)C3)CC1 77421769 SYCCNGIKUAMBOJ-UHFFFAOYSA-N 370.497 1.869 0 50 FDAA Cc1ccc(N2CCc3nc(C)nc(N4CCC[C@H](O)C4)c3CC2)nn1 72473885 DFIAHDWRDUWPJR-HNNXBMFYSA-N 354.458 1.450 0 50 FDAA O=C(c1cncc(F)c1)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1 328643216 YQLHQIXPWIEAAW-INIZCTEOSA-N 357.389 1.825 0 50 FDAA O=C(O)c1ccc([C@H]2CCN(C(=O)CC3CCS(=O)(=O)CC3)C2)cc1 72165891 GJANUXYLBDAVAO-INIZCTEOSA-N 365.451 1.916 0 50 FDAA O=C(NC[C@]1(O)CCCN(C(=O)c2cccs2)CC1)N1CCOCC1 72172564 TUZICZZGKIXAPA-KRWDZBQOSA-N 367.471 1.147 0 50 FDAA C[Si](C)(C)c1ccc(CC(=O)NS(=O)(=O)Cc2ccon2)cc1 253426069 XSKQEIFNBQWFMF-UHFFFAOYSA-N 352.488 1.409 0 50 FDAA COc1ccccc1-c1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(C)C3=O)[nH]n1 72407793 KYICKKPDQRZLCW-QWHCGFSZSA-N 354.410 1.778 0 50 FDAA Cc1ccccc1OC[C@H](O)C(=O)N1CCN(C2CCCCC2)C(=O)C1 216960941 UQQFCEBYRBDZPQ-KRWDZBQOSA-N 360.454 1.738 0 50 FDAA COc1cccc(CCNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)c1 366413118 BLOZMDVKTMQFGI-CRAIPNDOSA-N 356.426 1.307 0 50 FDAA COCCn1cc(S(=O)(=O)N2C[C@H](OC)Cc3ccccc32)cn1 367160565 PQTYKIYUNZMBPS-CQSZACIVSA-N 351.428 1.296 0 50 FDAA Cc1nn(C)c2ncc(CN3CCC[C@H](C(=O)N4CCOCC4)C3)cc12 261376582 ADUWWTJFNKNGCT-INIZCTEOSA-N 357.458 1.348 0 50 FDAA O=C(CNC[C@@H]1CCCO1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 238103566 VDRLRFVFRSFFDV-HKUYNNGSSA-N 350.434 1.866 0 50 FDAA C[C@@H]1CN(CC(=O)Nc2ccc(N3CCCCC3)nc2)CC[S@@]1=O 332017403 FBHUXKHTXFPRNS-SHACYNPGSA-N 350.488 1.463 0 50 FDAA CCC[C@H](C)N1CC2(CCN(C(=O)Cn3nc(C)cc3N)CC2)OC1=O 72477993 FOZRATVZWSSZIW-AWEZNQCLSA-N 363.462 1.776 0 50 FDAA CCCO[C@H]1CCCN(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1 332741651 GMVBYQLPIHGNHP-GJZGRUSLSA-N 361.508 1.259 0 50 FDAA CCc1cc(N2CCN(C(=O)c3cc(C(C)C)nc(N)n3)CC2)ncn1 219661999 AIWFAXZIPKQRKT-UHFFFAOYSA-N 355.446 1.497 0 50 FDAA Cc1nnc([C@@H]2COCCN2Cc2cccc(S(=O)(=O)N(C)C)c2)o1 444729903 GVXTXORQPFDNTM-HNNXBMFYSA-N 366.443 1.202 0 50 FDAA C[C@@H](C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)c1cccs1 173051912 NHBCGJCQHSCIHW-GFCCVEGCSA-N 369.468 1.514 0 50 FDAA O=C(CN1CCC[C@H]1c1ncc[nH]1)NC(=O)Nc1ccc2c(c1)OCO2 378434736 LULJFJBBDFKBBD-LBPRGKRZSA-N 357.370 1.624 0 50 FDAA C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 222322138 KOSWIMVJIVWSQI-KNPMLCFXSA-N 364.195 1.645 0 50 FDAA Cn1cncc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cc(F)cc(Cl)c1 284733949 CUQCXJBSGCNFOK-IUODEOHRSA-N 350.781 1.962 0 50 FDAA CCNc1nc(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cs1 177005486 FCRIPHOBZZKRIL-LBPRGKRZSA-N 352.460 1.286 0 50 FDAA COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1cn(C)nc1C 17075703 NOUUJWNTNFTSHZ-UHFFFAOYSA-N 369.399 1.333 0 50 FDAA CCCN1C[C@@H](NC(=O)c2cccc(-c3cc(O)nc(N)n3)c2)CC1=O 426509383 NAKOAYNSNWGHAX-ZDUSSCGKSA-N 355.398 1.172 0 50 FDAA Cc1cc(=O)n(CC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)nc1C 220395534 VHOKUYBVMIDRRY-AWEZNQCLSA-N 352.398 1.318 0 50 FDAA Cc1cc(C)n(CC(=O)N(C)C[C@H]2Cc3ccccc3CN2C)c(=O)n1 82091534 IRMQUAWIFHADAQ-GOSISDBHSA-N 354.454 1.375 0 50 FDAA O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]12CCN(CCOCCO)C2 426628121 DNUQGTLQBHJGMY-IBGZPJMESA-N 368.424 1.788 0 50 FDAA O=C(O)c1ccc(O[C@@H]2COCC[C@H]2NC(=O)c2ccc(CO)cc2)cc1 222851683 GMJZYZATMKFOST-QZTJIDSGSA-N 371.389 1.843 0 50 FDAA O=C(c1scc2c1OCCO2)N1CCCC[C@H]1CN1CCOCC1 82170891 JNNBPKQHSWALLQ-ZDUSSCGKSA-N 352.456 1.846 0 50 FDAA CC(C)Cc1noc(CN(C)C(=O)N[C@@H](C(=O)O)c2ccc(O)cc2)n1 426727478 MAPDLMDMJMJSKF-OAHLLOKOSA-N 362.386 1.941 0 50 FDAA OC1CN(c2nc(NCCCOc3ccccc3)cc([C@H]3CCOC3)n2)C1 426438905 QCENNUNYWKSHOZ-HNNXBMFYSA-N 370.453 2.042 0 50 FDAA Cc1nc(-c2ccccc2)ncc1C(=O)N1CC[C@H](CS(N)(=O)=O)C1 426439128 ZLJPFZPVKSMYTB-ZDUSSCGKSA-N 360.439 1.203 0 50 FDAA CCOC(=O)N1CCN(C(=O)c2coc(CN3CCOCC3)c2)CC1 97475586 KDSUJXWVIVAKLX-UHFFFAOYSA-N 351.403 1.026 0 50 FDAA COCCN1C[C@@H]2CN(C(=O)c3ccc(Cl)c(F)c3)C[C@]2(C(=O)O)C1 96150720 DXXFAEAQMJMPFN-SJKOYZFVSA-N 370.808 1.584 0 50 FDAA Cc1nc2ncc(C(=O)N3CCC[C@@H]3c3cc(C(C)C)on3)c(=O)n2[nH]1 426640584 WVVCPKYAJAPIAM-CYBMUJFWSA-N 356.386 1.815 0 50 FDAA Cc1ccn2c(C(=O)N3CCCN(S(C)(=O)=O)CC3)c(C)nc2c1 97732929 VRYXTCVOZHPEIC-UHFFFAOYSA-N 350.444 1.059 0 50 FDAA Cn1ncc(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1-n1cccc1 230276591 OPHPVBDJVJKXIS-CABCVRRESA-N 363.421 1.632 0 50 FDAA biogenic O=C(NCc1ccco1)C1CCN(C(=O)c2cnc(C3CC3)[nH]c2=O)CC1 92065816 SPIQVGQXUSHWGU-UHFFFAOYSA-N 370.409 1.409 0 50 FDAA COc1ccc2c(c1)[C@@H](C(=O)NCCc1nc(C)cc(C)n1)CC(=O)N2 91794263 CUDCUZLHSGMUNW-HNNXBMFYSA-N 354.410 1.887 0 50 FDAA C[C@H]1CN(CC2CCN(C(=O)c3csc(CN)n3)CC2)C[C@H](C)O1 237604827 KPBHRNDDNJTGRE-STQMWFEESA-N 352.504 1.563 0 50 FDAA CC(=O)N1CCC(N2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)CC1 91595549 HWUPFZUKMSRKDI-INIZCTEOSA-N 371.489 1.250 0 50 FDAA CN(C)C(=O)N1CCC[C@H](C(=O)NCCc2noc(C3CCCC3)n2)C1 95364482 BEUICSUKOGSIFZ-AWEZNQCLSA-N 363.462 1.780 0 50 FDAA Cn1c(Cn2cccn2)nnc1[C@H]1CCCN(C(=O)c2ccnc(N)c2)C1 95372680 KUTUYDANVFVTTQ-AWEZNQCLSA-N 366.429 1.057 0 50 FDAA CNC(=O)c1cccc([C@H](C(=O)O)N2CCN(C(=O)c3ccco3)CC2)c1 95371253 CVACYXPZWIJMDK-MRXNPFEDSA-N 371.393 1.223 0 50 FDAA COc1ccc([C@@H]2[C@H](C(=O)Nc3nc(C)n(C)n3)CCC(=O)N2C)cc1 293598172 CQVZZGNJJTYMFA-GDBMZVCRSA-N 357.414 1.680 0 50 FDAA Cn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2c[nH]nc2C2CCCCC2)C1 244858460 VLNJSSMAAJJOCU-BETUJISGSA-N 358.446 1.754 0 50 FDAA CCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2cccc3c2OCCO3)C1 244719139 LXVHCVOHEFAEGR-TXEJJXNPSA-N 358.398 1.238 0 50 FDAA N[C@H]1CC[C@@H](n2cc(C(=O)NCc3noc(C4CCCC4)n3)nn2)CC1 244884101 YFHRYNIWZQMDCF-BETUJISGSA-N 359.434 1.691 0 50 FDAA Cc1nn(CC(=O)N(C)Cc2ccno2)c(=O)n1CCc1ccccc1 77338520 YFUCOIQYXKMOKD-UHFFFAOYSA-N 355.398 1.243 0 50 FDAA CCc1cc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(C)o2)on1 299792285 DWNOTKODRWDNSC-KRWDZBQOSA-N 374.441 1.488 0 50 FDAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1ccon1)C2 299802970 SXVNPXIPDNLRNM-MDZRGWNJSA-N 363.458 1.654 0 50 FDAA O=C(NCc1ccccc1Cn1cccn1)[C@H]1CCCCn2nnnc21 299782317 FZGYZHSMQRHJKN-INIZCTEOSA-N 351.414 1.502 0 50 FDAA Cc1nc(C)c(CNC(=O)C2CCN([C@H]3CCS(=O)(=O)C3)CC2)s1 299783268 ZQOGVNDVTUFJHQ-AWEZNQCLSA-N 371.528 1.275 0 50 FDAA CC(=O)c1c(C)nn(CC(=O)N2CCC([C@H](O)c3nccn3C)CC2)c1C 827908329 GNDJMBXNSXBKIZ-SFHVURJKSA-N 373.457 1.408 0 50 FDAA COCCN1CC[C@@H](CNS(=O)(=O)c2cc(OC)c(C)cc2C)C1 670443504 JSADMVQEDPYLGH-HNNXBMFYSA-N 356.488 1.559 0 50 FDAA COc1ccc(-n2nc(Cc3cccnc3)nc2CCNC(C)=O)cc1 670439696 PQIBTCPRYWLMTL-UHFFFAOYSA-N 351.410 1.940 0 50 FDAA O=C(NCC1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@@H]1CCOC1 952979026 GOGPYKFXUVXGSK-CQSZACIVSA-N 370.446 1.379 0 50 FDAA COc1ccc2[nH]cc(CCNC(=O)[C@H]3CCCN(CC(N)=O)C3)c2c1 952962430 DNKZZEMLJFLANV-AWEZNQCLSA-N 358.442 1.033 0 50 FDAA Cc1cc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(N)=O)c(Cl)cc1F 408031532 NQTNDTYXFGYARD-PELKAZGASA-N 350.799 1.051 0 50 FDAA COc1ccc2c(c1)C[C@@H](N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1)CC2 275574854 OSEUSMALUCGZFR-HQRMLTQVSA-N 354.454 1.896 0 50 FDAA O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)c1cnn2c1CCCC2 278352902 OSVHNQGQRFWODU-UHFFFAOYSA-N 366.429 1.644 0 50 FDAA CC(=O)NC1CN(C(=O)NCCc2cc(Br)ccc2F)C1 189955790 DZPLQSMMEHIKPR-UHFFFAOYSA-N 358.211 1.661 0 50 FDAA O=C(Cc1n[nH]c2c1CCCC2)Nc1ccc(-n2cc(CO)nn2)cc1 190671716 CWPIZWRMPGCSBH-UHFFFAOYSA-N 352.398 1.543 0 50 FDAA O=C(c1cncc(N2CCN(C(=O)c3cccs3)CC2)n1)N1CCCC1 1529195339 JZRHCFPOHRJJRS-UHFFFAOYSA-N 371.466 1.737 0 50 FDAA Cc1cc(C(=O)N2CCCN(C(=O)c3ccncc3O)CC2)nc(C)n1 1529168074 WTAOIDIYJJDRLB-UHFFFAOYSA-N 355.398 1.182 0 50 FDAA CCCN1C(=O)CC[C@@H]2CN(C(=O)c3ccc4c(c3)nnn4C)CC[C@@H]21 215554526 DOXIWHDSMHOYJX-ZBFHGGJFSA-N 355.442 1.831 0 50 FDAA CC(C)Cc1cc(C(=O)N2C[C@H](O)[C@H](Cc3ccncc3)C2)nc(N)n1 1704297456 SMWAOPKVBWLLCZ-PBHICJAKSA-N 355.442 1.328 0 50 FDAA COc1cccc2c1C1(CCN(S(=O)(=O)N3CCCC3)CC1)OCC2 1704326566 HGLHAUVIRBCWLZ-UHFFFAOYSA-N 366.483 1.900 0 50 FDAA COCC1=NC2=NC(=O)[C@H](CC(=O)Nc3cccc(Cl)c3C)CN2N1 1848442488 ZIVYKEMMLKCDBE-SNVBAGLBSA-N 363.805 1.355 0 50 FDAA CC(=O)Oc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 1180859 JLBGPDGZVPVAPG-UHFFFAOYSA-N 362.407 1.232 0 50 FDAA Cc1noc(C)c1-c1nc2c(s1)CC[C@H](C(=O)NCCc1cnn[nH]1)C2 1772811840 YNNABAVGYZYAPO-NSHDSACASA-N 372.454 1.997 0 50 FDAA CS(=O)(=O)N1CC[C@]2(CCCN(CCCc3ccccc3)C2=O)C1 12597047 DQQPIBFGFJAPCT-GOSISDBHSA-N 350.484 1.893 0 50 FDAA CC1=C(C(=O)OCc2ccccc2)[C@@]2(O)C(=O)c3ccccc3[C@@]2(O)N1 19314654 LKDGRJVHRHMMDN-UXHICEINSA-N 351.358 1.380 0 50 FDAA Cc1ccn(-c2ccc(NCCNS(=O)(=O)c3ccccc3)nn2)n1 19924090 SWYLBBNEIPBQTL-UHFFFAOYSA-N 358.427 1.361 0 50 FDAA O=C(O)COc1ccccc1/C=c1\sc2nc3ccccc3n2c1=O 952925 AFJLTELTHZJQLB-DHDCSXOGSA-N 352.371 1.920 0 50 FDAA CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)C(=O)OCC)cc1 2819342 IQLAIAVKDNOVLI-UHFFFAOYSA-N 356.444 1.999 0 50 FDAA CCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3)CC2)cc1 4750545 HWYCEKZBTOIHGD-UHFFFAOYSA-N 359.451 1.791 0 50 FDAA Cn1ccnc1[C@@H](O)C1CCN(C(=O)NCCOc2ccccc2)CC1 155978959 NABSGEBRWFGJCQ-KRWDZBQOSA-N 358.442 1.954 0 50 FDAA O=C(CN1CCc2ccccc21)N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 223019624 FTRVKKFABXKSNO-WDSOQIARSA-N 351.450 1.943 0 50 FDAA COc1cc(Cl)cc(C(=O)N2CC[C@@H](O)[C@@]3(CCCNC3=O)C2)c1 1857689042 CLMGSHXLNWEHGX-RHSMWYFYSA-N 352.818 1.452 0 50 FDAA O=S1(=O)CC[C@@H](CCS(=O)(=O)NCCn2ccc3ccccc32)C1 1857693574 CLFUGNOZTYVBAR-AWEZNQCLSA-N 370.496 1.386 0 50 FDAA CCOc1ccc2[nH]c(=O)c(-c3nccn3C[C@H]3CNCCO3)cc2c1 1857695027 QIPKWFFLSHWWCA-OAHLLOKOSA-N 354.410 1.779 0 50 FDAA O=C(NCCn1nc(-c2ccccc2)ccc1=O)[C@@H]1CCn2nccc2C1 1857697419 ACRSTWOSWAAVFM-MRXNPFEDSA-N 363.421 1.486 0 50 FDAA O=C(N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1)[C@@H](O)Cc1ccccc1 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FDAA Nc1ccnc(N2CCC(N3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 71638970 XNDTZGYMTCBUQG-OAHLLOKOSA-N 358.490 1.362 0 50 FDAA COc1ccc(CC(=O)N2CCn3nc([C@@H](O)C4CC4)cc3C2)cc1OC 219872048 YNJYYYZPLQPAOP-FQEVSTJZSA-N 371.437 1.929 0 50 FDAA Cc1nc(CN(C)[C@@H]2CCN(Cc3ncnn3-c3ccccc3)C2)no1 374157060 GRTFPUJMCRGHOU-MRXNPFEDSA-N 353.430 1.665 0 50 FDAA CCc1ccc2nc(C)cc(C(=O)NCc3nc(N)nc(N(C)C)n3)c2c1 77394108 XCHPREWLEVYDHQ-UHFFFAOYSA-N 365.441 1.869 0 50 FDAA CCCOCCN1CCN(c2nc(C)nc3c2CCN(C(C)=O)C3)CC1 71763284 SZVODWVMYHNTAP-UHFFFAOYSA-N 361.490 1.238 0 50 FDAA O=C(CN1C(=O)CNC1=O)N1CCC(Oc2ccc(Cl)cc2)CC1 72411344 DQPGRTMGQBNOGO-UHFFFAOYSA-N 351.790 1.262 0 50 FDAA COCCN1CC[C@H](CNc2nc(-c3cccnc3)nc3c2CCNC3)C1 71757238 RLIAJKNEYRIMSD-OAHLLOKOSA-N 368.485 1.565 0 50 FDAA O=C1CN(C(=O)CCCC(=O)Nc2nc3c(s2)CCCC3)CCN1 40286510 LXJCRTITYDINML-UHFFFAOYSA-N 350.444 1.089 0 50 FDAA Cc1cccc2ncc(C(=O)N[C@@H]3COCC[C@@H]3OCC3CC3)c(=O)n12 223028251 PXPWGWDQQZOXQU-CVEARBPZSA-N 357.410 1.317 0 50 FDAA COCc1nc([C@@H]2CCOC2)cc(N2CCN(Cc3nccn3C)CC2)n1 426399318 AVIQHLIKTRCOFL-OAHLLOKOSA-N 372.473 1.183 0 50 FDAA O=C(c1ccc(-c2ncccn2)cc1)N1C[C@H](O)[C@@H](N2CCCCC2)C1 426489396 SCZAMWBVLLUADP-ROUUACIJSA-N 352.438 1.815 0 50 FDAA O=C1CN(c2cc([C@@H]3CCOC3)ncn2)CCN1CCc1ccccc1 426510365 PPZZHBOWUOVROF-QGZVFWFLSA-N 352.438 1.872 0 50 FDAA COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N2CCSCC2)n1 44920422 DFVMVDUZVRJPCC-UHFFFAOYSA-N 363.414 1.633 0 50 FDAA Cc1cc(C(=O)N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)cnn1 287264070 KEAZFHZWMNTEBM-FQEVSTJZSA-N 365.481 1.817 0 50 FDAA Nc1nnc(SCC(=O)NCc2csc(-c3cnccn3)n2)s1 223418658 ZLVYCZBPJWLJIZ-UHFFFAOYSA-N 365.469 1.442 0 50 FDAA CCc1csc(CNC(=O)N2CCC3(CC2)CN(C)C(=O)CO3)n1 426634071 VUEJUDBVESAGIK-UHFFFAOYSA-N 352.460 1.238 0 50 FDAA CCc1nc2ccccc2n1CCC(=O)N1CC[C@@H](CS(N)(=O)=O)C1 426380662 QHDBXCHNUFQECW-CYBMUJFWSA-N 364.471 1.126 0 50 FDAA Cc1nc(CCNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)sc1C 91621419 ZTIPMPAJFZXMRZ-AWEZNQCLSA-N 358.467 1.862 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2ccccn2)CN1Cc1ccsc1 91548767 RVGFAOQNASBFBR-IRXDYDNUSA-N 372.494 1.581 0 50 FDAA CC(C)CCN1C[C@@]2(CCCN(C(=O)CN3CCOCC3)C2)CCC1=O 91665885 YUGYGJQIVWSPDX-FQEVSTJZSA-N 365.518 1.596 0 50 FDAA O=C(Nc1cnn(Cc2ccccc2)c1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 177685179 YEQOJFIZMXLTTN-AWEZNQCLSA-N 350.382 1.646 0 50 FDAA O=C(O)c1cccc([C@@H]2CCCN(C(=O)c3nc4ncccn4n3)C2)c1 95352106 CJUQTFPKLKLRMO-CQSZACIVSA-N 351.366 1.842 0 50 FDAA COc1ccc2cc(C(=O)N[C@@H](C)c3n[nH]c(CC(=O)O)n3)n(C)c2c1 426389684 MWKXYFKXXPECBH-VIFPVBQESA-N 357.370 1.423 0 50 FDAA CCc1cc(N2CCC(N3CCNC(=O)C3)CC2)nc(N2CCCC2)n1 95500435 QMMFKPFCRYRYLF-UHFFFAOYSA-N 358.490 1.040 0 50 FDAA Cc1cccc(N2CCN(C(=O)[C@H]3[C@H](C(=O)O)[C@H]4C=C[C@H]3O4)CC2)c1C 239310217 IGDJUVKHKVQMQL-BRSBDYLESA-N 356.422 1.606 0 50 FDAA O=C(c1nnc2n1CCCC2)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 91845492 ISYHQVNRAFDVQR-IBGZPJMESA-N 357.458 1.479 0 50 FDAA O=C1CC[C@]2(CCCN(C(=O)CN3CCCC3)C2)CN1CCc1c[nH]cn1 91679136 SKUOGYQEIYRJBT-FQEVSTJZSA-N 373.501 1.279 0 50 FDAA CCn1c(Cn2ccnc2C)nnc1C1CCN(CCC(=O)NC)CC1 91859823 QKEWUGUPECMTSS-UHFFFAOYSA-N 359.478 1.167 0 50 FDAA COc1cccc([C@@H]2CN(C(=O)c3cnn(C)c3)C[C@H]2C(=O)O)c1OC 91829670 UWCMVMBEMONWPL-UONOGXRCSA-N 359.382 1.378 0 50 FDAA C[C@H](Cn1cncn1)NC(=O)c1cnc(COc2ccc(F)cc2)nc1O 91656882 XGSXPCZRQLTNSL-LLVKDONJSA-N 372.360 1.310 0 50 FDAA O=C(CN1CCOCC1)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1 92097035 WYWOCICHQDGFCK-FQEVSTJZSA-N 363.502 1.492 0 50 FDAA COc1ccccc1OCC(=O)NC[C@H]1CCCN(Cc2cncnc2)C1 95529931 NCOCBKFWWFGSGH-MRXNPFEDSA-N 370.453 1.892 0 50 FDAA COc1cccc(C(=O)N2CCC(C(=O)N3CCc4[nH]cnc4C3)CC2)c1 95353273 YRVPBRRDWGBHKW-UHFFFAOYSA-N 368.437 1.855 0 50 FDAA O=C(c1ccccn1)N1CC[C@@H](Nc2noc(-c3ccccc3)n2)[C@H](O)C1 244700946 JWYAXUOPKWUMIJ-GDBMZVCRSA-N 365.393 1.819 0 50 FDAA Cn1cc([C@H](NC(=O)c2ccc(CN3CCCC3)o2)[C@H]2C[C@H](O)C2)cn1 244734816 NMKBPYLILUGKGM-DDUZABMNSA-N 358.442 1.851 0 50 FDAA Cc1noc([C@@H]2CCN(C(=O)CCc3c(C)nc4ncnn4c3C)C2)n1 244724045 MMLNQCGVWWZMKA-CYBMUJFWSA-N 355.402 1.381 0 50 FDAA N[C@H]1CC[C@@H](n2cc(C(=O)NCc3cc(-c4ccco4)on3)nn2)CC1 252675346 TVAGOOGWPSGRQK-BJHJDKERSA-N 356.386 1.899 0 50 FDAA CN(C)c1nc(O)cc([C@H]2C[C@@H](NC(=O)c3ccc4c(c3)OCO4)C2)n1 253534994 BNIVAGFJPPGGBS-TXEJJXNPSA-N 356.382 1.653 0 50 FDAA Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@H]1Cn1cc(C2CC2)nn1 299742405 HSFIISVERYEBRU-HNNXBMFYSA-N 358.446 1.576 0 50 FDAA Cc1c(C(=O)N2C[C@H]3[C@H](N)CC[C@H]3C2)nnn1-c1ccc2ncccc2c1 184989128 WICGGGCPGFHIQX-USXIJHARSA-N 362.437 1.933 0 50 FDAA Cc1cc(-c2cn3cc(C(=O)N4CC[C@H](CN)C4)nc3c(=O)n2C)c(C)o1 72454434 WMHRUMWSJWHVAU-CYBMUJFWSA-N 369.425 1.331 0 50 FDAA OCCNc1nc(NCc2cnc3c(c2)CCC3)cc([C@H]2CCOC2)n1 299783960 KQXZUFUWDHRJCF-HNNXBMFYSA-N 355.442 1.881 0 50 FDAA Cc1cccc(-n2nc(CC(N)=O)nc2CCCN2CCOCC2)c1C 826842139 LBVJLBYEILEFCX-UHFFFAOYSA-N 357.458 1.177 0 50 FDAA O=C(NC[C@H](c1cccnc1)N1CCCCC1)N1CCS(=O)(=O)CC1 584903360 MRQXLBNKFCKYII-MRXNPFEDSA-N 366.487 1.049 0 50 FDAA COc1ccc(C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)cn1 670443805 VCAASQGDPTXRIL-NLKGSNSHSA-N 354.414 1.555 0 50 FDAA O=C(c1cnc(-c2ccccn2)nc1)N1CCN(CC(F)(F)F)CC1 929592593 VRXFLOQKLPPWIV-UHFFFAOYSA-N 351.332 1.859 0 50 FDAA CC(C)Nc1ncc(CN2C[C@@H](CC(=O)O)[C@@H](c3cn(C)nn3)C2)cn1 1565507924 FDEHQSWOSGSXPC-KGLIPLIRSA-N 359.434 1.116 0 50 FDAA COc1ccc(CCC(=O)N[C@H]2CCN(Cc3cccnc3)C[C@@H]2O)cc1 1565515636 JKKAFFRRRJWPPI-PMACEKPBSA-N 369.465 1.774 0 50 FDAA O=C(N[C@H]1CCOC[C@@H]1Oc1ccccn1)c1cc2c(nc1O)CCC2 1565510641 JHOXRTNEHRXXNH-HOTGVXAUSA-N 355.394 1.637 0 50 FDAA CNc1cc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(C(=O)O)cc2)ccn1 1565516495 WSVZFKYIBAZSKZ-HOTGVXAUSA-N 371.393 1.788 0 50 FDAA C[C@]1(C(=O)O)CCN(C(=O)CCCOc2ccc(S(C)(=O)=O)cc2)C1 268943983 GEIAKVAHPYRPIP-KRWDZBQOSA-N 369.439 1.572 0 50 FDAA C[C@@H](C[C@@H](O)c1cccs1)NC(=O)c1ccnc2c(C(N)=O)cnn12 271043933 RMTNKKVRRSMTJP-JOYOIKCWSA-N 359.411 1.132 0 50 FDAA CNC(=O)c1ccn([C@@H]2CCCN(c3nnnn3-c3ccccc3)C2)n1 278725092 KLNJIXIDVSYMRR-CQSZACIVSA-N 352.402 1.060 0 50 FDAA CS(=O)(=O)N1CCC(C(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)CC1 279218908 NFOFHXPIJSTMKK-UHFFFAOYSA-N 367.406 1.221 0 50 FDAA CCC[C@]1(C)C(=O)NCCN1C(=O)c1cc(N2C[C@@H](C)O[C@H](C)C2)ccn1 192620366 NVHFQPVNDOAAGN-STXHMFSFSA-N 374.485 1.826 0 50 FDAA C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2nnn(C)n2)CC1 193465077 AWNGQADGJIWCCV-ZDUSSCGKSA-N 354.418 1.139 0 50 FDAA O=C(N[C@H]1CCCN(c2ncccn2)C1)[C@@H]1CCCN(CC(F)(F)F)C1 194172366 LFGYJZXVUKXUOE-KGLIPLIRSA-N 371.407 1.836 0 50 FDAA CN(C)c1noc([C@@H]2CCCN(C(=O)Cc3n[nH]c4ccccc34)C2)n1 194456929 BDFXZCIBJHSXTH-GFCCVEGCSA-N 354.414 1.961 0 50 FDAA Cc1cc(C)n(C[C@H](C)NC2CCN(C3CCS(=O)(=O)CC3)CC2)n1 1506413060 GQAGZPJCVUDCLE-HNNXBMFYSA-N 368.547 1.520 0 50 FDAA CCCN1C(=O)CC[C@@H]2CN(C(=O)C3CCS(=O)(=O)CC3)CC[C@@H]21 216861367 LUHIKMMYQSWCRD-CABCVRRESA-N 356.488 1.061 0 50 FDAA CCC[C@H]1COC[C@H]2CN(C(=O)c3ccccc3-n3cncn3)CCN12 1529174940 YYFWPQNLZVVXLV-JKSUJKDBSA-N 355.442 1.593 0 50 FDAA CN1CCCC[C@H]1C(=O)N1CCCN(Cc2ccccc2C(=O)O)CC1 1529090431 IPVIDNDCEMELEJ-SFHVURJKSA-N 359.470 1.903 0 50 FDAA CSCC(=O)N1CCCN(C(=O)c2c(C)cc(C)n(C)c2=O)CC1 1772702529 CLWPFMSKQQGRED-UHFFFAOYSA-N 351.472 1.040 0 50 FDAA CCOc1ccc(NC(=O)N2CCCN(C(=O)[C@H]3CCC(=O)N3)CC2)cc1 1775977113 GYCQCXQZRKHBSL-MRXNPFEDSA-N 374.441 1.430 0 50 FDAA CCCCc1ccc(S(=O)(=O)N2CC[C@@]3(CNC(=O)CO3)C2)cc1 1772813631 LABUQQSUWMQAOB-QGZVFWFLSA-N 352.456 1.309 0 50 FDAA O=C(c1cc(COc2ccc3c(c2)OCO3)[nH]n1)N1CCC[C@H](CO)C1 11819496 NMLUSJFKXGLRRC-LBPRGKRZSA-N 359.382 1.562 0 50 FDAA COc1ccc(CN2C(=O)O[C@@H]3CN(c4cnccn4)C[C@@H]32)cc1OC 12302801 YATHGSPZSOKVEM-XJKSGUPXSA-N 356.382 1.703 0 50 FDAA Cn1c(SCC(=O)Nc2cc(F)ccc2F)nc2c(=O)[nH]cnc21 12427844 ICEVCPZBQFHSJX-UHFFFAOYSA-N 351.338 1.666 0 50 FDAA COC(=O)CCCNC(=O)[C@H]1CCC(=O)N(Cc2ccccc2OC)C1 15074217 OPKFRGYCPSJVGB-HNNXBMFYSA-N 362.426 1.503 0 50 FDAA CCN1CCN(C2(C(=O)NCCCC(=O)OC)Cc3ccccc3C2)CC1 19795043 RDWVSCSBPNUBTM-UHFFFAOYSA-N 373.497 1.231 0 50 FDAA O=C1[C@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1cccc(Br)c1 169616576 FNUWEPYQFFFCTK-YXMPFFBPSA-N 350.168 1.254 0 50 FDAA Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NCc3ccco3)=C2)cc1 6800260 KXXFGNZOMCQRBI-UHFFFAOYSA-N 359.407 1.768 0 50 FDAA NC(=O)C1CCN(C(=O)[C@H]2[C@H]3CC[C@@]2(c2ccnn2C2CCC2)C3)CC1 1857529499 CIZHAIFHZVIICA-NQYLQCIDSA-N 356.470 2.000 0 50 FDAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1cncc(N)n1)C2 1857676073 JJSFLCFDEOYCAK-MDZRGWNJSA-N 361.490 1.403 0 50 FDAA CC(=O)N1CCC(N2CCC[C@]3(CCc4c(O)nc(N(C)C)nc43)C2)CC1 1857686719 DHYOJPDORJSOIM-FQEVSTJZSA-N 373.501 1.539 0 50 FDAA COc1ccc(C)cc1C(=O)NC[C@H]1[C@H]2CN(CC(=O)O)C[C@]23CC[C@H]1O3 1857721540 URCHPBFEXJAQQR-DKYLXPRQSA-N 374.437 1.297 0 50 FDAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccc(Cn3cnnn3)cc1)C2 219840037 QHRVFKWATNBKRK-SJORKVTESA-N 368.441 1.194 0 50 FDAA C[C@H](C1CC1)N(C(=O)CN1CCC2(CCC2)S(=O)(=O)CC1)C1CC1 334035514 NFDFWZZTPVVAHB-CQSZACIVSA-N 354.516 1.819 0 50 FDAA CC(=O)N1C[C@@H]2CC[C@H](C1)CN2S(=O)(=O)c1ccc(F)c(F)c1F 247899089 AHBOGRTZBXGDCG-MNOVXSKESA-N 362.373 1.735 0 50 FDAA 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359.405 1.073 0 50 FDAA CCn1nc(CN2CCC[C@](O)(Cc3nncn3C)C2)c2ccccc21 886088304 GKCJBMYCLVALPS-IBGZPJMESA-N 354.458 1.754 0 50 FDAA O=C(O)[C@H]1CC[C@@H](C(=O)N2CCc3c(CN4CCCC4)cccc32)CN1 888101129 HLVNOSUZUPWUNS-RHSMWYFYSA-N 357.454 1.624 0 50 FDAA COc1ccccc1N1CCC[C@H](NC(=O)NC[C@H]2CCNC[C@H]2C)C1=O 2325766248 ITRHRWQPKRBHRR-OAGGEKHMSA-N 374.485 1.735 0 50 FDAA NC(=O)CCNC(=O)Nc1cccc(NC(=O)c2c[nH]c3cccnc23)c1 2325863099 VSXYLMSXJKWUKO-UHFFFAOYSA-N 366.381 1.812 0 50 FDAA Cn1c(SCC(=O)N2CCOCC2)nc2sc3c(c2c1=O)CCC3 3373709 DSJRMCFDCGKWCM-UHFFFAOYSA-N 365.480 1.435 0 50 FDAA CCCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nnc(CC)s2)C1 6743192 HBGGLYLDNINZGX-LLVKDONJSA-N 360.505 1.881 0 50 FDAA CO[C@]1(CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)CCOC1 221837293 OTLRXNGAHJEHDA-KYJSFNMBSA-N 366.845 1.781 0 50 FDAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CCC(N)=O)C2)CC1 55328053 DNYZMVIRHHQANN-MRXNPFEDSA-N 374.485 1.074 0 50 FDAA COCc1cc(=O)[nH]c(-c2cccc(CN3CCNC(=O)[C@H]3C(C)C)c2)n1 23431891 BXJIKBMDRSRACP-GOSISDBHSA-N 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CNCCN(C)c1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1 67872591 LYEIEVUARQPCDH-UHFFFAOYSA-N 373.501 1.212 0 50 FDAA CCCn1nc(C(=O)O)c2c1CC[C@H](N1Cc3nc(C)n(C)c(=O)c3C1)C2 67968020 CJDWZCWDMWVFJM-LBPRGKRZSA-N 371.441 1.267 0 50 FDAA CN(CCN1CCOCC1)c1nc2nonc2nc1NCc1ccccc1 20541000 MYFSPFPAXQZWSP-UHFFFAOYSA-N 369.429 1.393 0 50 FDAA COCc1nc2n(n1)C[C@@H](NC(=O)Cc1ccccc1OC(F)F)CC2 135104591 KDJGLPQZEKIUGA-LBPRGKRZSA-N 366.368 1.700 0 50 FDAA Cc1ccc(NC(=O)CNC(=O)c2cn(C[C@@H]3CCCNC3)nn2)c(F)c1 67514610 DILGDRMNMXUSIP-CYBMUJFWSA-N 374.420 1.094 0 50 FDAA NCC(=O)N1CCC[C@@H]1c1ccc(C(=O)NCc2cc(C3CC3)[nH]n2)s1 20774183 JXBYQRYCCJBSRX-CQSZACIVSA-N 373.482 1.901 0 50 FDAA COCCOC(=O)N1CCC(c2nn(C)c(=O)n2-c2ccccc2)CC1 67755583 NPYPMUKBZHKLKW-UHFFFAOYSA-N 360.414 1.533 0 50 FDAA Cn1c(=O)c2c(n3ncnc13)NC(=O)C[C@H]2c1cccc(Br)c1 4742267 OEGFYKSHWMMUPU-JTQLQIEISA-N 374.198 1.665 0 50 FDAA O=C([C@@H]1CCCCO1)N1CCc2ncnc(NCc3ccon3)c2CC1 72477189 HHWUGWYPKGODMY-INIZCTEOSA-N 357.414 1.573 0 50 FDAA COc1cc(C(=O)O)ccc1S(=O)(=O)N1CCO[C@H]2CCCC[C@@H]21 325874895 KYNYYCDIFJLBLQ-STQMWFEESA-N 355.412 1.726 0 50 FDAA Nc1nc2c(c(C(=O)NC[C@@H]3CCCN(c4ccccn4)C3)n1)CCCC2 219256086 SCLPXVPOZBETAB-AWEZNQCLSA-N 366.469 1.979 0 50 FDAA Cn1ncc2c(NCCN3CCCC[C@H]3CO)nc(-c3cccnc3)nc21 72167446 RHTTYPWZTPTUAR-HNNXBMFYSA-N 367.457 1.684 0 50 FDAA Cc1cc(C(F)(F)F)nc(CCNC(=O)Cc2c(C)[nH]c(C)nc2=O)n1 216219099 AZODQPADLXIIIR-UHFFFAOYSA-N 369.347 1.405 0 50 FDAA Cc1cc(C(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)nc(C)n1 328629528 OXJUXCOYLXXJHZ-MAUKXSAKSA-N 356.474 1.982 0 50 FDAA O=C(NC[C@]1(O)CCOC1)N[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 363847463 NGSKHQUFELAEBI-JRBPQWBISA-N 359.470 1.348 0 50 FDAA CCC(=O)N1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2)CC1 363959723 GQTKYBVVJRISOH-QGZVFWFLSA-N 357.454 1.762 0 50 FDAA Cc1nc(CN2CCN(C(=O)[C@@H]3CCCc4nn(C)cc43)CC2)oc1C 374230790 NWUUXGWHFOQUIG-OAHLLOKOSA-N 357.458 1.789 0 50 FDAA Nc1nc(CCC(=O)N2CCCN(C3Cc4ccccc4C3)CC2)n[nH]1 72434224 PFKWTMMPOUCJGG-UHFFFAOYSA-N 354.458 1.021 0 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Cc1cc(CNC(=O)c2ccc(CN3CCS(=O)(=O)CC3)cc2)no1 223941275 ZQWBYKRHMPQYQN-UHFFFAOYSA-N 363.439 1.143 0 50 FDAA COCCc1noc([C@@H]2CCCCN2C(=O)c2cc(Cl)c[nH]c2=O)n1 223293580 JFBAUQFOFKXEJM-LBPRGKRZSA-N 366.805 1.968 0 50 FDAA O=C(C[C@H]1C(=O)NCCN1CCc1ccccc1)NCCc1cscn1 20210087 SKLVCPLRYOSDJI-KRWDZBQOSA-N 372.494 1.235 0 50 FDAA COc1ccc([C@H](NC(=O)c2n[nH]c3c2COCC3)[C@H]2C[C@H](O)C2)cn1 220634482 HOMSOFKWGBTCCO-OZVIIMIRSA-N 358.398 1.128 0 50 FDAA CCc1nnc(CN(CC)C(=O)C2CCN(C3CCOCC3)CC2)o1 426479104 ZSQQTCYOCKTBIM-UHFFFAOYSA-N 350.463 1.872 0 50 FDAA Cc1ncncc1C(=O)N1CCC(c2nnc(Cn3ccnc3)n2C)CC1 91908254 XHMUVWLNGKKOLR-UHFFFAOYSA-N 366.429 1.178 0 50 FDAA NS(=O)(=O)c1ccc(-c2ccc(CN3CCCNCC3)cc2)s1 96136955 IUKUMGGPBXHUQG-UHFFFAOYSA-N 351.497 1.858 0 50 FDAA O=C(c1ccc2c(c1)CCC2)N1C[C@@H](CO)C[C@H](CN2CCOCC2)C1 91643329 FZGKJYUIHAPPBT-SJORKVTESA-N 358.482 1.578 0 50 FDAA CC(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 239174375 PXSNVBYMSGMFIC-JLZSVDHQSA-N 364.401 1.881 0 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COCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(SCCO)cc1)C2 95377114 XRSXEUMAZUCRBS-NVXWUHKLSA-N 364.511 1.954 0 50 FDAA O=C(CCNC(=O)c1cnc(CN2CCCC2)s1)Nc1nccs1 97324097 DCFPJSBCPUABLZ-UHFFFAOYSA-N 365.484 1.954 0 50 FDAA Cc1cc(N2CCC(NCc3n[nH]c(N)n3)CC2)nc(N2CCCCC2)n1 95507957 DJYVZLRVUCQIJD-UHFFFAOYSA-N 371.493 1.234 0 50 FDAA COCCCN1CC[C@@H](CNC(=O)c2cnc(C(C)(C)C)[nH]c2=O)C1 91445141 BJPOTMISLLPJHL-ZDUSSCGKSA-N 350.463 1.156 0 50 FDAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)Cc2ccc(C)cc2)C1 244716093 LIHPXDVGXWWSLA-IYBDPMFKSA-N 358.442 1.330 0 50 FDAA Cn1c(=O)c(CN2CCN(c3ccc4nccn4n3)CC2)cc2ccccc21 244884380 YLIXHYXKHZWLPC-UHFFFAOYSA-N 374.448 1.903 0 50 FDAA C[C@H](NC(=O)CCN1CCC2(CC1)C(=O)NCCCN2C)c1ccccc1 244734760 NLKPETWJGQBEJR-KRWDZBQOSA-N 372.513 1.540 0 50 FDAA Cn1c(=O)c(CN2CCN(CC3CC3)[C@@H](CCO)C2)cc2ccccc21 252483284 DYLORSDCTRKWPZ-IBGZPJMESA-N 355.482 1.817 0 50 FDAA O=S(=O)(N[C@H]1CC[C@@H](CO)CC1)c1ccc(OCC(F)(F)F)nc1 183173082 KKPGBHAXIBURSK-XYPYZODXSA-N 368.377 1.852 0 50 FDAA C[C@H](NC(=O)N1CCC(N2CCN(CCO)CC2)CC1)c1ccccc1 534666899 TWWVWWNJQDIYMX-KRWDZBQOSA-N 360.502 1.532 0 50 FDAA COCC1=NC(=O)C2(CCN(C(=O)NCCc3ccccc3F)CC2)N1 63884859 CWJSKFHJHZKNOK-UHFFFAOYSA-N 362.405 1.087 0 50 FDAA Cc1nnnn1CCC(=O)NC[C@H](c1ccc(F)cc1)N1CCCCC1 299799518 GYTIXURPXVUALT-QGZVFWFLSA-N 360.437 1.854 0 50 FDAA O=C(CCn1cccn1)N1CCC2(CC1)CN([C@H]1CCSC1)CCO2 827921038 GBAVLKZNBYXFEV-INIZCTEOSA-N 364.515 1.472 0 50 FDAA COc1cc(C)c(-c2ccc(C(=O)N3CCNC(=O)[C@@H]3CCO)cc2)cn1 584899227 OCNXDHJJWXXGTG-KRWDZBQOSA-N 369.421 1.389 0 50 FDAA O=C(N[C@H]1CCCN(c2cnccn2)C1)c1cc2c(nc1O)CCCC2 584887624 DRSYRWFTXYYYMD-AWEZNQCLSA-N 353.426 1.855 0 50 FDAA CCN(Cc1noc(C2CC2)n1)C(=O)NCCCN1C[C@H](C)O[C@H](C)C1 670437742 RCJYMDJUJCDPDW-OKILXGFUSA-N 365.478 1.978 0 50 FDAA CS(=O)(=O)NCCNC(=O)C[C@H](Cc1ccccc1)c1ccco1 952991402 OWVYQGZEZNVFPR-HNNXBMFYSA-N 350.440 1.661 0 50 FDAA CCCC[C@H]1C(=O)N(C)CCN1S(=O)(=O)c1ccc2nc[nH]c2c1 952872154 HXGLWWRSSBOGBZ-HNNXBMFYSA-N 350.444 1.584 0 50 FDAA Cn1nnc2ccc(C(=O)NC[C@@H]3CC(=O)N(Cc4ccccc4)C3)cc21 185206086 UOZMRYLDEQTACO-HNNXBMFYSA-N 363.421 1.747 0 50 FDAA NC(=O)c1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)o1 277467234 YTHHBVJMIZDDCE-HNNXBMFYSA-N 357.410 1.399 0 50 FDAA C[C@H]1CCCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cnc2c(cnn2C)c1 170600485 BVHNWPXOEPJWJD-NWDGAFQWSA-N 365.459 1.036 0 50 FDAA CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCc1ccccc1CO 170611212 NAWKXFPLAJVIBQ-GJZGRUSLSA-N 350.415 1.165 0 50 FDAA C[C@@H](NCc1ccccc1CN1CCOCC1)C1CCS(=O)(=O)CC1 186944679 OORNAGDGSOLOHR-MRXNPFEDSA-N 366.527 1.822 0 50 FDAA CCOc1ccc(CN2CC[C@H](N3CCN(C)CC3)[C@@H](O)C2)cc1Cl 1614377309 BJMATEPSNOTUPZ-ROUUACIJSA-N 367.921 1.921 0 50 FDAA CN1CCC(n2nccc2NC(=O)c2cnc3ccccn3c2=O)CC1 1506399678 PSZGKQYXWLJXSB-UHFFFAOYSA-N 352.398 1.410 0 50 FDAA CN(CC(=O)Nc1nc2c(F)cccc2s1)[C@H]1CCS(=O)(=O)C1 1506398680 WKIAVSHOLFDJNF-VIFPVBQESA-N 357.432 1.493 0 50 FDAA Cc1cc(C)n(CCCC(=O)N2C[C@@H]3CC[C@H]2CN(S(C)(=O)=O)C3)n1 213009784 CLMNUFPQHSKDIJ-CVEARBPZSA-N 368.503 1.163 0 50 FDAA O=C(CCCn1cncn1)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12 1529141957 AYSCOGMUWCHXMI-VQIMIIECSA-N 365.437 1.980 0 50 FDAA COc1cc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)cc(OC)c1OC 647184 WRNSQWXGSHGREH-AWEZNQCLSA-N 353.400 1.713 0 50 FDAA Cc1cc(=O)cc(C(=O)N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)o1 1704339888 OAFQPGPOCOXVLN-HXUWFJFHSA-N 368.437 1.924 0 50 FDAA O=C1CN(C(=O)c2c(N3CCOCC3)noc2-c2ccccc2)CCCN1 1704314415 ZDNDLMQJSBQTPW-UHFFFAOYSA-N 370.409 1.140 0 50 FDAA Cc1nc(C(=O)N2CCCN(CC[C@@H]3CCS(=O)(=O)C3)CC2)cs1 1772810788 LTFUBQZBWFUVKV-CQSZACIVSA-N 371.528 1.424 0 50 FDAA COc1ccc(-c2ccc(C(=O)N3C[C@@H]4CNC[C@@]4(CO)C3)c(O)n2)cc1 1772706112 QMGXLUTWBYUPGO-XOBRGWDASA-N 369.421 1.117 0 50 FDAA CN1N=C(C(=O)N2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)CCC1=O 12305483 DZNIHZHEGDRBPN-AWEZNQCLSA-N 372.425 1.469 0 50 FDAA Nc1cc(=O)nc(SCC(=O)Nc2nnc(-c3ccccc3)s2)[nH]1 12731858 NAOSSRDNYJRGKF-UHFFFAOYSA-N 360.424 1.601 0 50 FDAA Cn1c(CN2CCOCC2)nnc1SCc1nnc(-c2ccccc2)o1 13944996 WPOVVJRBUBCUAU-UHFFFAOYSA-N 372.454 1.990 0 50 FDAA COCCN1C(=O)N(CC(C)C)C(=O)C12CCN(C1CCOCC1)CC2 14752688 AVQRBHVAPUYSSD-UHFFFAOYSA-N 367.490 1.567 0 50 FDAA Cc1cccc(CN2CCC[C@](O)(CN3CCC4(CC3)OCCO4)C2=O)c1 15078245 WCYRYMIOGIEWAM-FQEVSTJZSA-N 374.481 1.687 0 50 FDAA Cc1cc(OCC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)ccc1Cl 16603494 GXLXBDIFAUZQEE-MRXNPFEDSA-N 366.845 1.877 0 50 FDAA Cc1noc(-c2cn([C@H]3CCN(C(=O)COc4ccccc4)C3)nn2)n1 169777927 WJSHSWWWLVXHBW-ZDUSSCGKSA-N 354.370 1.489 0 50 FDAA O=C1N[C@H](CC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)C(=O)Nc2ccccc21 206238472 SDMWCRRCKPGDGU-AUJRIZCKSA-N 371.437 1.281 0 50 FDAA O=C([C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 6700142 CSDVBINGGRXHNV-SFHVURJKSA-N 374.462 1.852 0 50 FDAA O=C(c1ccc(N2CCC(C3CCNCC3)CC2)nc1)N1CCOCC1 1857674886 BROIGJAQZAHSBK-UHFFFAOYSA-N 358.486 1.770 0 50 FDAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1ccc(-c2nnn(C)n2)cc1 1857681590 GSHCKLKBJQPFLT-PMUMKWKESA-N 355.398 1.735 0 50 FDAA COC(=O)[C@@H]1CCN(C(=O)C2CCN(c3nc4nc(C)ccc4o3)CC2)C1 1857695824 ZJTMXHFJXWAZER-CQSZACIVSA-N 372.425 1.769 0 50 FDAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc(Cn4ccnc4)o3)C[C@@H]2O)n[nH]1 1857736970 SJXALTCRPGOSJV-CJNGLKHVSA-N 355.398 1.232 0 50 FDAA COc1cccc(-c2cc(CNC(=O)[C@H]3CCc4ncnn4C3)on2)c1 1875249464 USWXCKHXIMVZCW-ZDUSSCGKSA-N 353.382 1.821 0 50 FDAA COCCNc1nc2cc(C(=O)N3C[C@@H]4CC[C@H]3CN(C)C4)ccc2n1C 213322627 NIMQUIRUMWZVMO-ZBFHGGJFSA-N 371.485 1.798 0 50 FDAA NC[C@H]1CCCN1C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O 238042710 MHHJYSPHSDXISC-KGLIPLIRSA-N 366.259 1.752 0 50 FDAA O=C(Cc1n[nH]c2c1CCCC2)N[C@@H]1CCN(Cc2ccccc2)C1=O 777181807 OZBJYLPTWDZIIQ-QGZVFWFLSA-N 352.438 1.748 0 50 FDAA COc1cc(C(=O)O)ccc1S(=O)(=O)N(C[C@@H]1CCOC1)C1CC1 392368464 FJXNNKBMJRCNKI-NSHDSACASA-N 355.412 1.583 0 50 FDAA CCN1C[C@@H](C(=O)Nc2ccc(N3N=C(C4CC4)CC3=O)nc2)CC1=O 912867825 LSNTZRUWHIAHFY-LBPRGKRZSA-N 355.398 1.391 0 50 FDAA O=C(NCCNC(=O)c1cccnc1SC(F)F)c1cccnc1 915290147 QQRYHYRJNOCDRP-UHFFFAOYSA-N 352.366 1.951 0 50 FDAA O[C@@]1(Cc2nc(C3CC3)no2)CCCN(CCn2cc(Cl)cn2)C1 818251318 GPXNVRDDKJGLES-MRXNPFEDSA-N 351.838 1.867 0 50 FDAA O=C(CCc1ccc2ccccc2c1O)N[C@@H]1C(=O)NCC12CCOCC2 923936683 VZJXOJQYWHVLOL-LJQANCHMSA-N 368.433 1.889 0 50 FDAA O[C@@H]1CN(Cc2cccnc2)C[C@H]1Oc1cnn(Cc2ccccc2)c1 859387717 FOCDEQHBRVNFCS-WOJBJXKFSA-N 350.422 1.951 0 50 FDAA FC(F)(F)[C@]1(c2nc(C3CC3)no2)CCN(c2nccn3nnnc23)C1 952895159 RSFTXBDGKNDLMT-CYBMUJFWSA-N 366.307 1.490 0 50 FDAA N=[S@@]1(=O)CCC[C@@]2(CCCN2C(=O)c2cnc(C3CC3)nc2O)C1 1875289136 ULWPLLWDOUNSQA-UPCLLVRISA-N 350.444 1.875 0 50 FDAA O=C(Nc1cccc(-n2nnnc2O)c1)[C@@H]1CCCN1Cc1ccccc1 1875298292 WAJMNNNEUUWQRQ-KRWDZBQOSA-N 364.409 1.971 0 50 FDAA C=CC(=O)N1CCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3C(=O)O2)[C@@H](C)C1 1875381341 RHJXASITUMEWRM-NHYWBVRUSA-N 362.813 1.667 0 50 FDAA Cc1c(C(=O)N2CCC[C@@]23CCC[S@](=N)(=O)C3)nn2c1OCCC2 1875395711 JNORZNBBRPSZTH-FYSMJZIKSA-N 352.460 1.789 0 50 FDAA C[C@@H]1[C@H](C(F)(F)F)OCCN1C(=O)C1CCN(c2cc(O)ncn2)CC1 1875309552 BWDBKEPIERRPOE-QMTHXVAHSA-N 374.363 1.577 0 50 FDAA CCc1occ(C)c1C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@H]2C1 1875406699 KHCAFYONPQEHCA-XHSDSOJGSA-N 359.470 1.775 0 50 FDAA Cc1nn(C2CCOCC2)cc1CN[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O 1875400106 QWQXBIMURUWFSD-ATZDWAIDSA-N 359.474 1.669 0 50 FDAA O=C(N[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C12CCC2)c1[nH]nnc1C1CC1 1875406335 BIYFAUWGTVHDRS-QWHCGFSZSA-N 359.430 1.115 0 50 FDAA CCn1nnc(C)c1CN[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1nccn1C 886085265 BWBXPAAJNNGLST-RHSMWYFYSA-N 357.462 1.324 0 50 FDAA CCN1C(=O)C[C@@H](CNc2cc(C)nc3ncnn23)[C@@H]1c1nccn1C 888079198 KHFBRBLYPDIBSD-SWLSCSKDSA-N 354.418 1.188 0 50 FDAA Cc1cc(CNC(=O)CC2CC(=O)NC(=O)C2)ccc1Br 2325780231 RCYLBTXCTFOCDR-UHFFFAOYSA-N 353.216 1.817 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1cccc(-n2cccn2)c1 2325785672 IJISECQSRNKKFC-ZTFGCOKTSA-N 351.410 1.638 0 50 FDAA O=C(NC1CCNCC1)c1ccc(CNS(=O)(=O)c2ccccc2)cc1 2325786455 MFCRISUQDCACCO-UHFFFAOYSA-N 373.478 1.647 0 50 FDAA COC(=O)[C@@H]1COC[C@H](OC(=O)CN2C(=O)CCCc3ccccc32)C1 2325790900 UUJCIISSIOVVLX-LSDHHAIUSA-N 361.394 1.477 0 50 FDAA O=C(NCc1ccn2cnnc2c1)N1CCN(CCc2cccs2)CC1 2325811438 ZUOIXTYMEHXJFE-UHFFFAOYSA-N 370.482 1.861 0 50 FDAA Cc1ncoc1C(=O)N1C[C@H](NC(=O)c2cc3c([nH]2)CCOC3)CC[C@H]1C 2325865457 CUFWOORETMZBJD-BXUZGUMPSA-N 372.425 1.807 0 50 FDAA CC[C@@](C)(NC(=O)CC(F)(F)C(F)F)c1cn([C@@H](C)C(=O)O)nn1 2332239291 DHFRNMIQUUXUOZ-JVXZTZIISA-N 354.304 1.956 0 50 FDAA COc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC 1144854 XEUYMNFKZQPGCN-UHFFFAOYSA-N 372.424 1.152 0 50 FDAA COCCN1CCC[C@]2(CCCN2C(=O)c2c3c(nn2C)CCCC3)C1=O 2356149244 QFSDXUINXNOSKH-FQEVSTJZSA-N 374.485 1.543 0 50 FDAA O=C(O)c1cc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)ccc1N1CCOCC1 4954479 JTTODWCUHPAYRC-ZIAGYGMSSA-N 356.378 1.677 0 50 FDAA COc1ccccc1-n1cc(-c2ccnc(NCCNC(C)=O)n2)cn1 55326165 FZGHTOANPKQZHZ-UHFFFAOYSA-N 352.398 1.886 0 50 FDAA Cc1nnnn1-c1ccc(Cc2nc(CC3CCN(C)CC3)no2)cc1 67604547 CGQKNVDOYFUCTL-UHFFFAOYSA-N 353.430 1.829 0 50 FDAA CCn1nc(C(C)C)cc1C(=O)NC[C@@H]1CCCN(S(C)(=O)=O)C1 67805688 UWJGXWDHVQOYOF-ZDUSSCGKSA-N 356.492 1.428 0 50 FDAA CCCc1nc(C(=O)N2CCC[C@H](Cn3cc(C(=O)O)nn3)C2)cs1 65431402 MBKLVQGBBKPLEP-NSHDSACASA-N 363.443 1.938 0 50 FDAA COCCN1CCC(CN2CCC[C@@]3(CCN(C(=O)N(C)C)C3)C2)CC1 67513535 PASXTEGEAKGYGX-HXUWFJFHSA-N 366.550 1.814 0 50 FDAA CO[C@@H]1C[C@@H](c2nc[nH]n2)N(S(=O)(=O)c2ccc3ncccc3c2)C1 328917181 KNZKBPZKTZGRPI-DOMZBBRYSA-N 359.411 1.504 0 50 FDAA Cn1ncc(Br)c1C(=O)N1N=C(C(F)F)C[C@]1(O)C(F)F 1015964 WQPFSRNZZFYBOF-JTQLQIEISA-N 373.104 1.603 0 50 FDAA O=C(COc1nsnc1N1CCOCC1)Nc1ccc(F)cc1F 1425511 WOQPBEPKAJMHFV-UHFFFAOYSA-N 356.354 1.670 0 50 FDAA CCOC(=O)N1CCN(C(=O)[C@@H](C)n2ncc(Br)c2C)CC1 2802833 MJRXYIKPHFMWQS-LLVKDONJSA-N 373.251 1.816 0 50 FDAA O=C(Cc1ccc(Cl)cc1)N1CCC(N2CCN(CCO)CC2)CC1 219690774 MTJWKOAEKUQABF-UHFFFAOYSA-N 365.905 1.483 0 50 FDAA Cc1nonc1OCCNC(=O)c1cn(Cc2ccccc2Cl)nn1 72158467 CWGBTLRBQZJHNI-UHFFFAOYSA-N 362.777 1.480 0 50 FDAA CCc1cc(NCCCN2CCC[C@@H](C(N)=O)C2)n2nc(C)c(C)c2n1 72412060 REWSNYQXGKUGQZ-OAHLLOKOSA-N 358.490 1.908 0 50 FDAA CC1=NN(C(=O)Cn2nc(C)c(Br)c2C)[C@@](O)(C(F)F)C1 6526244 QBKWIOUBRCPDMM-LBPRGKRZSA-N 365.178 1.824 0 50 FDAA O=c1cc(N2CCOCC2)cnn1[C@H]1CCCN(Cc2cccnc2)C1 328605638 OIKWDHQKADELEC-KRWDZBQOSA-N 355.442 1.312 0 50 FDAA Cn1c(CN2CCCC2)nnc1[C@H]1CCCN(C(=O)c2cccnc2)C1 72421102 SFSPGUQXBCRVLU-INIZCTEOSA-N 354.458 1.826 0 50 FDAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC(Cn2cccn2)CC1 126106781 ZMQPADKXJHHMML-UHFFFAOYSA-N 367.457 1.809 0 50 FDAA O=C(CCc1cc2n(n1)CCNC2)NC[C@H](O)c1cc2ccccc2s1 72453832 IPJYQMNRQLGVGP-INIZCTEOSA-N 370.478 1.983 0 50 FDAA CC1=CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccncn3)c2)CC1 215184013 HXUUKZKZKQCJDV-UHFFFAOYSA-N 372.450 1.747 0 50 FDAA O=C(O)C[C@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)CCO1 262455454 SXISNLBMTZNIAG-CVEARBPZSA-N 360.410 1.241 0 50 FDAA Nc1nnc(CNC(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)o1 367587500 JLLBGSDNHJQQBD-VIFPVBQESA-N 370.335 1.598 0 50 FDAA CC(C)(O)c1cn(C2CN(C(=O)c3cccc([C@H]4CCOC4)c3)C2)nn1 374822043 DMMKSRZQTSJLLO-HNNXBMFYSA-N 356.426 1.707 0 50 FDAA Cc1ccc2[nH]c(CCCNC(=O)[C@H]3CC4(CCNCC4)CN3)nc2c1C 72165570 BEPZBSSRHJTEIL-QGZVFWFLSA-N 369.513 1.960 0 50 FDAA CN(CC(=O)N1CCN(C2CC2)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 333090461 ZJVIZLZLWJPWEZ-OAHLLOKOSA-N 363.483 1.121 0 50 FDAA Cc1[nH]cnc1CN1CC[C@@H]2[C@@H](CCC(=O)N2CCCn2ccnc2)C1 77536305 DDZDIFDBXJJDIZ-FUHWJXTLSA-N 356.474 1.818 0 50 FDAA CCn1c(=O)c(=O)[nH]c2cc(C(=O)N(C)c3ccc(OC)nc3)ccc21 127853987 YRQDTQFIGWVSCI-UHFFFAOYSA-N 354.366 1.390 0 50 FDAA O=C(c1cccc(-c2ncc[nH]2)c1)N1CC[C@H]2NCCC[C@]2(C(=O)O)C1 72147312 QZMVOLUZOCGNPO-BEFAXECRSA-N 354.410 1.746 0 50 FDAA NS(=O)(=O)CCCC(=O)N1CCC[C@@H](COc2cccc(F)c2)C1 72448229 RMFLPFIFMIDJOA-CYBMUJFWSA-N 358.435 1.512 0 50 FDAA CN1CCc2n[nH]c(C(=O)N(C)C[C@@H]3CCN(c4ccccc4)C3)c2C1 77489773 UOWZYCRDVZSFKL-HNNXBMFYSA-N 353.470 1.996 0 50 FDAA Cc1c(C(=O)N(C)C[C@H]2COc3ccccc3O2)nnn1C1CCNCC1 262603649 DRRHUKPFPIASFW-HNNXBMFYSA-N 371.441 1.423 0 50 FDAA O=C(C[C@@H]1C=CCC1)N1CCc2ncnc(N3CCC(O)CC3)c2CC1 72407404 ASNINKFTXPFUHI-OAHLLOKOSA-N 356.470 1.721 0 50 FDAA CCc1cc(NCc2cc3n(n2)CCCN(C(C)=O)C3)nc(N(C)C)n1 82097610 NZUYNDZEEBYSIX-UHFFFAOYSA-N 357.462 1.666 0 50 FDAA COc1ccc(N2CCN(C(=O)c3cc(=O)cc(C)o3)[C@H](C)C2=O)cc1 222318711 NAXCTLUYTZSBLM-CYBMUJFWSA-N 356.378 1.834 0 50 FDAA CCN1C[C@@]2(CCCN(C(=O)CCc3nc(Cl)n[nH]3)C2)CCC1=O 82099988 XAOFKZVUTDZREX-MRXNPFEDSA-N 353.854 1.642 0 50 FDAA Cc1nn(C)cc1S(=O)(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 286571872 FCANPNRJGVQJQI-BRWVUGGUSA-N 361.467 1.922 0 50 FDAA Cc1nc(CSc2nnc(C3CCNCC3)n2C[C@H]2CCCO2)n[nH]1 426544439 QKFVIUPCWJEWPV-CYBMUJFWSA-N 363.491 1.643 0 50 FDAA Cc1nc(CC(=O)N2CCn3nc(CNc4ncccn4)cc3C2)cs1 426503564 OGUMSWLTACOKAJ-UHFFFAOYSA-N 369.454 1.635 0 50 FDAA COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1 43152599 CSGQVNMSRKWUSH-IAGOWNOFSA-N 368.441 1.375 0 50 FDAA investigational COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)NCc2cccnc2)n1 44893796 NTMAZAHOLRUBDT-UHFFFAOYSA-N 368.368 1.769 0 50 FDAA Cc1ccc([C@H](C)NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cn1 426582886 UIAUHTBSTRFPOO-INIZCTEOSA-N 373.501 1.966 0 50 FDAA CN1CCN(C(=O)CC[C@H]2CCCN(Cc3cnc(N(C)C)nc3)C2)CC1 95499382 KVJUYOITUDHDTG-QGZVFWFLSA-N 374.533 1.309 0 50 FDAA O=C(NCCc1ccccc1)c1cccc(S(=O)(=O)N[C@@H]2CCOC2)c1 95376690 IRYMTCJNXWENQH-QGZVFWFLSA-N 374.462 1.726 0 50 FDAA Cn1cc(-c2ncc(C(=O)N3CCN(C[C@@H]4CCOC4)CC3)s2)cn1 178105755 YUYRBGFOBJEIGZ-ZDUSSCGKSA-N 361.471 1.338 0 50 FDAA CSc1cccc(CN(C)C(=O)c2cnc(Cn3cncn3)nc2O)c1 91768963 VYOGMGDYOSYEPC-UHFFFAOYSA-N 370.438 1.816 0 50 FDAA Cc1nc(N(C)C)ncc1C(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccn2)C1 97528854 NWLDHGCOWKFHKQ-ZIAGYGMSSA-N 355.398 1.186 0 50 FDAA O=C1CCC2(CCN(C(=O)c3cnc(C4CC4)nc3)CC2)CN1CCCO 91434352 PBDBCHDDTQJBMH-UHFFFAOYSA-N 372.469 1.581 0 50 FDAA O=C(O)Cn1nc(Cc2cccc(Cl)c2)nc1Cn1ccccc1=O 97655387 QGZYHBAKNFDEKS-UHFFFAOYSA-N 358.785 1.817 0 50 FDAA CCn1ncnc1[C@@H](NC(=O)C1CCN(C2CCOCC2)CC1)C1CC1 426510292 YJNIPGGNHCRXJW-KRWDZBQOSA-N 361.490 1.756 0 50 FDAA CN1CCC(CNC(=O)Cc2cnc(O)nc2O)(c2ccccc2)CC1 426615552 PIPPQUPNEWTCER-UHFFFAOYSA-N 356.426 1.210 0 50 FDAA O=C(CC[C@@H]1CCCN2CCCC[C@H]12)NCc1nc(-c2cnccn2)n[nH]1 426546073 DLIBBRYQIUAEQS-GOEBONIOSA-N 369.473 1.923 0 50 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351.378 1.179 0 50 FDAA O=C(N[C@@H]1CCCN(c2ncccn2)C1)C1CCN(C(=O)C2CCC2)CC1 95385818 XGKCLVOQGYTNAE-QGZVFWFLSA-N 371.485 1.600 0 50 FDAA Cc1cc(C)n(-c2cccc(CN3CCCN([C@H]4COC[C@@H]4O)CC3)c2)n1 97515130 RRMSGOJMFWQFHX-SFTDATJTSA-N 370.497 1.757 0 50 FDAA CCc1nc(C)sc1C(=O)N=c1cc(C)[nH]n1[C@@H]1CCS(=O)(=O)C1 334159125 AOYOROJVJUVDAZ-LLVKDONJSA-N 368.484 1.553 0 50 FDAA CCN(CC)S(=O)(=O)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 244734363 NEDSFYMBOHEJER-UXLLHSPISA-N 354.472 1.610 0 50 FDAA CC1(C)CC(CC(=O)NCc2nc(-c3cnccn3)n[nH]2)CC(C)(C)N1 244816945 SRPMMAVUNMMKQD-UHFFFAOYSA-N 357.462 1.825 0 50 FDAA COc1ccc([C@H](NS(=O)(=O)c2cn(C)cn2)[C@H]2C[C@@H](O)C2)cc1F 244734336 NDPJIKXLKCATKD-OZVIIMIRSA-N 369.418 1.358 0 50 FDAA Nc1nc(O)cc([C@H]2C[C@@H](NC(=O)c3nc4ccccc4nc3O)C2)n1 253535939 YUQIURFJEYLWFW-DTORHVGOSA-N 352.354 1.089 0 50 FDAA COc1ccc(C)cc1-n1ccc(C(=O)N2CCO[C@@H](CC(=O)O)C2)n1 299749455 KJIGFVRLDTZUKJ-ZDUSSCGKSA-N 359.382 1.505 0 50 FDAA C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@@H]1CC[C@]2(O)C(=O)CO 257358351 SYGWGHVTLUBCEM-GZXBWKMKSA-N 364.482 1.862 0 50 FDAA Cn1ncc2c(=O)n(CC(=O)N3CC[C@H](c4c(F)cccc4F)C3)cnc21 184910541 FARQJWSPJVCPRL-NSHDSACASA-N 373.363 1.424 0 50 FDAA CNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccccc2)C3)CC1 263618511 UDMIORJOSCRFSU-KRWDZBQOSA-N 368.437 1.753 0 50 FDAA COc1ccccc1-c1noc(CCCC(=O)N2CCCNC(=O)C2)n1 299779218 SVXQMSGVMQKBST-UHFFFAOYSA-N 358.398 1.416 0 50 FDAA CS(=O)(=O)Nc1cccc(NC(=O)NCCN2CCCC[C@@H]2CO)c1 299774574 HHCUXPNGQQDOQN-OAHLLOKOSA-N 370.475 1.026 0 50 FDAA Cc1[nH][nH]c(=O)c1CC(=O)N1CCN(Cc2cc(F)cc(F)c2)CC1 299757006 GJBDJOXMKRDKTL-UHFFFAOYSA-N 350.369 1.177 0 50 FDAA Cc1ccc(-c2ccno2)cc1S(=O)(=O)N[C@@H]1CC=CC[C@H]1C(N)=O 826847006 ZEYDJFRLZFWQCT-ZIAGYGMSSA-N 361.423 1.748 0 50 FDAA Nc1nc2c(c(C(=O)NCc3cc(-c4cccnc4)no3)n1)CCCC2 584887881 CDAFMNUDIPOZES-UHFFFAOYSA-N 350.382 1.918 0 50 FDAA Cc1nc(C)c(CC(=O)N2C[C@H](c3ccc(F)cc3)[C@@H](C(=O)O)C2)c(O)n1 1073367249 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Cc1csc2c(N[C@@H]3COC[C@H]3CS(=O)(=O)N(C)C)ncnc12 1704312729 XSFJJNAEMOUXKJ-WDEREUQCSA-N 356.473 1.318 0 50 FDAA CN1CCC(N2CCC[C@H](NC(=O)c3ccc4nccnc4c3)C2)CC1 11998445 KETWWEYVOXMYKZ-INIZCTEOSA-N 353.470 1.918 0 50 FDAA CN1CCCC[C@H]1CCNC(=O)c1ccc(N2CCC(CO)CC2)nc1 12472977 TUJKCNWKBHGGQJ-SFHVURJKSA-N 360.502 1.895 0 50 FDAA CCOc1cc(CNCCO)ccc1Oc1nnnn1-c1ccccc1 13855792 PVTJQIYWOVJESP-UHFFFAOYSA-N 355.398 1.935 0 50 FDAA O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)N2CCC[C@@H]2CO)c1 158367012 NYHZYVQAALUHGM-LLVKDONJSA-N 366.361 1.124 0 50 FDAA c1cc2cc(-c3nc(C4CCOCC4)nn3C[C@@H]3COCCO3)ccn2n1 1857676823 MJTDPYSNZGRAKU-QGZVFWFLSA-N 369.425 1.902 0 50 FDAA COCCC[C@@]1(CO)CN(C(=O)COc2ccc(F)cc2)CC[C@H]1O 1857723185 WCAXYLJRDQLYTO-AEFFLSMTSA-N 355.406 1.203 0 50 FDAA O=C(N[C@@H]1C[C@@H](C(=O)N2C[C@H]3CCC[C@H]3C2)CC[C@H]1O)c1ccccn1 1875245185 OAFDWSHCLHAGDH-KCEFYPGHSA-N 357.454 1.600 0 50 FDAA CCn1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(c2cnccn2)C3)cc1=O 216191299 IBAFMAPLPWLVFW-ZBFHGGJFSA-N 353.426 1.399 0 50 FDAA COc1ccc([C@H]2CN(C(=O)c3cnc(C)nc3C)C[C@@H]2NC(C)=O)cc1 219590124 FICWZBXURKWOHI-MOPGFXCFSA-N 368.437 1.846 0 50 FDAA O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)N1Cc2ccc(Cl)cc2C1 333588268 BANBQOSABDFCGZ-MUIFIZLQSA-N 374.824 1.735 0 50 FDAA CNS(=O)(=O)CC(=O)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 456157730 ZNENZKWQWKVVBH-UHFFFAOYSA-N 362.854 1.762 0 50 FDAA CCN1CCO[C@H](C(=O)N[C@H]2CCN(c3cc(Cl)ccc3OC)C2)C1 246486665 XAGQNLGELGCNOE-YOEHRIQHSA-N 367.877 1.764 0 50 FDAA O=C(O)CNC(=O)CN1CCC(c2ccccc2Br)CC1 263577345 RLCJLRLHJBHMKW-UHFFFAOYSA-N 355.232 1.829 0 50 FDAA Cc1csc2c(=NCC3CC4(C3)C[C@H](N)CCS4(=O)=O)[nH]cnc12 1875279302 OFBLOKDWLWZRFW-BWBHSNQOSA-N 366.512 1.518 0 50 FDAA CC(C)(C)[C@H](O)c1cn(C2CN(C(=O)c3ccn4ccnc4c3)C2)nn1 1875356441 KKOZPISYMNGCIV-MRXNPFEDSA-N 354.414 1.702 0 50 FDAA Cc1c(C(=O)N2CCC[C@]23CCC[S@@](=N)(=O)C3)nn2c1OCCC2 1875395714 JNORZNBBRPSZTH-VOIUYBSRSA-N 352.460 1.789 0 50 FDAA C=CC(=O)NCC[C@H]1CCCCN1C(=O)[C@H](C)n1nnnc1C(C)(C)C 1875385843 CYVPCRXQGAGEPY-UONOGXRCSA-N 362.478 1.605 0 50 FDAA C[C@@]1(NC(=O)c2ccc3n[nH]cc3c2)CCCN(C(=O)Cc2cn[nH]c2)C1 1875358012 GAJQHEXBGUDCNQ-LJQANCHMSA-N 366.425 1.640 0 50 FDAA COCc1cccc(CN[C@@H]2CCN(c3nc(C(N)=O)nc(C)c3C)C2)c1 1875396769 AGAMANATNQPWCC-QGZVFWFLSA-N 369.469 1.707 0 50 FDAA C[C@@H](C(=O)NC1CC(N(C)C(=O)Cc2cscn2)C1)c1cncnc1 1875342816 IMZKQIOMBZJGJI-NUYPLMSZSA-N 359.455 1.385 0 50 FDAA CCN(C(=O)c1cnc2n1CCC2)[C@@H]1CCN(C(=O)Cc2cnoc2)C1 1875408137 PDEDZSFHCWDEQF-CQSZACIVSA-N 357.414 1.123 0 50 FDAA O=C(N[C@@H]1CCCN(CCN2CCOCC2)C1)c1c(F)cc(F)cc1F 882633749 XRRGHUXGMRUKIR-CQSZACIVSA-N 371.403 1.630 0 50 FDAA C=CC(=O)N(C)CC(=O)N[C@@H](C(=O)OC)c1ccc(C(F)(F)F)cc1 885510481 HQDAVXLOFZQKOL-CQSZACIVSA-N 358.316 1.680 0 50 FDAA Cc1cn2c(n1)[C@H](C)C[C@H](C(=O)NCc1cc(=O)n3ccccc3n1)C2 2325792481 IEFZLEIQBUFWSU-OCCSQVGLSA-N 351.410 1.639 0 50 FDAA O=C(C[C@H]1CCOC1)NC[C@@H]1CC12CCN(C(=O)c1cnccn1)CC2 2325824808 QSZXKPUGIINJHZ-CABCVRRESA-N 358.442 1.262 0 50 FDAA CN1CCCN(C(=O)c2ccccc2NC(=O)C23C4C5C6C4C2C6C53)CC1 2332238131 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Cc1c(C(=O)N2CCCC[C@H]2C(=O)O)nnn1-c1ccc2c(c1)OCCO2 262695782 XHPVQAIYPYYDPW-ZDUSSCGKSA-N 372.381 1.426 0 50 FDAA CCn1ccnc1CN(C(=O)c1n[nH]c2c1CCC2)[C@@H]1CC12CCNCC2 261754421 KJGNLRAJGURVMN-MRXNPFEDSA-N 368.485 1.899 0 50 FDAA CC(C)CO[C@@H]1CCN(C(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)C1 332808426 FVYNKDZWXXPBTH-UXLLHSPISA-N 374.503 1.179 0 50 FDAA CNC(=O)CCN1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 77503422 KIYOJGYZJMMVPR-LJQANCHMSA-N 359.474 1.126 0 50 FDAA CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1cccc(S(=O)(=O)CC)c1 281110715 GJNBZTYKUTUWML-CQSZACIVSA-N 374.528 1.585 0 50 FDAA CC(C)CCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2cnn(C)c2)[C@H]3C1=O 77427636 DVNXLHWNCNOLTQ-CLWJZODNSA-N 372.469 1.207 0 50 FDAA Cc1cc(C(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)cc(C)c1F 262946560 CVZWBUMZBAHMPR-UHFFFAOYSA-N 350.390 1.838 0 50 FDAA CC(=O)c1ccc(NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)nc1 82137786 XNAIRWXPZOUUEL-UHFFFAOYSA-N 363.443 1.258 0 50 FDAA Cc1nnc(SCC(=O)N2CCC(O)(c3cccnc3)CC2)s1 223935907 JCMLAUZYEAPUJV-UHFFFAOYSA-N 350.469 1.844 0 50 FDAA Cc1cccc2ncc(C(=O)NC3CCN(c4cnccn4)CC3)c(=O)n12 426527114 XTPJCKHPQAILCH-UHFFFAOYSA-N 364.409 1.192 0 50 FDAA Cc1nn(C)c(C)c1CN(C)C(=O)c1cccc(-c2cc(O)nc(N)n2)c1 426538372 KUYIHODVFGJDMQ-UHFFFAOYSA-N 366.425 2.054 0 50 FDAA O=C(Cn1ccc(=O)c2ccccc21)NCc1cccc(-c2nnn[nH]2)c1 222737433 XTAGVGIHIJNCBB-UHFFFAOYSA-N 360.377 1.498 0 50 FDAA O=C(C1CCN(Cc2nc(-c3ccncc3)no2)CC1)N1CCOCC1 40926955 WUQAIMPSOFQZCK-UHFFFAOYSA-N 357.414 1.202 0 50 FDAA O=C(Cn1ccc([C@H]2CCCNC2)n1)NCc1n[nH]c2c1CCCCC2 426506882 XCJBZAWQLNXRIZ-AWEZNQCLSA-N 356.474 1.659 0 50 FDAA C[C@H](C(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O)c1ccc(Cl)s1 177675164 XEFIHYQPUZVCIV-UTEYVOQOSA-N 355.847 2.000 0 50 FDAA Cc1cccc(C[C@H](C)NC(=O)N2CCC(c3nnc(CO)n3C)CC2)n1 426573104 LSSXSNUGFPANST-AWEZNQCLSA-N 372.473 1.531 0 50 FDAA Cc1cnn(CCC(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc4c(c3)OCO4)C2)c1 91651291 QYTDDMDLVNZJRZ-LSDHHAIUSA-N 371.393 1.637 0 50 FDAA CCn1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2nc[nH]c2C)C3)cc1=O 91873023 UAAQTAYVNJLKKM-DOTOQJQBSA-N 369.469 1.636 0 50 FDAA COC[C@@H]1CCCN(S(=O)(=O)N2CCC(c3nccn3C)CC2)C1 91644062 LHZSXYYVJCNTSO-CQSZACIVSA-N 356.492 1.203 0 50 FDAA CN(C)C(=O)N1CCn2nc(CNC(=O)c3onc4c3CCCC4)cc2C1 426382856 CEKMVWSJEAZREA-UHFFFAOYSA-N 372.429 1.177 0 50 FDAA Cc1cc(-c2ccc(C(=O)N(CCO)Cc3nccn3C)cc2)nc(N)n1 426641522 LWIZYQARAPVQQL-UHFFFAOYSA-N 366.425 1.402 0 50 FDAA NC(=O)Cn1ccnc1C1CCN(CC(=O)N2CCc3ccccc32)CC1 95498136 MKFNRNQFYNPPQM-UHFFFAOYSA-N 367.453 1.137 0 50 FDAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2n[nH]c(N)c2-c2ccccc2)on1 95368369 QORYOXUZLOSDDD-HIFRSBDPSA-N 367.409 1.943 0 50 FDAA COc1ccc2c(c1)OC[C@@H](Cc1cncc(C(=O)N3CCOCC3)n1)C2 91269800 NDSOLDIYEXNCGT-CQSZACIVSA-N 369.421 1.751 0 50 FDAA CCOC(=O)N1CCN([C@@H](C(=O)O)c2ccc(-c3ccn[nH]3)cc2)CC1 95390089 FUEPIHKZQHZWHJ-MRXNPFEDSA-N 358.398 1.977 0 50 FDAA Cc1cccc2cc(C(=O)N3CC[C@@]4(CCCN(CCO)C4=O)C3)n(C)c12 91691709 VRBPMUKHFAUTAJ-NRFANRHFSA-N 369.465 1.934 0 50 FDAA O=C1CN(c2ccc(C(=O)N[C@H](CO)c3ccc(F)cc3)cc2)C(=O)N1 96180721 FPZBLGHXLKCYLS-OAHLLOKOSA-N 357.341 1.345 0 50 FDAA CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cccnc2)CN1C1CCOCC1 96142191 WOBBSAFUXBSDQW-WMZOPIPTSA-N 374.485 1.302 0 50 FDAA C[C@H](O)CN1CC2(CCC1=O)CCN(C(=O)Cc1cccc(F)c1)CC2 91781251 ZTPIFZUOIDYWSI-HNNXBMFYSA-N 362.445 1.980 0 50 FDAA CCOC(=O)c1c(C)[nH]c(C(=O)N(C)CC2(CO)CCOCC2)c1C 95370336 LEHABTBQKAYFBA-UHFFFAOYSA-N 352.431 1.669 0 50 FDAA c1cnc(N2CCC(c3nnc(Cn4cncn4)n3C3CC3)CC2)nc1 91988093 FEEZLXKXDFBYKD-UHFFFAOYSA-N 351.418 1.427 0 50 FDAA COc1ccc2c(c1)[C@H](C(=O)NCc1cn3c(n1)SCC3)CC(=O)N2 91625678 RKRNUEIGCPFUFV-CYBMUJFWSA-N 358.423 1.740 0 50 FDAA O=C1[C@H]2[C@H](C(=O)N1c1ncn(Cc3ccc(Cl)cc3)n1)[C@H]1CC[C@H]2O1 245326818 LNQCOWBRLPLHHH-AAVRWANBSA-N 358.785 1.647 0 50 FDAA COc1ccc([C@H]2[C@@H](C(=O)Nc3nc(C)n(C)n3)CCC(=O)N2C)cc1 293598177 CQVZZGNJJTYMFA-HOCLYGCPSA-N 357.414 1.680 0 50 FDAA CCc1nccn1CC(=O)NCc1noc(-c2ccc3c(c2)OCO3)n1 244894066 YZJBBWZWIPKYGN-UHFFFAOYSA-N 355.354 1.541 0 50 FDAA CNC(=O)[C@H]1CN(C(=O)c2cccnc2Nc2ccccc2F)CCO1 183982130 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FDAA O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)N2CCC[C@H](O)C2)c1 158007606 SYFPKMOTVWZOFM-NSHDSACASA-N 366.361 1.124 0 50 FDAA COc1ccccc1C=Cc1nnc([C@H]2CN(S(C)(=O)=O)CCO2)o1 1857532283 UCFSKKLWQBDBRI-CQSZACIVSA-N 365.411 1.582 0 50 FDAA CC[C@]12COC(=O)N1CCN(C(=O)c1cc(=O)n(C)c3ccccc13)C2 1857678619 PVDSGTSUFFTGGM-IBGZPJMESA-N 355.394 1.595 0 50 FDAA O=C(NCCOCCO)[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857713214 LKBMKSAJMAMLKQ-LBPRGKRZSA-N 367.833 1.823 0 50 FDAA Cc1cc(C(=O)N2C[C@@H](O)[C@H](Cc3cnccn3)C2)cc2sc(=N)[nH]c12 1857725809 NYTNSLOFEIOFKH-TZMCWYRMSA-N 369.450 1.483 0 50 FDAA CC(C)[C@@H]1CN2C[C@@H](NS(=O)(=O)Cc3ccc(F)cc3F)C[C@H]2CO1 1857733806 ZPALQTZNRMIXFH-ZOBUZTSGSA-N 374.453 1.882 0 50 FDAA O=C(c1cc2c(nc1O)CCCC2)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857737243 COJPBOCWGZTVGK-BEFAXECRSA-N 357.410 1.229 0 50 FDAA Cc1ccn2c(=O)cc(CN3C[C@@H](O)[C@H](Cc4ccccn4)C3)nc2c1 1875249891 ICXVMQWWPPBDQE-CRAIPNDOSA-N 350.422 1.433 0 50 FDAA C[C@]1(CNS(=O)(=O)C[C@@H]2CCOC2)CCCN1Cc1ccccc1 119694487 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1.607 0 50 FDAA CC(C)(C)C(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3CCOC3)ccc2C1 77356815 DWOLJTYEIJTZHJ-OAHLLOKOSA-N 366.483 1.685 0 50 FDAA CC(=O)Nc1ccc(NC(=O)CN2CC[C@H](Cc3cnn(C)c3)C2)cc1 363170095 CEKNQMSHFJRKJS-OAHLLOKOSA-N 355.442 1.882 0 50 FDAA Cc1ccn2c(C(=O)NC[C@H]3CC(=O)N(c4ccccc4)C3)nnc2n1 216147486 PHYGADXBMGQGFN-CYBMUJFWSA-N 350.382 1.216 0 50 FDAA C[C@H]1Oc2c(cccc2C(=O)NCc2ccc(-n3ccnc3)nc2)NC1=O 363483419 IEITVZVTJXYECO-GFCCVEGCSA-N 363.377 1.917 0 50 FDAA CC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O 153184280 RVWYSXIGNXJMIO-WBVHZDCISA-N 361.417 1.838 0 50 FDAA CN(C)Cc1ccccc1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 365855765 LIHNKDSDXOFIDE-GOSISDBHSA-N 358.486 1.127 0 50 FDAA O=C1NCCc2ccc(S(=O)(=O)N[C@H]3CCc4ccccc4OC3)cc21 367193433 WATGDXLMQVNZBQ-HNNXBMFYSA-N 372.446 1.645 0 50 FDAA Cn1c(CN2CCCC2)nnc1[C@H]1CCCN(c2cc(C(N)=O)ccn2)C1 72475732 SBXFWKFTJLHRAZ-HNNXBMFYSA-N 369.473 1.289 0 50 FDAA COCCc1ncc(CN2CCN(C(=O)c3cccc(OC)c3)CC2)cn1 72128956 LADZMJIQVNISIW-UHFFFAOYSA-N 370.453 1.632 0 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362.407 1.956 0 50 FDAA CC(C)NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 41890963 ODFNZGOUUIGPRF-ZDUSSCGKSA-N 367.471 1.435 0 50 FDAA O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCOC[C@H]1c1nc[nH]n1 283881433 JDJRTDCGTFTOLZ-NSHDSACASA-N 363.226 1.874 0 50 FDAA NC(=O)c1ccc(O[C@@H]2COCC[C@H]2NC(=O)c2c(O)cccc2F)cc1 223767016 FBEJRCSNRQQMGY-GDBMZVCRSA-N 374.368 1.597 0 50 FDAA CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(C(=O)c2cc(N(C)C)ccn2)C1 285965219 WZAAOCUPGGLEHQ-HIFRSBDPSA-N 356.430 1.745 0 50 FDAA COc1ccc(C(=O)NCC2(O)CCC(F)(F)CC2)c(OCCN)c1 426722352 CUCQKAVVFKTIRD-UHFFFAOYSA-N 358.385 1.703 0 50 FDAA COc1ccc(NC(=O)N[C@H]2CCCN(c3cnccn3)C2)cc1C(N)=O 426538598 PBFXYJORKQYKJP-ZDUSSCGKSA-N 370.413 1.375 0 50 FDAA O=C(c1cnn2ccccc12)N1CCC[C@@H](Cn2cc(CCO)nn2)C1 48155968 DCWKSRZTZKWJIY-CQSZACIVSA-N 354.414 1.013 0 50 FDAA CN1CC(=O)N(CC(=O)Nc2cccc(NC(=O)c3cccnc3)c2)C1=O 46244586 CZZZPLWQZHKHFR-UHFFFAOYSA-N 367.365 1.166 0 50 FDAA COc1cccc(-n2cc(CN(C)Cc3cc(=O)n4[nH]cnc4n3)cn2)c1 334159594 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O=C(N[C@H]1CCOC[C@@H]1OCc1ccccn1)c1ccc2nn[nH]c2c1 1565511327 IDINNDJGHOZJAE-RDJZCZTQSA-N 353.382 1.457 0 50 FDAA CN1CCN(C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)[C@H](CN)C1 170677280 NMFFLANFGZOSNM-GFCCVEGCSA-N 369.347 1.470 0 50 FDAA CC(C)[C@@H](NC(=O)NC1CCC2(CC1)OCCO2)c1nnc2n1CCC2 170623133 QMMXUTOFGLTNKA-OAHLLOKOSA-N 363.462 1.906 0 50 FDAA C[C@@H](O)CN1C(=O)N[C@](C)(c2ccc(I)cc2)C1=O 193383889 KQQUKZXLSOCPJB-AMIZOPFISA-N 374.178 1.439 0 50 FDAA CS(=O)(=O)c1ccc(CC(=O)N[C@H]2COC[C@@H]2Cc2ccncc2)cc1 1615734078 CTKKVYPCEHPCRF-WMZOPIPTSA-N 374.462 1.402 0 50 FDAA O=C(N[C@H]1CCN(c2ncc(Cl)cc2Cl)C[C@@H]1O)c1cnccn1 216938060 SXBKYZKJQRABRR-AAEUAGOBSA-N 368.224 1.548 0 50 FDAA COc1cccc(OC)c1[C@@H](C(=O)O)N1CCC2(CCC(=O)N2C)CC1 1529114663 RUBKDWYZZMXYRL-KRWDZBQOSA-N 362.426 1.916 0 50 FDAA C[C@H](C(=O)N1CCCN(C(=O)c2ccc(N)nc2)CC1)N1CCCCC1 1529151276 ALTFYARQNQHOLP-OAHLLOKOSA-N 359.474 1.213 0 50 FDAA CN1CCC[C@]2(C(=O)O)CCN(C(=O)CCn3cnc4ccccc43)C[C@@H]12 1704337935 HNGBVDQNRRDUEJ-XLIONFOSSA-N 370.453 1.824 0 50 FDAA CC(C)(CN1CCCN(C(=O)C[C@@H]2CCCOC2)CC1)N1CCOCC1 1775980572 CXOVFFHMDUOBTJ-SFHVURJKSA-N 367.534 1.448 0 50 FDAA Cc1c(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)nnn1-c1ccc(Cl)cc1 11690208 DCDSCIGFEFQEAU-ZDUSSCGKSA-N 368.846 1.488 0 50 FDAA O=C(Cn1cncn1)N1CC[C@]2(CCCN(Cc3ccccc3F)C2)C1 12597415 RPFRPUVBWLPQBX-IBGZPJMESA-N 357.433 1.932 0 50 FDAA CC[C@@H](C(=O)N1CCOCC1)N(c1cccc(Cl)c1)S(C)(=O)=O 13711887 UGBJKTCLIXLECJ-AWEZNQCLSA-N 360.863 1.743 0 50 FDAA COC(=O)CCCNC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2OC)C1 15074216 OPKFRGYCPSJVGB-OAHLLOKOSA-N 362.426 1.503 0 50 FDAA CCCN1CCO[C@@]2(CCN(CCS(=O)(=O)c3ccccc3)C2)C1 1857692374 BKIOZMZTXHSNSV-SFHVURJKSA-N 352.500 1.647 0 50 FDAA Cc1ccc2nc(N3C[C@@H](C(=O)N4CCC(O)CC4)CC3=O)sc2c1 1857696975 HGUMZOPTBSQQSA-LBPRGKRZSA-N 359.451 1.941 0 50 FDAA CC(C)Cc1nc(-c2cccc3nn[nH]c23)n([C@H]2CCS(=O)(=O)C2)n1 1857702017 WCMRXILEEDMTPB-NSHDSACASA-N 360.443 1.775 0 50 FDAA CCC[C@@]1(CO)CN(c2c(C(=O)O)cnc3c2c(C)nn3C)CC[C@@H]1O 1857713894 WFYWNPNSKOOWPI-UGSOOPFHSA-N 362.430 1.325 0 50 FDAA Cc1nnc(CN2C[C@@H]3OCCC(=O)N(Cc4ccccc4)[C@H]3C2)s1 1857726841 FOCHAWBHXFJHJH-HOTGVXAUSA-N 358.467 1.848 0 50 FDAA CCC[C@]1(CO)CCN(CC(=O)NCc2ccccc2OC)C[C@H]1O 1875251212 YSJZHHYLCRUKEM-IEBWSBKVSA-N 350.459 1.157 0 50 FDAA CCOCCn1c(=O)c2c(nc(-n3nc(C)cc3C)n2C(C)C)n(C)c1=O 12231546 PBOUWXAHSVYYPF-UHFFFAOYSA-N 374.445 1.317 0 50 FDAA COc1nc(C)ccc1C(=O)N[C@H]1CCOC[C@H]1Nc1ccnc(C)n1 952887227 LDGYFHUTXROKDV-LSDHHAIUSA-N 357.414 1.496 0 50 FDAA Cc1cnccc1C(=O)N[C@H]1CCOC[C@H]1Nc1cc(N(C)C)ncn1 952888714 NUPHBUWZJXDBEL-LSDHHAIUSA-N 356.430 1.245 0 50 FDAA Cn1ncc(CCC(=O)N2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)n1 952848254 IZYAIGDVHGZPRE-CABCVRRESA-N 355.446 1.395 0 50 FDAA O=C(CN(CCCO)[C@H]1CCc2ccccc21)N[C@H]1CCCCNC1=O 1875258612 JHMBRBIINMPSKL-ROUUACIJSA-N 359.470 1.143 0 50 FDAA Cc1ccc(F)c2[nH]c(C(=O)N[C@@H]3CCN(c4ccn(C)n4)C3=O)cc12 1875268586 AIIKZAUKPKHZSM-CYBMUJFWSA-N 355.373 1.884 0 50 FDAA C[C@@H]1CCC[C@@H](OCC(=O)N2CCCN(c3ncnc4[nH]cnc34)CC2)C1 1875265917 KNQYHVOMMJBIGZ-HUUCEWRRSA-N 372.473 1.987 0 50 FDAA CC[C@H](C)[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1Cc1ccc(F)cc1F 1875304511 MFQKPJCQKRMRQV-QITLCBANSA-N 367.440 1.988 0 50 FDAA C=CC(=O)N1CCC[C@@H](C(=O)NC[C@](C)(O)c2ccc(F)cc2F)C1 1875371414 ZINPWKGYJHAOLQ-XIKOKIGWSA-N 352.381 1.713 0 50 FDAA CN=[S@@]1(=O)CCC[C@]2(CCCN2C(=O)c2ccc(-n3cnnn3)cc2)C1 1875396203 YNSCRKDERXZBEV-WGDIFIGCSA-N 374.470 1.529 0 50 FDAA CS(=O)(=O)NCCC(=O)N[C@H]1CCCN(Cc2ccccc2Cl)C1 1875332954 SEGLHXYNZKYCKJ-AWEZNQCLSA-N 373.906 1.360 0 50 FDAA CO[C@@H]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)CCc2cncs2)C1 1875407387 YSFRTBMAAIBXRZ-AYRXBEOTSA-N 351.472 1.654 0 50 FDAA CO[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cnn3c2OCCC3)[C@@H]1C 886093363 DKQPVZXJLXLHJJ-IUODEOHRSA-N 363.439 1.821 0 50 FDAA CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(CC)CC3)C2=O)cc1 100081977 HOYJOMNQPVQDDA-MRXNPFEDSA-N 359.426 1.133 0 50 FDAA CCN1CCN(c2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)CC1 2111923 CXRNKHLRXXMCMX-UHFFFAOYSA-N 370.453 1.626 0 50 FDAA biogenic COc1ccc(N2CCN(C(=O)c3cccc4ncnn34)[C@H](C)C2=O)cc1 2100544886 AAIBGFWMUGJMFF-CYBMUJFWSA-N 365.393 1.615 0 50 FDAA O=C1N[C@H](CCSC(F)(F)F)C(=O)N[C@H]1C1(C(F)(F)F)CC1 2325770373 CIZBGRYBKNIRHF-PHDIDXHHSA-N 350.284 1.955 0 50 FDAA COc1ccc2cnn(CC(=O)N[C@H]3C[C@@H](C)n4ccnc43)c(=O)c2c1 2325791770 RRTJOXKSADVMDP-ABAIWWIYSA-N 353.382 1.424 0 50 FDAA CC1(C)[C@H](CN)C[C@H]1NC(=O)c1nc2c(Br)cccn2n1 2325800175 UOKIAPZAUMPOQV-WCBMZHEXSA-N 352.236 1.595 0 50 FDAA CN1CCc2nc(C(=O)NCc3nc(-c4ccncc4)n[nH]3)sc2C1 2325822110 DRRXPMPHMFXCJS-UHFFFAOYSA-N 355.427 1.241 0 50 FDAA O=C(NCC[S@@](=O)c1ccccc1F)c1cccc2nc(CO)[nH]c12 2325870814 QQGLPXMKOONMQR-RUZDIDTESA-N 361.398 1.732 0 50 FDAA Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccnc1 1138649 QMIGPTSXKBSBOZ-UHFFFAOYSA-N 361.423 1.663 0 50 FDAA NS(=O)(=O)c1ccc(CCNC(=S)NCCc2ccccc2)cc1 1154020 HMSJDNDPQKLWKI-UHFFFAOYSA-N 363.508 1.583 0 50 FDAA CCCCCn1c(S[C@@H](C)C(=O)OC)nc2c1c(=O)[nH]c(=O)n2C 1815920 WVJNOOTYKUTSTQ-VIFPVBQESA-N 354.432 1.267 0 50 FDAA COCCC[C@@]1(CO)CN(Cc2ccc(OC)c(C(=O)O)c2)CC[C@H]1O 2356138827 QUCJMYSTTOQXGK-MJGOQNOKSA-N 367.442 1.365 0 50 FDAA COc1cc(S(=O)(=O)N2CCC[C@@]23CCCNC3=O)c(OC)cc1C 2356146013 NPDWCTLSJMHTAA-QGZVFWFLSA-N 368.455 1.446 0 50 FDAA O=C(COC[C@H]1CCCCO1)N1CCc2nc(-c3ccccc3)nn2CC1 2356148000 BTUSUKWXCKUPAM-QGZVFWFLSA-N 370.453 1.916 0 50 FDAA CCCN1CCC(NC(=S)Nc2ccc(S(N)(=O)=O)cc2)CC1 2859195 LEBUMKBXBGVEFY-UHFFFAOYSA-N 356.517 1.495 0 50 FDAA COc1ccc(OC)c(NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 101695715 KJPDJTAACQRPGI-BNBDDXAPSA-N 358.394 1.673 0 50 FDAA CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)C1 245631749 VKRFWMYWSFIDAQ-FRRDWIJNSA-N 358.410 1.609 0 50 FDAA O=C1NCCN(C(=O)c2ccc(Cn3cccn3)o2)[C@@H]1Cc1ccccc1 102535127 OSYRTZLFLFBULC-QGZVFWFLSA-N 364.405 1.708 0 50 FDAA Cc1cc(C)n2nc(CC(=O)N(Cc3ccccc3)C[C@@H](C)CO)nc2n1 65382388 GWAKWQGXXGJVJU-CQSZACIVSA-N 367.453 1.941 0 50 FDAA CC[C@@H]1C(=O)N(C)CCN1C(=O)c1cc(COc2cccc(OC)c2)[nH]n1 67895420 DLDVDUFXHMWILI-QGZVFWFLSA-N 372.425 1.690 0 50 FDAA Cc1cccc(-c2nc(N)nc3c2CN(C(=O)CCn2cnnn2)[C@@H]3C)c1 67672958 HMKQNNMJLGHAGJ-GFCCVEGCSA-N 364.413 1.514 0 50 FDAA CCn1c([C@@H]2CCCN(C(=O)CCc3ccc4c(c3)OCO4)C2)n[nH]c1=O 67965177 HZPMXRIQRVPTHV-CQSZACIVSA-N 372.425 1.659 0 50 FDAA CN1CCN(c2cc(N3Cc4cnc(C(C)(C)C)nc4C3)nc(N)n2)CC1 67856237 WWXPWYMPKBFMDQ-UHFFFAOYSA-N 368.489 1.418 0 50 FDAA CC(C)[C@@H]1CN(C(=O)Cn2cnnn2)CCC(=O)N1Cc1ccc(F)cc1 71479696 ZQEJCTCWWZNBMH-INIZCTEOSA-N 374.420 1.098 0 50 FDAA COc1ccc(-n2ccnc2CN2CCC(NS(C)(=O)=O)CC2)cc1 65382520 YVRQBNMFLSRCHB-UHFFFAOYSA-N 364.471 1.395 0 50 FDAA COc1cccc2c1OC[C@@H](C(=O)N1CCc3c(nc(C)[nH]c3=O)C1)C2 72158028 DYBMARCUNVECGL-ZDUSSCGKSA-N 355.394 1.223 0 50 FDAA CN1C[C@@H](CC(=O)N2CCOCC2)Oc2ccc(C(=O)N3CCCC3)cc21 77438154 WUZJDQBJJMDMDU-MRXNPFEDSA-N 373.453 1.369 0 50 FDAA Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCCN(C(=O)c2cc[nH]c2)C1 77487051 UQDPPKZPQPLUFQ-HNNXBMFYSA-N 372.473 1.120 0 50 FDAA CCCCn1c(CN2C[C@H]3C(=O)NC[C@@]3(C(=O)O)C2)nc2ccccc21 72425157 JPDUCYUPYVZFIO-ORAYPTAESA-N 356.426 1.469 0 50 FDAA CCc1c(C)nn(CC(=O)N2CCc3c(nc(C)nc3N(C)C)C2)c1C 71771237 MMLXHDMARTUKJK-UHFFFAOYSA-N 356.474 1.812 0 50 FDAA Cn1c(CO)nnc1[C@H]1CCCN(Cc2cnc(-c3ccccn3)nc2)C1 216068684 MSLXMTVHOZDWOP-HNNXBMFYSA-N 365.441 1.539 0 50 FDAA CCOc1ccc(CN2CCN(c3ccnc(N)n3)C[C@@H]2CCO)cc1 72421061 PCMSWLKIBWWJET-INIZCTEOSA-N 357.458 1.531 0 50 FDAA COc1ccc(CN2CCN(Cc3cc(C)n[nH]3)C[C@H]2CCO)c(F)c1 39478434 IKQUAJQDTFDXED-QGZVFWFLSA-N 362.449 1.935 0 50 FDAA Cc1nc2n(n1)C[C@H](NC(=O)NCc1ccccc1-n1ccnc1)CC2 171051105 VVXUPIWIAHAVHG-OAHLLOKOSA-N 351.414 1.586 0 50 FDAA CCNc1ncc(C(=O)N2CCN(c3ccc(C(=O)OC)cc3)CC2)cn1 77393286 FIZSSUKFDNHXAI-UHFFFAOYSA-N 369.425 1.657 0 50 FDAA CS(=O)(=O)NCCC(=O)N1CCc2onc(-c3ccccc3F)c2C1 71315003 LXRRCEKWOVILKB-UHFFFAOYSA-N 367.402 1.305 0 50 FDAA O=C([C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1)N1CC(O)C1 71575167 BSJRKEJHGHVDPP-IBGZPJMESA-N 371.525 1.609 0 50 FDAA C[C@H]1CN(CC(=O)N2CCC(C(N)=O)CC2)Cc2cc(Cl)ccc2O1 14966902 OVJHQDNOIJCKTE-LBPRGKRZSA-N 365.861 1.647 0 50 FDAA Cc1nn(CC(=O)N[C@H]2CC(=O)N(CC(C)(C)C)C2)c(=O)c2ccccc12 14958990 DJGBPVMFKFHJIK-AWEZNQCLSA-N 370.453 1.468 0 50 FDAA Cc1nn(CC(=O)N[C@@H]2CC(=O)N(CC(C)(C)C)C2)c(=O)c2ccccc12 14958994 DJGBPVMFKFHJIK-CQSZACIVSA-N 370.453 1.468 0 50 FDAA O=C(NCCc1csc(-c2cccnc2)n1)[C@H]1NCCc2[nH]cnc21 72438554 GQXCRKHCZMDERZ-HNNXBMFYSA-N 354.439 1.474 0 50 FDAA O=C(O)C[C@@H]1CN(C(=O)CSc2ccc(C(F)(F)F)cn2)CCO1 262708535 DVYHFDIEUZOFLO-SNVBAGLBSA-N 364.345 1.895 0 50 FDAA CCc1ccc(CN2CCN(CC=C(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)nc1 72457338 DIUFVEVKTVUADJ-MOPGFXCFSA-N 363.527 1.893 0 50 FDAA CNCCN1C(=O)CC[C@H]2CN(C(=O)c3cccc(N(C)C)c3)CC[C@H]21 77503979 YUXSZBABJAJOCF-FUHWJXTLSA-N 358.486 1.425 0 50 FDAA O=C(CCn1c(S)nc2ccccc2c1=O)N[C@H]1CC[C@@H](CO)CC1 130971116 HXDKRSFGVRIALI-JOCQHMNTSA-N 361.467 1.743 0 50 FDAA COC(=O)c1ccc(C(=O)N2CCC([C@@H](C)N3CCN(C)CC3)CC2)cc1 82097120 OBEFADGORQDRHE-MRXNPFEDSA-N 373.497 1.961 0 50 FDAA Cc1nc(CNC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)no1 173562076 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Cc1n[nH]c(C)c1NC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 363500841 WIEHHTKAWKGRQD-ZDUSSCGKSA-N 356.382 1.789 0 50 FDAA CCc1cnc(N2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)nc1 71759984 NXMNRJCGYHLFNI-INIZCTEOSA-N 357.502 1.998 0 50 FDAA COc1ccc(CN2CCN(C(=O)c3ccc(CO)cc3)CC2=O)cc1 77419501 DHAXFDCORDOGLP-UHFFFAOYSA-N 354.406 1.672 0 50 FDAA COc1ccc(CN(C)C(=O)[C@@H]2CCC(=O)NC(=O)N2)c2cccnc12 216018471 PDCCCSTWSLBASD-ZDUSSCGKSA-N 356.382 1.190 0 50 FDAA COCc1cc(CN(C)c2nccc(-c3cc(C(=O)O)ccn3)n2)n[nH]1 77376086 QTHCFZOPIHQMGZ-UHFFFAOYSA-N 354.370 1.743 0 50 FDAA COc1cccc2c1OC[C@H](C(=O)N1CCN(c3ccncc3)CC1)C2 76196112 OIWXUSSTUGFNED-MRXNPFEDSA-N 353.422 1.990 0 50 FDAA CN1CCC[C@H](C(=O)N2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)C1 72142112 AMLRGYWSQNTUHY-ZDUSSCGKSA-N 353.426 1.058 0 50 FDAA O=C(CN1CCC(NC(=O)c2cccc(-c3ncc[nH]3)c2)CC1)NC1CC1 216538616 PITFNUKEHGSRIH-UHFFFAOYSA-N 367.453 1.550 0 50 FDAA NCCNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2-n2cncn2)C1 261912829 JMDIIEUIKHVNHH-CQSZACIVSA-N 362.865 1.208 0 50 FDAA C[C@H](NC(=O)C1(N)Cc2ccccc2C1)c1ccc(S(C)(=O)=O)cc1 370799649 FPBLOTRYHGJGHI-ZDUSSCGKSA-N 358.463 1.764 0 50 FDAA Cc1c(S(=O)(=O)N2CCN(CC(F)(F)F)C[C@H](C)C2)cnn1C 331642008 NFJMJDXLKSAXIZ-JTQLQIEISA-N 354.398 1.233 0 50 FDAA O=C(c1ccccc1-c1nnn[nH]1)N1CCN(Cc2cccc(F)c2)CC1 72447736 XNCUIVROZJBPPO-UHFFFAOYSA-N 366.400 1.964 0 50 FDAA O=C(C[C@H]1COCCN1C(=O)/C=C/c1ccccc1)N1CCSCC1 72435881 DFHVRBOXWZCCTN-LXXRFIIISA-N 360.479 1.893 0 50 FDAA O=C(NCCn1ccnc1-c1cc2n(n1)CCCNC2)c1ccc(F)cc1 72435845 UIYZYMUUEVDCQO-UHFFFAOYSA-N 368.416 1.809 0 50 FDAA O=S(=O)(c1ccc(Cl)s1)N1CC[C@H]2NCCC[C@]2(CO)C1 72163616 DFPBYCYOIIASRE-ZWNOBZJWSA-N 350.893 1.527 0 50 FDAA CCN(CC)C[C@@H]1CCN(S(=O)(=O)c2ccccc2S(C)(=O)=O)C1 173919213 UIQXMQUPECMTHU-AWEZNQCLSA-N 374.528 1.443 0 50 FDAA Cc1cccc(C(=O)N[C@@H]2CCOC[C@H]2OCC(=O)N(C)C)c1Cl 223093294 OTAFQJPOIDDOIG-ZIAGYGMSSA-N 354.834 1.641 0 50 FDAA C[C@H](c1ccccc1)[C@](C)(O)C(=O)NCC1CCN(S(C)(=O)=O)CC1 176165032 XFWCBZZZDRZFJR-KDOFPFPSSA-N 368.499 1.329 0 50 FDAA Cc1cc(C)n(CC(=O)N2CCN(c3cccc(Cl)c3)C(=O)C2)c(=O)n1 82106175 PVJOEAYLXQDMED-UHFFFAOYSA-N 374.828 1.389 0 50 FDAA O=C(Cn1nccc1[C@@H]1CCCNC1)NCCc1cn2ccsc2n1 426551807 MDKFKIPFEWWCTM-CYBMUJFWSA-N 358.471 1.418 0 50 FDAA Cc1cccnc1CN1CCN(C(=O)CC2=CSC3=NCCN23)CC1 221386207 ZFYDXUMEETVFAI-UHFFFAOYSA-N 357.483 1.684 0 50 FDAA Cc1nc(N(C)C)ncc1C(=O)N(Cc1ccncc1)C1CCN(C)CC1 97527372 WFQFENVSGYAPKT-UHFFFAOYSA-N 368.485 1.983 0 50 FDAA CC(C)n1cnnc1CCNC(=O)c1cccc(-c2cnc(N)cn2)c1 426581254 NVOWQEWGBGQFFO-UHFFFAOYSA-N 351.414 1.871 0 50 FDAA CCc1nnc(CNC(=O)c2cnn3c(C(F)(F)F)cc(C)nc23)o1 426377876 DIFQBXQOURGEGZ-UHFFFAOYSA-N 354.292 1.932 0 50 FDAA CCNC(=O)[C@@H](C)N1CCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)CC1 91694337 JXRDHIFXULASCI-MRXNPFEDSA-N 373.501 1.514 0 50 FDAA CCn1c(Cn2cccn2)nnc1C1CCN(C(=O)c2cc(C)on2)CC1 91320494 WFMXCHOSJPGNER-UHFFFAOYSA-N 369.429 1.859 0 50 FDAA O=S1(=O)CC[C@@H](n2nc(-c3cccnc3)nc2CCc2cccnc2)C1 95372767 JDKVLVDHIQUYEG-MRXNPFEDSA-N 369.450 1.880 0 50 FDAA CNC(=O)c1ccc(Cl)c(NC(=O)N[C@H]2CN(C(C)C)C[C@@H]2OC)c1 95508675 MEERJLIBZPSTDC-GJZGRUSLSA-N 368.865 1.929 0 50 FDAA CCCN1C[C@H](NC(=O)c2cc(=O)cc(C)o2)C[C@H]1C(=O)N(CC)CC 95508066 OZRVIJSFCUKVGT-ZBFHGGJFSA-N 363.458 1.399 0 50 FDAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(C(=O)C1(c3ccccc3F)CC1)CC2 95362664 GLKIOFVKCAOUMT-AWEZNQCLSA-N 374.412 1.781 0 50 FDAA Cc1ccc(C)c(NC(=O)CN2CCC[C@]3(CCC(=O)N(CCO)C3)C2)c1 244678665 IHUKYLYVNNJAEZ-NRFANRHFSA-N 373.497 1.939 0 50 FDAA CC(=O)N[C@H]1C[C@H](c2nnc(CNCCC34CCCN3CCC4)n2C)C1 244691638 JGKMPVPNYQNOPH-WKILWMFISA-N 360.506 1.305 0 50 FDAA O=C1NCC2(CCN(C(=O)C[C@H]3CN(Cc4ccccc4)CCO3)CC2)O1 244734618 NIZAMOONRZEKQD-KRWDZBQOSA-N 373.453 1.379 0 50 FDAA Cc1nc(C)c2c(n1)O[C@@H](CN1CCCN(C(=O)c3ccco3)CC1)C2 244659734 HHXJFLJFQXZEIW-OAHLLOKOSA-N 356.426 1.838 0 50 FDAA COc1cc2c(cc1OC)CN(Cc1nnc([C@H]3C[C@H](N)C3)n1C)CC2 253393928 VJYKRVSYWUKENY-CTYIDZIISA-N 357.458 1.595 0 50 FDAA CC(=O)N1CSC[C@@H]1C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)O 299753467 YHRQDTAXSFBUOG-LSDHHAIUSA-N 350.440 1.276 0 50 FDAA CN1C(=O)CC[C@H](C(=O)NCc2cccc(C(=O)O)c2)[C@@H]1c1cnn(C)c1 299739746 ANVYMGTZDCYVTG-RDJZCZTQSA-N 370.409 1.344 0 50 FDAA Cc1nc([C@@H]2CCCN(C(=O)c3ccc4c(=O)n(C)cnc4c3)C2)no1 299757176 IUPAURNOTHXSDO-CYBMUJFWSA-N 353.382 1.645 0 50 FDAA NCCCOc1ccc(C(=O)N2CCNC(=O)[C@@H]2c2cccc(F)c2)cc1 299780464 BFLAGZKADJYNQK-SFHVURJKSA-N 371.412 1.867 0 50 FDAA O[C@@H]1CN(Cc2cnc(-c3ccco3)nc2)CC[C@H]1Nc1ncccn1 299761942 ZNZJKEKSZJFALM-HUUCEWRRSA-N 352.398 1.574 0 50 FDAA Nc1nc(CCC(=O)N2CCC(c3cc(CC(=O)O)n[nH]3)CC2)cs1 299778125 GOACCPMQRDHTEL-UHFFFAOYSA-N 363.443 1.414 0 50 FDAA O=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@@H]1c2ccccc2C[C@@H]1O 270578154 WJIMRWNILZMTCV-GOEBONIOSA-N 357.410 1.016 0 50 FDAA O=S1(=O)CC[C@@H](Cc2nc(-c3cccc(OCC(F)F)n3)no2)C1 273970024 XJKIBJDGJPYQKS-VIFPVBQESA-N 359.354 1.753 0 50 FDAA Cn1cc(N2CCN(S(=O)(=O)c3ccc4ncsc4c3)CC2)cn1 274643212 BAQFBMVWGKKGFA-UHFFFAOYSA-N 363.468 1.541 0 50 FDAA CN(Cc1nccc(N)n1)[C@H]1CCN(C(=O)[C@H]2OCCc3ccccc32)C1 275823141 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O=C(NCc1cccc(F)c1F)c1cc(CN2CCC[C@@H](O)C2)on1 12432086 CSZFXQRIKHNUKY-GFCCVEGCSA-N 351.353 1.840 0 50 FDAA O=C(NCCc1nc(-c2ccccc2)no1)[C@@H]1CCC(=O)N(C2CC2)C1 12456093 PADRZYLVTAQQHE-CQSZACIVSA-N 354.410 1.796 0 50 FDAA COCCCN1C(=O)C[C@@](CC(=O)NCC(C)C)(c2ccccc2)C1=O 14880206 FYMFAZDDCLXSSJ-FQEVSTJZSA-N 360.454 1.882 0 50 FDAA O=C(N[C@@H]1OCCO[C@H]1NC(=O)c1ccccc1F)c1ccccc1F 16511853 CAFAYFYTASYFFS-QZTJIDSGSA-N 362.332 1.824 0 50 FDAA Cc1nn[nH]c1C(=O)N1CCC2(CC1)OCCc1sc(C(=O)O)cc12 1857691158 XCVASOOTYORUGK-UHFFFAOYSA-N 362.411 1.577 0 50 FDAA NCC(=O)N1CCCC(=O)N2CCCC[C@H]2CCc2cccc(c2)OCC1 1857697849 OXTOLLZFZNIULD-SFHVURJKSA-N 373.497 1.960 0 50 FDAA O=C([C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1)N(CCO)CCO 1857700806 MGKWCSLLCDOFPE-GFCCVEGCSA-N 367.833 1.511 0 50 FDAA CN1CCCc2ccc(S(=O)(=O)NC[C@H]3CCc4nccn4C3)cc21 328615097 AQORQSAALFMDAY-CQSZACIVSA-N 360.483 1.806 0 50 FDAA Cc1nn(-c2ccc(C(=O)N3CCOCC3)cc2)c(C)c1CCC(=O)O 237660125 AZFJZVQYZGFVRF-UHFFFAOYSA-N 357.410 1.979 0 50 FDAA O=C(O)CC[C@H]1CCCN(C(=O)c2c[nH]c(=O)c(Br)c2)C1 238004674 QTGLHEZNJKSCNM-SECBINFHSA-N 357.204 1.854 0 50 FDAA CN(C(=O)c1cccs1)c1ccccc1C(=O)N1CC[C@H](CO)[C@H](O)C1 546693288 CXRBYDYQVMPYPY-CZUORRHYSA-N 374.462 1.840 0 50 FDAA Cc1nc(SCC(=O)Nc2ccc3c(c2)OCO3)[nH]c(=O)c1CCO 11905761 QTSXOFTUQJJVHC-UHFFFAOYSA-N 363.395 1.073 0 50 FDAA COc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)ccn1 247870302 CUMITJWFMPVNDQ-HIFRSBDPSA-N 372.450 1.810 0 50 FDAA Cc1ccnc2nc(C(=O)N=c3nc(-c4ccccc4Cl)[nH]n3C)nn12 365979882 FGKYHKBESDYATL-UHFFFAOYSA-N 368.788 1.556 0 50 FDAA Cc1ccc(CNC(=O)C2CCN(C(=O)C3(C(=O)O)CC3)CC2)cc1F 154799981 MSXNXAROIDZZJY-UHFFFAOYSA-N 362.401 1.854 0 50 FDAA COc1nc(NCC(C)(C)[C@@H]2COCC23OCCO3)ccc1C(=O)O 844216699 UESGHZLUIHVDJV-LBPRGKRZSA-N 352.387 1.616 0 50 FDAA Cc1ccc(N2CC[C@@H](NC(=O)[C@@H]3COc4ccc(O)cc4O3)C2=O)cc1 866064757 BPRVEODUURDENM-QAPCUYQASA-N 368.389 1.762 0 50 FDAA Cc1nc([C@@H]2CCO[C@@H]2CN(C)C(=O)COCc2ccccc2C)n[nH]1 952886193 JAWWKXDOCSQVEE-IAGOWNOFSA-N 358.442 1.969 0 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1.724 0 50 FDAA COc1cccc([C@H](O)CNC(=O)CCn2nc(C)c(C(C)=O)c2C)n1 2356158333 HWKSOBMOEDYMKU-OAHLLOKOSA-N 360.414 1.346 0 50 FDAA CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 4117655 AGHAPAFOMGHXMT-ROUUACIJSA-N 370.405 1.252 0 50 FDAA CCc1noc(CN(C)C[C@H]2[C@@H]3CN(C(=O)c4c(C)noc4C)C[C@H]23)n1 102127223 FMEQNAQSBIEVLB-ZSOGYDGISA-N 359.430 1.687 0 50 FDAA Cc1nn(C)cc1CN1CCC(N2CCC[C@H](C(=O)NC3CC3)C2)CC1 67654857 HENWKIVTEDODGK-INIZCTEOSA-N 359.518 1.684 0 50 FDAA CC(C)Cc1cc(C(=O)N2CCCN(C)C3(CCN(C)CC3)C2)nc(N)n1 67880769 VAHWUDDHVWGPKZ-UHFFFAOYSA-N 374.533 1.499 0 50 FDAA Cc1nc[nH]c1CN1CCn2nc(C(=O)NCc3ccccn3)cc2C1 67769595 BOHYZSVXAIKADJ-UHFFFAOYSA-N 351.414 1.255 0 50 FDAA c1cnc(-c2nc(CNc3cc(N4CCOCC4)ncn3)cs2)nc1 65508378 VHUJSMGFILKFPY-UHFFFAOYSA-N 355.427 1.839 0 50 FDAA CC(C)CN1C[C@@H](CN2CCN(C)CC2)C[C@@H](C(=O)N2CCCCC2)C1 23354265 GKPJMAWKFCAXEM-WOJBJXKFSA-N 364.578 1.840 0 50 FDAA O=C(CCSc1ccc2c(c1)OCCO2)N1CCC(O)(CO)CC1 67805367 VBGPFWJXHZXALS-UHFFFAOYSA-N 353.440 1.286 0 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COCCN1CC[C@@H](NC(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 363128430 QJHWLXIKRRXAEH-GDBMZVCRSA-N 365.861 1.530 0 50 FDAA CS(=O)(=O)N1CCO[C@@H](CNC(=O)CCCc2ccc(Cl)cc2)C1 77392949 CNTIDTWSVWZVRQ-HNNXBMFYSA-N 374.890 1.439 0 50 FDAA CCCN(C)C(=O)C[C@H]1COCCN1C(=O)COc1ccccc1OC 72463304 FOQFGQXPQKPSSX-HNNXBMFYSA-N 364.442 1.560 0 50 FDAA Cc1ccccc1OC[C@@H](O)C(=O)NCc1cccc(-c2nnn[nH]2)c1 218804305 OCQSTGVWSMFULF-OAHLLOKOSA-N 353.382 1.231 0 50 FDAA COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)O)[C@@H]21 216626368 AGXGSNYQLWDOEM-QGZVFWFLSA-N 368.345 1.903 0 50 FDAA biogenic CN1CCN(C(=O)C2=Cc3cc(F)ccc3OC2)C[C@H]1c1nccn1C 369522724 ZAQQTFIFHYERPN-INIZCTEOSA-N 356.401 1.850 0 50 FDAA CCCn1c(=O)n(CCC(=O)N2CC[C@@](C)(C(=O)O)C2)c2ccccc21 237014415 WOQKEHXJJWCXNS-LJQANCHMSA-N 359.426 1.926 0 50 FDAA Cc1cc(I)cn(Cc2nnnn2C2CC2)c1=O 157241306 ZVVPIUJVRSIRSU-UHFFFAOYSA-N 357.155 1.131 0 50 FDAA CN(Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)[C@H]1CC2(CCNCC2)CN1 72168437 XRMYFYNRQDDINF-QGZVFWFLSA-N 371.460 1.906 0 50 FDAA CC(C)O[C@H]1CN(c2nc(-c3ccncc3)nc3c2cnn3C)C[C@@H]1O 72151923 PVVOHAROKFPXGS-GJZGRUSLSA-N 354.414 1.400 0 50 FDAA Cc1cc(C)n(-c2cncc(N3CCN(C)[C@@H](c4nccn4C)C3)n2)n1 373678878 CUEXIEMEBAGKFP-OAHLLOKOSA-N 352.446 1.506 0 50 FDAA CCOC(=O)N1CCC(NC[C@@]2(O)CCCN(CC(C)(C)C)C2=O)CC1 14967303 WAGBEKOQKXPVHG-IBGZPJMESA-N 369.506 1.597 0 50 FDAA O=C1NC[C@]2(CCCN(C(=O)CCCc3nc(-c4cccnc4)no3)C2)O1 219767941 BEJWGAMIMHPFDC-SFHVURJKSA-N 371.397 1.555 0 50 FDAA COC(=O)c1ccc(-c2noc(CN3C[C@H](O)[C@@H](N4CCCC4)C3)n2)cc1 72145351 TZVACKKISWJQBU-HOTGVXAUSA-N 372.425 1.164 0 50 FDAA CCN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1 72143745 IWUQETLGUOYSOT-AWEZNQCLSA-N 357.376 1.874 0 50 FDAA CSCCC(=O)N1CCC(c2nnc(CN3CCOCC3)n2C)CC1 77427324 QWANNAFISZEREE-UHFFFAOYSA-N 367.519 1.106 0 50 FDAA CN(C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)C(=O)COc1cccnc1 285360632 VBPQDSAAVWCITB-HNAYVOBHSA-N 357.458 1.735 0 50 FDAA CN(C)C(=O)C[C@H](O)c1cc2n(n1)CCN(Cc1cccc(C(=O)O)c1)C2 221292024 QLWVMMKIVVCDLT-KRWDZBQOSA-N 372.425 1.109 0 50 FDAA Cc1nnc2n1C[C@H](C(=O)O)N(C(=O)Cc1csc3ccccc13)C2 263423574 LTLXKXCBACRWIL-CYBMUJFWSA-N 356.407 1.839 0 50 FDAA COc1nc(C)cc(C)c1CN1CCS(=O)(=O)C[C@H]1c1cnn(C)c1 287804246 ORYIGCVKSNGKFS-INIZCTEOSA-N 364.471 1.412 0 50 FDAA COC(=O)c1ccccc1-c1ccc(C(=O)NC[C@@H]2CNCCO2)cc1 426538438 RYNRREIPXNVCTD-INIZCTEOSA-N 354.406 1.858 0 50 FDAA CN(C)Cc1nc(C(=O)N2CCn3nc([C@@H](O)C4CC4)cc3C2)cs1 223363436 BQYGJAFFTVIJJD-INIZCTEOSA-N 361.471 1.501 0 50 FDAA COCc1ccc(C(=O)N[C@@H]2CCN(Cc3cscn3)C[C@H]2O)cc1 426634122 YDAVXRKYQGBZNG-IAGOWNOFSA-N 361.467 1.655 0 50 FDAA O=C(NCc1cc2n(n1)CCCNC2)[C@@H]1CCCN(c2ccccn2)C1 82127353 YSEHISYNKUELFM-OAHLLOKOSA-N 354.458 1.304 0 50 FDAA O=C(CN1CCc2ccccc2C1)NCCc1nc(-c2cccnc2)no1 223705478 XDUMONGWNJORFS-UHFFFAOYSA-N 363.421 1.849 0 50 FDAA CNC(=O)Cc1ccc(-c2cccc(C(=O)NC[C@]3(O)CCNC3)c2)cc1 426628932 YSBANMSZHPQZOP-NRFANRHFSA-N 367.449 1.096 0 50 FDAA C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 239433386 XPIDJFNFPXORRP-MRVWCRGKSA-N 356.378 1.736 0 50 FDAA CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)N(C(=O)c1n[nH]c3ccccc13)C2 91410422 VHGNCHQCXIPWSV-UONOGXRCSA-N 355.442 1.188 0 50 FDAA O=C(c1ccc[nH]1)N1CCN(Cc2cc(=O)c3cc(F)ccc3[nH]2)CC1 91933977 BVQJYRPEVGCMMD-UHFFFAOYSA-N 354.385 1.953 0 50 FDAA O=C(NCc1cnn(Cc2ccccc2)c1)N1CCN2C(=O)OC[C@@H]2C1 426475584 WLWLPJNJDGPAMH-INIZCTEOSA-N 355.398 1.277 0 50 FDAA Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2cnccn2)C3)cc1O 91562735 QEKPKVRCRUBDJA-GOEBONIOSA-N 366.421 1.867 0 50 FDAA Cc1oncc1S(=O)(=O)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 95374283 LPMDJRZDBCYJAJ-KRWDZBQOSA-N 367.471 1.786 0 50 FDAA Cc1cccc2[nH]c([C@@H]3CCCN(C(=O)CCn4nnnc4C)C3)nc12 91637130 QEOMCHJYKYTATB-CQSZACIVSA-N 353.430 1.963 0 50 FDAA O=C(O)Cn1nccc1[C@@H]1CCCN(C(=O)Cn2nc3ccccc3n2)C1 426445201 ZSHWQSSCZSZXME-CYBMUJFWSA-N 368.397 1.119 0 50 FDAA Cc1nn(CC(=O)N(C)CCc2noc(C3CC3)n2)c(=O)c2ccccc12 91519120 GFHCQJIJOQNZSC-UHFFFAOYSA-N 367.409 1.666 0 50 FDAA Cc1cccc2cc(C(=O)N3CC[C@]4(CCCN(CCO)C4=O)C3)n(C)c12 91691708 VRBPMUKHFAUTAJ-OAQYLSRUSA-N 369.465 1.934 0 50 FDAA CC(=O)c1cc(CC(=O)N2CC[C@@]3(CCCN(CCO)C3=O)C2)cs1 91586785 LEKKHGCDLHXFEJ-SFHVURJKSA-N 364.467 1.327 0 50 FDAA Cc1cc(C)c(C(=O)NC[C@@H](c2cccnc2)N2CCOCC2)c(=O)[nH]1 92061812 CGZCJNIWTCKFGF-INIZCTEOSA-N 356.426 1.190 0 50 FDAA CC1(C)Cc2nc(C(C)(C)C)ncc2[C@H](NC(=O)c2cc(=O)[nH]c(=O)[nH]2)C1 92038888 VLOJRBSPXGMRIO-GFCCVEGCSA-N 371.441 1.594 0 50 FDAA COc1cc(-c2cn(Cc3nnc4ccccn34)nn2)cc2c1OCO2 95365502 ZAOFIZKRANLRHO-UHFFFAOYSA-N 350.338 1.773 0 50 FDAA O=S1(=O)CCC(c2nc(Cn3cncn3)nn2Cc2ccccc2)CC1 96137925 KTLWRQDMZOMSQS-UHFFFAOYSA-N 372.454 1.258 0 50 FDAA CN1CCC(Oc2ccc(NC(=O)N[C@H]3C=CS(=O)(=O)C3)cc2)CC1 96151697 KMVANYWLKDKPFQ-AWEZNQCLSA-N 365.455 1.592 0 50 FDAA Cc1nn(C(C)(C)C)cc1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 183319760 NZAHXQIFKOUBHY-UHFFFAOYSA-N 374.445 1.254 0 50 FDAA CCn1ccc(C(=O)N[C@H]2C[C@@H](c3cc(O)nc(N4CCCC4)n3)C2)n1 253535553 CFNPLHOGVKLBGV-BETUJISGSA-N 356.430 1.675 0 50 FDAA Cc1noc(C)c1COc1cccc(C(=O)N2CCOC[C@@H]2C(=O)O)c1 299749299 JWHAOFDDXSNEDD-MRXNPFEDSA-N 360.366 1.796 0 50 FDAA CCn1ncnc1[C@H](C)NC(=O)N1CCCN(C(=O)c2ccoc2)CC1 534670955 WPQNPYPEBWCWGC-ZDUSSCGKSA-N 360.418 1.510 0 50 FDAA COc1ccc2nc(O)c(CN3CC[C@H]4OCc5cnnn5[C@H]4C3)cc2c1 299757733 ATQSGCMQMZFGBL-ZWKOTPCHSA-N 367.409 1.886 0 50 FDAA CC(=O)c1cc(CC(=O)NC[C@H]2CCCN(S(C)(=O)=O)C2)cs1 299792305 FMPAOOCLWAJLBV-GFCCVEGCSA-N 358.485 1.281 0 50 FDAA CN1CCN(CC2(CNC(=O)CN(C)Cc3ccccc3F)CC2)CC1 299771901 XRKLVNZISXGKBC-UHFFFAOYSA-N 362.493 1.401 0 50 FDAA CC1(C)SC[C@@H](C(=O)NCc2nc(C3CCCCC3)no2)NC1=O 299763314 ZWEKNEMCLJWKKX-NSHDSACASA-N 352.460 1.744 0 50 FDAA Cn1nc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)cc1C(F)(F)F 299776310 NFGKRIYDRHVLKF-WDEREUQCSA-N 356.308 1.016 0 50 FDAA Cc1ncc(CC(=O)N2C[C@@H]3CC[C@H]2CN(Cc2[nH]cnc2C)C3)c(O)n1 1073302334 XPCCLQQOYCBOMK-ZBFHGGJFSA-N 370.457 1.188 0 50 FDAA Cc1nn(CC(F)(F)F)cc1C(=O)N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 1333104016 KRSGPZMKVLQCSQ-WDEREUQCSA-N 365.377 1.261 0 50 FDAA Cn1c([C@H]2CCCN2C(=O)[C@@H]2CCCN(CC(N)=O)C2)nc2ccccc21 952975683 JXQKZJQCPLQVSX-RHSMWYFYSA-N 369.469 1.434 0 50 FDAA C[C@H]1Oc2ccc(NC(=O)c3cccc(OCC(N)=O)c3)cc2N(C)C1=O 952988842 LEYQYMYQAAASIP-LLVKDONJSA-N 369.377 1.547 0 50 FDAA Cc1nc(CN2CC[C@H](NC(=O)Cc3ccccc3F)[C@@H](O)C2)cs1 1565515829 DPSIEHXAAZKYQY-IRXDYDNUSA-N 363.458 1.885 0 50 FDAA CCn1nccc1S(=O)(=O)N[C@H]1CCOC[C@@H]1OCc1cscn1 1565515005 OGILSUGXUPYMFI-STQMWFEESA-N 372.472 1.012 0 50 FDAA CN1CCN(c2cc(NC[C@H](c3ccco3)N3CCCC3)ncn2)CC1=O 274344863 JBHZBRGYBNCUCP-OAHLLOKOSA-N 370.457 1.597 0 50 FDAA CCc1nnc([C@H]2CN(S(=O)(=O)CCc3ccccc3)CCO2)o1 275215151 BJGBIKFFHXMKCB-CQSZACIVSA-N 351.428 1.578 0 50 FDAA CN1C[C@H](C(=O)N2CCC3(CC2)C[C@@H]3N(C)Cc2nccs2)CC1=O 275631349 JPBWRSYPJOXYLL-KGLIPLIRSA-N 362.499 1.434 0 50 FDAA C[C@H](C(=O)NCc1cccc(C(=O)O)c1)N1C(=O)c2ccccc2C1=O 170534421 BVDALKZHIRSILR-LLVKDONJSA-N 352.346 1.686 0 50 FDAA Nc1ncc2c(n1)CCN(C(=O)COc1cccc(N3CCCC3=O)c1)C2 170610123 CFRBCTXROCJMKO-UHFFFAOYSA-N 367.409 1.149 0 50 FDAA O=C(N[C@H]1COC[C@@H]1Cc1ccncc1)C1(N2CCOCC2)CCCCC1 1615735155 PEECYGNIMSPXOV-OALUTQOASA-N 373.497 1.790 0 50 FDAA Cc1cc(C)n(-c2ccccc2CN2C[C@H](O)[C@@H](N3CCOCC3)C2)n1 1506418609 TXHHXUWEBIBCDF-PMACEKPBSA-N 356.470 1.366 0 50 FDAA Cc1cc(C[C@@H]2CN(C(=O)c3cc(=O)c4ccccc4o3)C[C@@H]2O)n[nH]1 1529178198 KKEAFZMCJQLXTK-WBMJQRKESA-N 353.378 1.500 0 50 FDAA Cc1cc2cccc(C(=O)N[C@@H]3COC[C@H]3CS(=O)(=O)N(C)C)c2o1 1704297555 CDFYWQJXAYYKIS-DZGCQCFKSA-N 366.439 1.377 0 50 FDAA CCCN1C[C@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)N1CCCCCC1 12204857 BEPFMGOSDJTTFC-ZBFHGGJFSA-N 363.462 1.493 0 50 FDAA Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@@H]2CCC(=O)N(C3CC3)C2)n1 12298681 AHWLVCQTPMCJAU-LLVKDONJSA-N 370.375 1.864 0 50 FDAA O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 169876287 BFWMWWXRWVJXSE-UHFFFAOYSA-M 367.036 1.646 0 50 FDAA endogenous,in-man CN1CCO[C@H](C(=O)N2CCc3nn(C)c(-c4ccccc4)c3CC2)C1 1857709462 YURIYOJRRRSOKR-SFHVURJKSA-N 354.454 1.345 0 50 FDAA O=C(Cc1ccccc1)N1CCN(S(=O)(=O)N2CCCCC2)CC1 2888864 YAKBOXGUHAACFA-UHFFFAOYSA-N 351.472 1.104 0 50 FDAA CN(CC(=O)O)C[C@@H]1CN(C(=O)c2cnc(C(C)(C)C)s2)CCO1 328602952 DIXAZLCZRMEPMM-LLVKDONJSA-N 355.460 1.298 0 50 FDAA CC(=O)N[C@@H]1CCN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)C1 331967329 LGRGNXZHHSSYRH-SNVBAGLBSA-N 360.819 1.010 0 50 FDAA CCn1cc(C(=O)N(Cc2nccn2CC)[C@@H]2CC23CCNCC3)cn1 261646833 DRMUBYKTMIOLBD-MRXNPFEDSA-N 356.474 1.904 0 50 FDAA CN1C[C@H]2CN(C(=O)c3ccccc3Oc3cnn(C)c3)CCN2C1=O 374603979 TVSLNAWBULRPKQ-ZDUSSCGKSA-N 355.398 1.404 0 50 FDAA O=C(O)c1cc(NS(=O)(=O)N2CCOCC2)cc(C(F)(F)F)c1 265625825 YWHCNANPRQZXOM-UHFFFAOYSA-N 354.306 1.393 0 50 FDAA COCCN1CC[C@H](NC(=O)[C@@]2(C)CCCN(C(=O)c3ccccc3)C2)C1 266079653 GJHCGNOQQCPIPM-RXVVDRJESA-N 373.497 1.766 0 50 FDAA COC[C@H]1CCN(S(=O)(=O)c2c(O)cccc2OC(F)(F)F)C1 914166846 ULXVUCOPFJSZGM-VIFPVBQESA-N 355.334 1.948 0 50 FDAA CNC(=O)[C@@H]1Cn2c(C)nnc2CN1C(=O)Cc1cccc(C2CC2)c1 818366428 BHTMPEKGTYQROS-INIZCTEOSA-N 353.426 1.163 0 50 FDAA CNC(=O)c1n[nH]c(C2CCN(C(=O)[C@H](C)c3ccccc3F)CC2)n1 818479099 OYJIAMSFSIYWQJ-LLVKDONJSA-N 359.405 1.813 0 50 FDAA 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CN(C)c1ncc(C(=O)N[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)cc1Cl 1875400764 LFJJEXLJUIHDON-NILFDRSVSA-N 363.849 1.567 0 50 FDAA Cn1cnc(-c2nnc3n2CCN(C[C@H](O)c2c(F)cccc2F)C3)c1 879582672 YDGBLPFOIQMJCA-AWEZNQCLSA-N 360.368 1.506 0 50 FDAA Cn1cnnc1C[C@@]1(O)CCCN(C(=O)c2c[nH]c(C(F)(F)F)c2)C1 886084683 ZMINWAITXWNSHG-AWEZNQCLSA-N 357.336 1.372 0 50 FDAA COCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl 1774763 RHEYYPCNGXYNMD-UHFFFAOYSA-N 363.805 1.183 0 50 FDAA C[C@H]1Cc2cc(CNC[C@H]3C[C@@H](O)CN3c3cc(N)ncn3)ccc2O1 2325785388 VPKYWZGBDDLGBY-APHBMKBZSA-N 355.442 1.112 0 50 FDAA COc1ccc([C@@H]2NC(=O)[C@@H]3CO[C@@H](C)CN3C2=O)cc1Br 2325801532 MIFALWHSVYKVOI-QWRKXWFKSA-N 369.215 1.245 0 50 FDAA O=C(CCc1cccc(O)n1)N[C@H](CO)[C@@H](O)c1ccc(Cl)cc1 2325868724 IDBUKMBZFSICJB-PBHICJAKSA-N 350.802 1.584 0 50 FDAA O=C1CC[C@H](Nc2ncnc3c2cnn3-c2cccc(Cl)c2)C(=O)N1 1857797819 XBEKLUZMDDLXRF-LBPRGKRZSA-N 356.773 1.686 0 50 FDAA COc1cccc2c1OC[C@H](C(=O)Nc1c(C)nn(-c3nn[nH]n3)c1C)C2 2356137648 UALCOIUKEFFVPM-GFCCVEGCSA-N 369.385 1.201 0 50 FDAA O=C(NCc1ccco1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 2836554 KJTPJNSZUVEWAA-AWEZNQCLSA-N 354.362 1.985 0 50 FDAA CC(=O)Nc1ccc(OC[C@@H](O)Cn2c(CO)nc3ccccc32)cc1 4385404 MLXBPVHHWNIVEX-HNNXBMFYSA-N 355.394 1.927 0 50 FDAA CS(=O)(=O)N(CC(=O)NCc1ccncc1)c1ccc(F)c(Cl)c1 4759501 MBWVVPYWVRDESG-UHFFFAOYSA-N 371.821 1.957 0 50 FDAA COCCN(Cc1cnn(C)c1)C(=O)CCn1cnc2ccccc2c1=O 55211993 AGDADZKJIBICSZ-UHFFFAOYSA-N 369.425 1.195 0 50 FDAA O=C(Cn1cnc2ccccc21)N1C[C@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1C2 102053943 IYHBOKXHIPPHMJ-INMHGKMJSA-N 352.438 1.896 0 50 FDAA O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CCN(c2ccccc2)CC1 100099627 MVEXZTWKTUIXCL-HDICACEKSA-N 367.449 1.677 0 50 FDAA O=S(=O)(NCCC1=CSC2=NCCCN12)NCc1ccccc1 102090197 WLGABVCGLMPOPK-UHFFFAOYSA-N 352.485 1.651 0 50 FDAA Cc1cc(C)cc(CCC(=O)NC[C@H]2CN(S(C)(=O)=O)CCO2)c1 65406400 OMJUVPXVPSIPKW-INIZCTEOSA-N 354.472 1.013 0 50 FDAA Cc1cc2[nH]cc(C(=O)N3CCCN(Cc4cccs4)CC3)c(=O)n2n1 101733822 IBHKWQYPFOHAFU-UHFFFAOYSA-N 371.466 1.741 0 50 FDAA Cc1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)nn1 65365855 ZVVNDIKWWDMOCF-UHFFFAOYSA-N 354.382 1.574 0 50 FDAA NC(=O)CNc1ccc(C(=O)N2CCCC[C@H]2CCn2cccn2)cn1 67967828 HIUVUVIUNGHYPB-HNNXBMFYSA-N 356.430 1.260 0 50 FDAA CN(C)c1nc2c(c(NCc3ccc(S(N)(=O)=O)cc3)n1)CCCC2 65380720 PHBVXSIEOPESIK-UHFFFAOYSA-N 361.471 1.681 0 50 FDAA Cc1ccc(C2(O)CCN(c3nccc(N4CC[C@@H](O)C4)n3)CC2)nc1 67490945 HPXPXJBNLJXGCQ-OAHLLOKOSA-N 355.442 1.239 0 50 FDAA Cn1nc([C@H]2CCCN(CC3CCNCC3)C2)n(-c2ccccc2)c1=O 67541120 FZHIEMGQWQJEFO-KRWDZBQOSA-N 355.486 1.750 0 50 FDAA Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1cc(N2CCOCC2)ccn1 279615634 HKQZKYKIBZXWOZ-AWEZNQCLSA-N 371.441 1.798 0 50 FDAA CCOCCn1c(=O)[nH]c2cc(C(=O)NCc3cnc(C)cn3)ccc21 77438214 WZCJTGVXPFPFCN-UHFFFAOYSA-N 355.398 1.395 0 50 FDAA COC(=O)c1n[nH]cc1CN1CCN(C(=O)c2ccccc2OC)CC1 72167951 IURNWWDHWVKDMA-UHFFFAOYSA-N 358.398 1.163 0 50 FDAA Cc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 72441777 ZXDQOPKROCUFPG-HUUCEWRRSA-N 353.488 1.691 0 50 FDAA O=C1OC2(CCN(C[C@H]3COCCO3)CC2)CN1CCc1ccccc1 77392607 BZQLNSZAWQODIO-SFHVURJKSA-N 360.454 1.931 0 50 FDAA C[C@@H]1CN(Cc2nc(CS(C)(=O)=O)no2)C[C@H](c2ccsc2)O1 120861267 VKJWIVRZBNWUIW-ZYHUDNBSSA-N 357.457 1.638 0 50 FDAA CCOC(=O)[C@]12CCCN[C@@H]1CCN(C(=O)c1ccc3c(c1)CCO3)C2 72142050 BJNXUOCHQPRXHN-XLIONFOSSA-N 358.438 1.769 0 50 FDAA O=C(CCc1nc[nH]n1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 328631032 QMBSIQJSAYFNEC-CQSZACIVSA-N 356.430 1.412 0 50 FDAA Cc1nc(C)c(C)c(N2C[C@@H](COCC(=O)N(C)C)OC(C)(C)C2)n1 488154165 DPOKADHCGJRRHV-HNNXBMFYSA-N 350.463 1.490 0 50 FDAA O=S(=O)(Cc1ccon1)NCCN[C@H]1[C@H]2CCO[C@H]2C12CCCC2 330207991 GJCDYCXYOPNFDV-QLFBSQMISA-N 355.460 1.031 0 50 FDAA Cc1csc(CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)n1 129411426 WJJSSFCCNVLHJG-UHFFFAOYSA-N 352.485 1.421 0 50 FDAA CC(=O)N[C@@H]1CN(Cc2ccc(CN(C)S(C)(=O)=O)o2)C[C@H]1C(C)C 77471314 LDAPDIIWHIPCRO-DLBZAZTESA-N 371.503 1.264 0 50 FDAA CCc1ccc([C@@H]2CNCCN2C(=O)c2ccc(C(=O)NC)nc2)cc1 261650265 GGLSCQRXMMNFMF-SFHVURJKSA-N 352.438 1.790 0 50 FDAA CC1=NN(c2ccc(C(=O)N3CCC[C@@H](S(N)(=O)=O)C3)cc2)CC1 370278679 IMOFZRRPWINKOU-OAHLLOKOSA-N 350.444 1.166 0 50 FDAA CN(CCO)C(=O)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71764169 GKNCIHPTFAMVSD-SFHVURJKSA-N 360.502 1.209 0 50 FDAA COCCn1c(C)cc(C)c(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1=O 218075620 OGCTVLOLTACSHB-OXQOHEQNSA-N 362.470 1.879 0 50 FDAA biogenic O=C(NC1CCN(c2cccnn2)CC1)c1cccnc1OCC(F)F 375947487 NCUWVMPJALOTBT-UHFFFAOYSA-N 363.368 1.914 0 50 FDAA CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1OC)c1ccc(C)cn1 218989871 TXPHJUXTRSWTAI-CQSZACIVSA-N 363.439 1.927 0 50 FDAA COc1ccc(C(=O)N2CCC3(CC2)CNC(=O)C3)cc1N1CCOCC1 77423902 UJFHYVUODBANSN-UHFFFAOYSA-N 373.453 1.274 0 50 FDAA COc1ccc(-n2cccn2)c(CN2CCN(Cc3noc(C)n3)CC2)c1 214967359 YVDYDEOLUGPKOU-UHFFFAOYSA-N 368.441 1.890 0 50 FDAA COc1nc2c(cc1CN1CCC[C@]3(CNC(=O)O3)C1)C(=O)N(C(C)C)C2 72447122 URUFJOUSRMYTBS-IBGZPJMESA-N 374.441 1.529 0 50 FDAA NC(=O)CN1CCc2ccc(NC(=O)c3ccc4nc(O)[nH]c4c3)cc2C1 447689381 PPTFVTFYAHTMQE-UHFFFAOYSA-N 365.393 1.364 0 50 FDAA CCc1c(C(=O)N2CC[C@H](N3CCOCC3)C2)cnn1-c1ccccc1 172763071 IVFHPKVSTOIHIP-KRWDZBQOSA-N 354.454 1.981 0 50 FDAA O=C(N[C@H]1C[C@@H](C(=O)O)C1)C1CCN(C(=O)COc2ccccc2)CC1 263326645 OVACUDFMMMXZQH-GASCZTMLSA-N 360.410 1.283 0 50 FDAA Cn1nc2n(c1=O)C[C@H](C(=O)NCC1(N3CCCC3)CCCCC1)CC2 223280137 ROFLLGFFDKDNGI-OAHLLOKOSA-N 361.490 1.059 0 50 FDAA Cc1cccc(-n2cc(CNC(=O)[C@@H]3CSC(C)(C)C(=O)N3)cn2)c1 426548525 NFPWLMKMLPQAOG-HNNXBMFYSA-N 358.467 1.807 0 50 FDAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@@H](C)c1n[nH]c(CC(=O)O)n1 426599815 WXUUOONCLOYQMQ-VIFPVBQESA-N 359.361 1.781 0 50 FDAA CC(=O)NCc1cc2n(n1)CCN(S(=O)(=O)c1ccc(Cl)s1)C2 426401613 DNLPCWGIFYIPHE-UHFFFAOYSA-N 374.875 1.439 0 50 FDAA CC(C)(CN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccncc1)C2)N1CCOCC1 91269864 ABAVZDXQSAQXTH-PKOBYXMFSA-N 372.513 1.729 0 50 FDAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cnc3c(c2)CCCC3)CN1C 96149771 PQZCQKYLNOSRHD-AEFFLSMTSA-N 358.486 1.631 0 50 FDAA Cc1cccc2nc(C(=O)N3CCN(CC4CCN(C)CC4)CC3)c(F)n12 97711725 WFUGJTDEVNSHSA-UHFFFAOYSA-N 373.476 1.881 0 50 FDAA O=C(NCC[C@H]1CCN(Cc2ccccc2)C1)N1CCS(=O)(=O)CC1 426388197 SVLLYHMMLQPVFN-KRWDZBQOSA-N 365.499 1.339 0 50 FDAA COC[C@]1(O)CCN(C(=O)c2cn(C)c3ccccc3c2=O)CC1(C)C 91650508 CGYWRIMIYBMBEB-HXUWFJFHSA-N 358.438 1.788 0 50 FDAA Cc1cnc(C)c(N2CCC[C@@H](c3nnc(Cn4cccn4)n3C)C2)n1 91624680 CGZOHXDJMWTYSL-OAHLLOKOSA-N 352.446 1.851 0 50 FDAA O=C1C[C@H](C(=O)O)C2(CCN(c3cc(C(=O)O)c4ccccc4n3)CC2)N1 95367542 HJETZZARIKFLRB-CYBMUJFWSA-N 369.377 1.493 0 50 FDAA Cc1cc(N2CCN(C(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)CC2)cc(C)n1 92022495 DZQNJNHQCWDCMH-INIZCTEOSA-N 358.486 1.994 0 50 FDAA CS(=O)(=O)NC1CCN(C(=O)c2ccc([C@H]3CCCN3)s2)CC1 23399062 ACWJZOMVZGZQSG-GFCCVEGCSA-N 357.501 1.326 0 50 FDAA Cc1cccc(=O)n1CCC(=O)NCc1nc(Cc2cccs2)no1 97522238 JENVBWONKJQQMH-UHFFFAOYSA-N 358.423 1.899 0 50 FDAA COc1cc(C(=O)NCCN2CCC[C@H](C(N)=O)C2)c2ccccc2n1 97631904 QNXSPTXBJWKVFT-ZDUSSCGKSA-N 356.426 1.171 0 50 FDAA COC(=O)[C@@]12[C@H]3[C@@H]4CC[C@@H]5OC(=O)[C@@]16[C@H]1[C@@H]7CCC(=O)[C@H]7[C@H]2[C@H]1[C@H]3[C@H]6[C@H]54 247841311 OBSYNFQRTLYMIV-YSRHURKZSA-N 354.402 1.444 0 50 FDAA CCS(=O)(=O)CC(=O)N[C@H](c1cc(F)ccc1OC)[C@H]1C[C@H](O)C1 244748831 OPFPTDCTNFDOII-PKWAYOAASA-N 359.419 1.197 0 50 FDAA Cc1ccc(-c2nc(CN3CCN(c4nccnc4O)CC3)no2)cc1 253537046 VPVFDPIDZVHEQG-UHFFFAOYSA-N 352.398 1.863 0 50 FDAA Cn1cc([C@H](CC(N)=O)c2oc(CN3CCCCC3)cc(=O)c2O)cn1 252508793 XTNKEKVUGLPBGR-AWEZNQCLSA-N 360.414 1.072 0 50 FDAA O=C(CCC(=O)c1ccccc1)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1O 252503547 VFBDLGWQXSPIDQ-UYAOXDASSA-N 367.449 1.796 0 50 FDAA CN(CC(=O)O)C(=O)CCN1C(=O)COc2cc(Br)ccc21 299752618 UUHGQQKTNKMUHY-UHFFFAOYSA-N 371.187 1.108 0 50 FDAA C[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@]12O)[C@](O)(CO)C3=O 261491884 DEXISWHCLDQHNE-YKLMKVOESA-N 366.454 1.501 0 50 FDAA biogenic CCN1C[C@@H](NC(=O)N2CCN(Cc3cc(C)cc(C)c3)C(=O)C2)CC1=O 534592223 NQFOUCCZFOXEPP-KRWDZBQOSA-N 372.469 1.278 0 50 FDAA COC(=O)[C@H](CCSC)NC(=O)CN1Cc2ccccc2O[C@@H](C)C1 299789473 VQAOBYXDXRQKRD-ZFWWWQNUSA-N 366.483 1.680 0 50 FDAA 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0 50 FDAA CS(=O)(=O)c1cccc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)c1 1529172369 GBWYQJKNBTYDJW-NVXWUHKLSA-N 360.435 1.473 0 50 FDAA COc1c(F)ccc(C(=O)N2C[C@H](C(=O)O)C3(CCOCC3)C2)c1F 1775984305 NQRCLRLHDKQHEK-LLVKDONJSA-N 355.337 1.927 0 50 FDAA COC1(c2cccc(C(=O)N[C@H]3C[C@H](Cn4ccnc4)C[C@@H]3O)c2)COC1 1857532902 HALKNRUKZJYQOU-WBAXXEDZSA-N 371.437 1.325 0 50 FDAA O=C(CCCn1cncn1)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857678525 MHTNVUFLKBCGKD-LJQANCHMSA-N 369.425 1.334 0 50 FDAA CN(C)c1nc(O)c2c(n1)[C@]1(CCCN(C(=O)c3ccc(O)nc3)C1)CC2 1857692409 CTTYHIDWBKPMDE-LJQANCHMSA-N 369.425 1.469 0 50 FDAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3ccc(F)cc3Cl)C[C@@H]12 1857698219 IWCOPDHVNCBDGG-YUTCNCBUSA-N 360.838 1.278 0 50 FDAA O=C(CCn1ccccc1=O)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1857722703 LDGSERVTTHTCOX-RTBURBONSA-N 367.449 1.523 0 50 FDAA Cc1cc(C[C@@H]2CN(C(=O)c3cc(-c4ccccc4)[nH]n3)C[C@@H]2O)n[nH]1 1857736167 YGVHRPZAGZTSSC-KDOFPFPSSA-N 351.410 1.784 0 50 FDAA CN1CCN(S(=O)(=O)c2cc(F)c(F)c(F)c2)C[C@H]1c1ncc[nH]1 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FDAA CN1CC[C@H]2CN(C(=O)c3csc(-c4ccncc4)n3)C[C@@]2(C(=O)O)C1 91894001 XFIGVBRBVSRVTA-UGSOOPFHSA-N 372.450 1.684 0 50 FDAA CCN1CCN(C[C@@H]2CN(Cc3nc4ccccc4[nH]3)C[C@@H]2CO)CC1 91435172 HOOBVBOLYWCNRP-IAGOWNOFSA-N 357.502 1.241 0 50 FDAA C[C@@H]1CCCN(C(=O)c2ccc(NC(=O)NCCN3CCNC3=O)cc2)C1 96148832 SYVYPZMDDFNUIQ-CQSZACIVSA-N 373.457 1.705 0 50 FDAA COc1ccc(CCNC(=O)[C@H]2CC[C@H](Cn3cnnn3)CC2)cc1OC 238923885 PZKPALAPEKUJSS-WKILWMFISA-N 373.457 1.856 0 50 FDAA OCCOc1cccc(CN2CCN(Cc3ccccc3CO)CC2)c1 97173021 AXUHNISNBITOPN-UHFFFAOYSA-N 356.466 1.868 0 50 FDAA Cn1cnnc1SCc1nc(-c2c[nH]c3ccccc23)nn1CCO 96149744 HDXHKJCPSMASQH-UHFFFAOYSA-N 355.427 1.840 0 50 FDAA Cc1cc(C)n2ncc(CN3CCC(c4nnc(CO)n4C)CC3)c2n1 97370273 RVMAGICVWQEYGX-UHFFFAOYSA-N 355.446 1.347 0 50 FDAA CN1CCC(C(=O)N2CC[C@@]3(CCCNC3=O)C2)(c2ccccc2)CC1 91526757 HHMAJTZLMCCOBZ-FQEVSTJZSA-N 355.482 1.779 0 50 FDAA COc1cccc(SCC(=O)N[C@H]2C[C@@H](c3nnc(CO)n3C)C2)c1 244718751 LQFPIUGUHMSCFC-TXEJJXNPSA-N 362.455 1.471 0 50 FDAA CCCn1ccnc1CNC(=O)N1CCN(c2nccc(OC)n2)CC1 534661819 BIZJBYGXCGYMHC-UHFFFAOYSA-N 359.434 1.124 0 50 FDAA CN(c1ccc(C(=O)NCc2nc(C3CC3)no2)cc1)S(C)(=O)=O 534592186 SUODIMXDFSPVCK-UHFFFAOYSA-N 350.400 1.273 0 50 FDAA Cc1nnsc1C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 827968269 KQKUXZPUKDKLPS-UHFFFAOYSA-N 362.411 1.336 0 50 FDAA CCc1ccc(S(=O)(=O)N2CCOC3(CCN(C(C)=O)CC3)C2)s1 823528996 QLHXXBGGXCQZTI-UHFFFAOYSA-N 372.512 1.713 0 50 FDAA CC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nc(N)nc(C)c3Cl)cc2)C1 584896624 CITOMPWEEVSXKO-AWEZNQCLSA-N 373.844 2.038 0 50 FDAA C[C@@H](NC(=O)N1CCC(C(=O)NCc2ccco2)CC1)c1ncnn1C 584895264 NIYBNLWYPLAZKM-GFCCVEGCSA-N 360.418 1.207 0 50 FDAA O=C(NCc1nc(-c2cnccn2)n[nH]1)N1CCN(C2CCCCC2)CC1 584890140 KAOZSMWPFPAJBB-UHFFFAOYSA-N 370.461 1.422 0 50 FDAA COc1ccc(CC(=O)O)cc1S(=O)(=O)NCCn1cnc(C)c1C 670452378 VAJJFNPAAPTXSI-UHFFFAOYSA-N 367.427 1.114 0 50 FDAA CS(=O)(=O)N1CCC[C@H](C(=O)N2CCCC[C@@H]([C@H]3CCOC3)C2)C1 1333975535 GSUUMFUQZQRYKO-PMPSAXMXSA-N 358.504 1.323 0 50 FDAA Cc1cc(C(=O)N[C@H]2c3ccccc3OC[C@@H]2F)nc2nc(O)nc(O)c12 1455703205 ARQQVQGMDHFAKS-HZMBPMFUSA-N 370.340 1.946 0 50 FDAA CCCCOc1ccccc1C(=O)N[C@H]1CCOC[C@@H]1OCC(=O)O 1565512217 XKLKVBYJENMXQS-HOCLYGCPSA-N 351.399 1.854 0 50 FDAA Cc1ccc(-c2nnn(C)n2)cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C 1565510002 FDRLYCIUVGSNRA-CABCVRRESA-N 355.446 1.886 0 50 FDAA Cc1noc(C)c1CN1CC[C@H](NC(=O)c2n[nH]c3ccccc23)[C@@H](O)C1 1565516756 FNNGGCPENYDMPC-IRXDYDNUSA-N 369.425 1.533 0 50 FDAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CN(C)Cc1cccnc1)C2 1565507710 BBERHNAOQINTIB-MOPGFXCFSA-N 370.497 1.929 0 50 FDAA O=C(O)c1ccc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)cc1F 269979756 QUPVIGMEINJIHN-UHFFFAOYSA-N 369.374 1.873 0 50 FDAA Cc1cc(S(=O)(=O)N2C[C@@H](CO)[C@H](c3cnn(C)c3)C2)c(C)s1 275205614 AGINFHXJMIHLQQ-KBPBESRZSA-N 355.485 1.495 0 50 FDAA C[C@H](C(=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1)n1cncn1 275515069 DNJZMLCIFDHYCZ-HUUCEWRRSA-N 356.430 1.514 0 50 FDAA CN(C)c1nccc([C@H]2CN(C(=O)c3cccc4[nH]ncc34)CCO2)n1 276518184 CUSYBCNBWLYLEX-MRXNPFEDSA-N 352.398 1.633 0 50 FDAA C[C@@H]1CN=C(N2CCN(C(=O)c3cccnc3-n3ccnc3)CC2)S1 170595077 SMBUINMAFSYHCP-CYBMUJFWSA-N 356.455 1.516 0 50 FDAA O=C(Cc1cccc2ncccc12)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1348952319 NXNYSZZUPBYXLT-KXBFYZLASA-N 374.462 1.630 0 50 FDAA OC1CCN(c2ccnc(NCc3csc(-c4cnccn4)n3)n2)CC1 1529151746 LYIAPDNQDCJGOS-UHFFFAOYSA-N 369.454 1.963 0 50 FDAA CS(=O)(=O)c1ccc(CN2C[C@@H](C(=O)O)C3(CCOCC3)C2)cc1 1800414164 LYAJOBJLTPXROR-HNNXBMFYSA-N 353.440 1.403 0 50 FDAA COc1cc(OC)c(C(=O)N(C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)cc1OC 1704301353 VVVUWYGUEQUUBL-FRRDWIJNSA-N 362.426 1.699 0 50 FDAA Cc1nncn1CCN1CCCN(C(=O)c2nn(C)c3ccccc23)CC1 1772814716 PJHGNALDOSTDGZ-UHFFFAOYSA-N 367.457 1.321 0 50 FDAA COc1ccc(C(=O)N2CCCN(c3ccc(C)nn3)CC2)c(OC)n1 1772813930 BKXFCCPDOMBWJL-UHFFFAOYSA-N 357.414 1.550 0 50 FDAA CC(C)(C)CN1CCNC(=O)[C@H]1CC(=O)NCc1c(F)cccc1F 12463895 WRAUXFYKCDDRQS-OAHLLOKOSA-N 353.413 1.818 0 50 FDAA COc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NCC(=O)O)cc1 16267236 DDGKZAANWLPWOE-BOPFTXTBSA-N 368.389 1.975 0 50 FDAA biogenic CCCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1c(=O)n(C)c(=O)n2C 16606923 PWEDQHHJWIUNOJ-LBPRGKRZSA-N 373.409 1.356 0 50 FDAA OCc1cn(C[C@H]2CCCN(Cc3ccc(-n4cccn4)cc3)C2)nn1 19146290 FMEWFJCLIJMBID-KRWDZBQOSA-N 352.442 1.868 0 50 FDAA CCc1cc(N[C@@H]2CCN(c3nc(C(=O)NC)nc(C)c3C)C2)nc(C)n1 1857528534 WFILOZGCWSATOK-OAHLLOKOSA-N 369.473 1.805 0 50 FDAA C[C@@H](c1ccc2c(c1)OCCO2)N(C)C(=O)c1cc2n(n1)CCN(C)C2=O 1857709754 PKELKEQPCIGLAN-LBPRGKRZSA-N 370.409 1.573 0 50 FDAA Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@H]2CC[C@H]3OCCN[C@@H]3C2)n1 1857714077 KSOFKBIYGPMFNW-YNEHKIRRSA-N 372.391 1.620 0 50 FDAA Cc1ccoc1C(=O)NC[C@H]1[C@H]2CN(c3ncc(F)cn3)C[C@]23CC[C@H]1O3 1857725131 JXWBTSGAPQSHJL-NRTGNBEESA-N 372.400 1.931 0 50 FDAA CCOC(=O)c1c(C)[nH]c(C(=O)N2CCO[C@@H]3C[C@H](CO)C[C@@H]32)c1C 1857727170 MKMPAIRQZPBGHC-HZSPNIEDSA-N 350.415 1.420 0 50 FDAA CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cc(Cl)cc3cccnc23)C1 116830764 MFEPXZULENGNDB-GFCCVEGCSA-N 353.831 1.652 0 50 FDAA CN1CC[C@@H](N2CCC(NC(=O)c3ccc(F)cc3Cl)CC2)C1=O 332336942 UWMVVBHZWMDSNR-OAHLLOKOSA-N 353.825 1.904 0 50 FDAA C[C@@](CO)(CNC(=O)c1ccccc1OCC(N)=O)Cc1ccccc1 242147495 WSGTXWWLYAOBQY-FQEVSTJZSA-N 356.422 1.522 0 50 FDAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)CN2S(=O)(=O)c1ccccc1 247848362 HWWQYEAYWLECAH-CABCVRRESA-N 372.450 1.402 0 50 FDAA COCC(=O)N1CC[C@@]2(O)CCN(Cc3ccccc3Cl)C[C@H]2C1 247830942 LHUGFHRWFYJUHU-YJBOKZPZSA-N 352.862 1.772 0 50 FDAA O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)CCN1CCCC1 247951345 SXQRFOXLEGINKM-SJORKVTESA-N 356.470 1.631 0 50 FDAA COc1cc(NC(=O)CN2CC[C@H](Cc3cnn(C)c3)C2)cc(OC)c1 363307206 PUYKUDJGFFXAGV-CQSZACIVSA-N 358.442 1.940 0 50 FDAA COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)N(C)C2CCCC2)C1 367164070 GCUKBWHLUPISIY-HNNXBMFYSA-N 361.508 1.353 0 50 FDAA O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CC[C@H]2CNC[C@H]21 368065647 PXKALKACLUCLTR-SUMWQHHRSA-N 357.841 1.984 0 50 FDAA Cc1nc(C[C@@H]2CCCN(C(=O)[C@H]3CC[C@@H](C(F)(F)F)NC3=O)C2)no1 264317176 PGUDYNKRXPSIIB-SRVKXCTJSA-N 374.363 1.616 0 50 FDAA C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)c1ccco1)[C@@H](C)N1CCOCC1 264315580 UFAKWZARSRVNKZ-XHSDSOJGSA-N 363.458 1.500 0 50 FDAA CO[C@H]1C[C@@H](Cn2ccc(N)n2)N(C(=O)c2cccc3c2CCCN3)C1 952887774 JBNXWVNEBLUXLI-KBPBESRZSA-N 355.442 1.753 0 50 FDAA CCOC1CC(CN=c2ccc(-c3ccccn3)n[nH]2)(N2CCOCC2)C1 1875310505 SGOVXJSWEWEJHF-UHFFFAOYSA-N 369.469 1.642 0 50 FDAA CN(C)C(=O)C[C@@H]1CN(c2cc(C(F)(F)F)c3c(n2)CCC3)C[C@H]1O 1875398423 PPMBCRGDGLQOTL-QMTHXVAHSA-N 357.376 1.865 0 50 FDAA N[C@H](Cc1ccnnc1)C(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl 1875345211 VUNVAYHAZDFQGN-ZIAGYGMSSA-N 355.225 1.503 0 50 FDAA C=CC(=O)Nc1ccc(C(=O)N2C[C@@H](C(=O)OC)C3(CCOCC3)C2)cc1 1875369136 SCYQTPKJKSKOAE-INIZCTEOSA-N 372.421 1.853 0 50 FDAA C=CC(=O)N1CCC(C(=O)NC[C@@H](O)c2cc(OC)ccc2OC)CC1 1875371400 ZCWNHJATSYQAEB-MRXNPFEDSA-N 362.426 1.278 0 50 FDAA CC[C@H](CC(F)F)C(=O)NCCN1CCN(Cc2nccn2C)CC1 1875335351 DPIPLTBDTIGRQG-CQSZACIVSA-N 357.449 1.335 0 50 FDAA COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)C1CCN(c2cc(O)ncn2)CC1 1875309937 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COC1(CN(C)C)CCN(C(=O)[C@@H](c2ccc(F)cc2)N(C)C)CC1 2356145241 HRBBCAATUYGIMQ-QGZVFWFLSA-N 351.466 1.998 0 50 FDAA COc1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)cs2)cc1 6680310 YEGYCKDBZLQEOH-UHFFFAOYSA-N 354.453 1.937 0 50 FDAA CNS(=O)(=O)c1ccc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)o1 222162352 VNLHEWGXUYNWMB-DCAQKATOSA-N 356.400 1.046 0 50 FDAA COc1cc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cc(OC)c1 8768206 WBUVHVAWVQIMCC-UHFFFAOYSA-N 355.350 1.346 0 50 FDAA CCn1c(=O)c2c(nc3n2C[C@H](C)CN3Cc2ccccc2)n(C)c1=O 10105140 OJRPDQVANXJRIU-CYBMUJFWSA-N 353.426 1.573 0 50 FDAA CNc1nc(N2CCN(c3ncccn3)CC2)nc2c1C(=O)CC(C)(C)C2 10157660 XMFOISKYLALIKA-UHFFFAOYSA-N 367.457 1.790 0 50 FDAA O=C(c1cccc(Cl)c1)N1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 225497207 MCJYFYXTQLIYGW-ZDUSSCGKSA-N 370.858 1.059 0 50 FDAA CN(Cc1cccnc1)Cc1cnc(S(C)(=O)=O)n1C[C@H]1CCCO1 55134416 REXSJLGVAQFJNL-MRXNPFEDSA-N 364.471 1.493 0 50 FDAA COc1ncnc(Cn2cc(C(=O)NCCO)c3ncc(C)cc32)c1C 103248024 VDRYGTNDKXIPSK-UHFFFAOYSA-N 355.398 1.222 0 50 FDAA 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328623488 JFMGEOPWASHBCE-QGZVFWFLSA-N 370.457 1.966 0 50 FDAA CCS(=O)(=O)NCCCN1CCCC[C@H]1c1ccc(C(=O)NC)n1C 328632597 LLEMHYVCSYRCLZ-HNNXBMFYSA-N 370.519 1.241 0 50 FDAA CC(=O)N1CCN(C[C@H](O)COC2CCOCC2)CC12CCCCC2 363106908 BXRTVRRERVDDPK-KRWDZBQOSA-N 354.491 1.410 0 50 FDAA Nc1ncccc1CN1CCOC[C@@H]1CC(=O)N1CCc2ccccc2C1 72481565 GFBIXKGUFNXAKH-IBGZPJMESA-N 366.465 1.840 0 50 FDAA NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cccc(-n2cncn2)c1 363547937 UCKYINWXHCKZDM-KRWDZBQOSA-N 364.409 1.163 0 50 FDAA CC(C)c1nc([C@@H]2CCCCCN2S(=O)(=O)[C@@H](C)C(=O)N(C)C)no1 365118719 WMHDPZJNFRVTHD-STQMWFEESA-N 372.491 1.917 0 50 FDAA Cc1c(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)cnn1-c1ccc(=O)[nH]n1 262429039 RKBSODPYDYNLOE-BNOWGMLFSA-N 371.397 1.122 0 50 FDAA CCN(C(=O)c1c[nH]nc1-c1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 77520808 WMGQVQZYYCOHOH-CYBMUJFWSA-N 351.403 1.865 0 50 FDAA Cc1ccc(C(=O)N2CCc3c(nc(N(C)C)nc3N(C)C)C2)cc1O 72171221 YFSACXRHXJIQNM-UHFFFAOYSA-N 355.442 1.821 0 50 FDAA COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)s1 35177280 ZZSGAAGELKETSE-ZETCQYMHSA-N 354.247 1.837 0 50 FDAA O=C(c1cc2c([nH]c1=O)CCC2)N1CCC(C(=O)N2CCCCC2)CC1 72428317 NZGAGDXRGNDJIL-UHFFFAOYSA-N 357.454 1.728 0 50 FDAA CCCN1C(=O)N[C@H](CC(=O)NCc2ccc3c(c2)OCCCO3)C1=O 219465648 GQLDFPXEWOLJOB-CYBMUJFWSA-N 361.398 1.185 0 50 FDAA Cc1nc(NCc2ccccc2-c2cnn(C)c2)sc1S(N)(=O)=O 376648827 MQOGPSYZMUTBTQ-UHFFFAOYSA-N 363.468 2.112 0 50 FDAA COC(=O)CCN(C)S(=O)(=O)N[C@@H](CN)c1ccc2ccccc2c1 262792856 OPPSVOYHMIHQKX-INIZCTEOSA-N 365.455 1.169 0 50 FDAA CCN(CCn1cccn1)S(=O)(=O)c1cccc(C(=O)N2CCC2)c1 215491556 CNXJLIUTZJKQPZ-UHFFFAOYSA-N 362.455 1.440 0 50 FDAA Cc1cccc(OC2(C(=O)O)CCN(C(=O)C3=NNC(=O)CC3)CC2)c1 72409751 MCIMFRURRZTZCJ-UHFFFAOYSA-N 359.382 1.086 0 50 FDAA Cc1nn(C)c2ncc(S(=O)(=O)N3CCC[C@@H]3Cn3ccnc3)cc12 173731753 SXRURVYXARYMQG-CYBMUJFWSA-N 360.443 1.327 0 50 FDAA Cc1cc(C)n(CC(=O)N2CCN(c3nc4ccccc4o3)CC2)c(=O)n1 221168854 IJLWTXCZHPPSCR-UHFFFAOYSA-N 367.409 1.350 0 50 FDAA CCn1cc(C(=O)N[C@H](COC)c2ccnn2C)c(=O)c2ccc(C)nc21 223394980 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291000997 WAWKJPISRJFAMH-CYBMUJFWSA-N 368.393 1.943 0 50 FDAA O=C(NCCCN1CCOCC1)c1ccc(Cn2cc(Cl)cn2)o1 20615772 PFESZSYLXZFEMY-UHFFFAOYSA-N 352.822 1.630 0 50 FDAA COc1cc(OC)nc(-c2ccc(C(=O)N[C@H]3CCCNC3=O)cc2)n1 426596492 LQTGALTXAUDDDO-ZDUSSCGKSA-N 356.382 1.169 0 50 FDAA COCCNc1nc2cc(C(=O)N3C[C@H]4CC[C@@H]3CN(C)C4)ccc2n1C 91656975 NIMQUIRUMWZVMO-GOEBONIOSA-N 371.485 1.798 0 50 FDAA CNc1nc(C(=O)N2C[C@H]3CC[C@@H]2CN(C2CCOCC2)C3)cs1 95358311 HDLUWFZEBXEFHW-GXTWGEPZSA-N 350.488 1.900 0 50 FDAA CN(C)S(=O)(=O)CCCN1CC[C@H](Cc2cccc(C(=O)O)c2)C1 91693988 SLMCIDKDTYQYRL-OAHLLOKOSA-N 354.472 1.531 0 50 FDAA Cc1ccc(N2CCC(c3nnc(Cn4ccnc4C)n3C)CC2)nn1 91519077 XPYILSUNELVWEG-UHFFFAOYSA-N 352.446 1.851 0 50 FDAA CCOC(=O)N1CCC(NC(=O)c2ccc(-c3cc(N)ncn3)cc2)CC1 426596690 YDHRRCSWGMRZMZ-UHFFFAOYSA-N 369.425 2.077 0 50 FDAA COc1cc2c(cc1OC)CN(C(=O)[C@H]1CSC(C)(C)C(=O)N1)CC2 97679714 GVWWUCDOFYONLP-CYBMUJFWSA-N 364.467 1.599 0 50 FDAA C[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCN2CCNC(=O)C2)C1 91656831 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CN(CC(=O)N1CCNC(=O)[C@@H]1c1ccc(F)cc1)Cc1cccnc1 823676259 ONJORSFOQBGAFP-SFHVURJKSA-N 356.401 1.352 0 50 FDAA CN1CCOC[C@@H](CNC(=O)N2CCN(C/C=C/c3ccccc3)CC2)C1 584902784 SOCQAYLPPXYWKQ-FKIZTMCRSA-N 372.513 1.605 0 50 FDAA O=C1NCCN(C(=O)NCCCN2CCCCC2)[C@@H]1c1cccc(F)c1 584893141 CNOHNMUKQVXEKP-QGZVFWFLSA-N 362.449 1.884 0 50 FDAA C[C@@H]1Oc2ccc(NC(=O)c3cccc(OCC(N)=O)c3)cc2N(C)C1=O 952988843 LEYQYMYQAAASIP-NSHDSACASA-N 369.377 1.547 0 50 FDAA CN1CC[C@@H]2CN(C(=O)c3cccc(CCC(C)(C)O)c3)C[C@]2(C(=O)O)C1 1565513204 FCLVJMJIOMFSNA-DYESRHJHSA-N 374.481 1.869 0 50 FDAA CCOC(=O)c1coc(N2C[C@H](c3ccc(OC)cc3)[C@@H](NC(C)=O)C2)n1 1565531274 ABWCYKFOUVLSCW-CVEARBPZSA-N 373.409 1.968 0 50 FDAA O=c1oc2ccccc2n1CCN1C[C@@H]2CC[C@H]1CN(c1cnccn1)C2 1565530533 WUCFZXDXQAFFGF-HOTGVXAUSA-N 365.437 1.985 0 50 FDAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(N2CCNC2=O)cc1 268939160 ITGWGTPAMJYGAT-KRWDZBQOSA-N 365.389 1.868 0 50 FDAA CN(CCc1cnccn1)C(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 271700040 ULOAATCOKKJXAD-GOSISDBHSA-N 352.438 1.711 0 50 FDAA C[C@@H](C(=O)N1CCC[C@H]1CC(=O)c1cnn(C)c1)n1nnnc1C(C)(C)C 272248828 ONONFBDXIPAECS-JSGCOSHPSA-N 373.461 1.529 0 50 FDAA Cn1cc([C@@H]2NC(=O)CC[C@H]2Nc2ncc(Br)cn2)cn1 275493381 JDWOBTCFXBDJTM-PWSUYJOCSA-N 351.208 1.404 0 50 FDAA C[C@H](CN1CCOCC1)NC(=O)[C@@H]1CCCCN1C(=O)c1cccs1 192532616 KYRHKGAIOCJYDI-CABCVRRESA-N 365.499 1.580 0 50 FDAA CCn1nc(C)c(CNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)c1C 1529166896 DBDSECZBCCCCBC-MSOLQXFVSA-N 356.426 1.392 0 50 FDAA O=C(O)[C@H]1CN(C(=O)CN2CCCCCC2=O)C[C@@H]1c1cccc(F)c1 219929452 WGMODTOZTOZNIA-CVEARBPZSA-N 362.401 1.855 0 50 FDAA CN(C(=O)CCc1nc2ccccc2[nH]c1=O)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704343429 XEZRAFCHFOTSPQ-HZSPNIEDSA-N 368.437 1.229 0 50 FDAA CC(C)CN1C[C@@H](C(=O)N2CCC(c3ccn(C)c(=O)c3)CC2)CCC1=O 1772812878 QWUFAOKWIWBJCE-SFHVURJKSA-N 373.497 1.986 0 50 FDAA CC1(C(=O)N2CCCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 1772815125 DXCFLEMXUBVEFP-UHFFFAOYSA-N 358.410 1.988 0 50 FDAA CCn1cc(C(=O)N[C@@H]2CC(=O)N(CCc3ccc(OC)cc3)C2)cn1 12835839 PYQFIMAHMCYDTN-MRXNPFEDSA-N 356.426 1.485 0 50 FDAA Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 16576653 PSNOEKHIHWUGJK-UXLLHSPISA-N 366.483 1.784 0 50 FDAA O=C(NCc1cccnc1)[C@@H]1[C@H]2C=C[C@@]3(CN(C4CCCC4)C(=O)[C@H]13)O2 165862607 UROUHZNCYQHZAL-WWNBULGVSA-N 353.422 1.422 0 50 FDAA Cc1cc(-n2cccn2)nc(N2CC[C@H](C3CC3)[C@H]2c2nnc(O)n2C)n1 1857527452 LKVLCEHIAMBIBR-HIFRSBDPSA-N 366.429 1.782 0 50 FDAA CNC(=O)Cn1cc(-n2ccnc2-c2cc(OC)c3c(c2)OCO3)cn1 1857693996 WEPKRGHNNRTVDI-UHFFFAOYSA-N 355.354 1.219 0 50 FDAA Cc1cc(C(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c2c(C)noc2n1 1857713232 MFZPKORJTVWNAW-ACJLOTCBSA-N 356.382 1.403 0 50 FDAA CCSCC(=O)N1C[C@@H]2[C@H](CNC(=O)C3CC=CC3)[C@H]3CC[C@]2(C1)O3 1857723480 HZYYXPUHYNLMJT-WFXMFSGNSA-N 364.511 1.828 0 50 FDAA CN(Cc1cccc(-c2nc3c(c(=O)[nH]2)CCCC3)c1)Cc1n[nH]c(=O)[nH]1 20598910 WVOHMCFFEOSDGS-UHFFFAOYSA-N 366.425 1.359 0 50 FDAA CO[C@H]1C[C@@H](CNc2ccnc3c2cnn3C)N(c2cc(C)ncn2)C1 952889655 FGKHRXWTPLNPLR-KBPBESRZSA-N 353.430 1.773 0 50 FDAA Oc1cc(CN2CC(O)(c3cccc(Br)c3)C2)nc(O)n1 1875268226 RNTZEUNNNRPMLC-UHFFFAOYSA-N 352.188 1.354 0 50 FDAA CCCCN(C)c1ncc(Cl)c(C(=O)N2C[C@@H]3OC(=O)O[C@@H]3C2)n1 1875277020 WXKVKUKREKDZEV-PHIMTYICSA-N 354.794 1.726 0 50 FDAA O=C(O)[C@@H]1CC[C@@H](C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)CN1 1875267122 CNOXXQDBOOSESK-HYVNUMGLSA-N 364.417 1.551 0 50 FDAA CN1CC/C(=C\C(=O)N[C@H](CNc2ncnc3cnn(C)c23)C(C)(C)C)C1 1875328102 YIJLYXPWCPYHOB-XETPBLJFSA-N 371.489 1.568 0 50 FDAA C[C@@H](NC(=O)c1csc(=N)[nH]1)C1CCN(C(=O)[C@H]2CCCO2)CC1 1875344843 NMICEYQDFIPJAW-ZWNOBZJWSA-N 352.460 1.092 0 50 FDAA CCc1nc([C@@H]2CN(C(=O)COCc3ccccc3)Cc3c[nH]nc32)n[nH]1 1875393114 GMZFBVXSWAQAKS-OAHLLOKOSA-N 366.425 1.781 0 50 FDAA Cc1ccc2nnc(CNC(=O)c3nn(C)c4c3C[C@@H](C)O[C@H]4C)n2c1 1875404073 SYGRCTBOQULGHS-NEPJUHHUSA-N 354.414 1.723 0 50 FDAA Cc1nc(C(=O)N2CCn3cncc3C2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875404001 PKCUGALOCGUTOK-OAHLLOKOSA-N 369.473 1.086 0 50 FDAA CCOC(=O)Cn1nc(C)cc1NC(=O)Cc1ccc(OC)c(OC)c1 1429217 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Cc1cn(CCNC(=O)C[C@H]2CCCN(c3nc4ncccc4o3)C2)nn1 1857718157 AWKUNPCFMRXJKK-CQSZACIVSA-N 369.429 1.546 0 50 FDAA O=C(c1cncnc1O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857721355 LFZDAVLJPGMOGD-ROUUACIJSA-N 368.437 1.860 0 50 FDAA COc1ccc2[nH]c(C(=O)N3CC[C@@]45OCCN4C(=O)C[C@@H]35)c(C)c2c1 1857727603 VZSIUAUFFXYEOS-BEFAXECRSA-N 355.394 1.658 0 50 FDAA Cc1nccn1-c1ccccc1CN1CCn2nc(C(=O)O)cc2C1=O 1875245938 GDUFZABXRRUWJA-UHFFFAOYSA-N 351.366 1.731 0 50 FDAA Cn1cc([C@@H]2CN(C(=O)c3cnc(O)c(Br)c3)CCO2)cn1 332996394 CBKLRLRZBNHETL-LBPRGKRZSA-N 367.203 1.497 0 50 FDAA Cn1nnc2cc(C(=O)N3CCNC(=O)[C@@H]3CC3CCCCC3)cnc21 333664996 BPSCPIFDLLQMEV-HNNXBMFYSA-N 356.430 1.274 0 50 FDAA COCCC(=O)N1CCN(C[C@H](O)COc2ccccc2C(C)C)CC1 242284684 YIXHIVOWYWIDMQ-KRWDZBQOSA-N 364.486 1.730 0 50 FDAA O=C(Cn1cnnn1)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 371032698 BJIRZBVCGIFKGO-CQSZACIVSA-N 373.461 1.975 0 50 FDAA O=C(O)[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 263289175 UZWMHCQLBFCWJS-RNCFNFMXSA-N 369.780 1.701 0 50 FDAA CS(=O)(=O)NCC1CCN(C(=O)[C@H](O)Cc2ccccc2Cl)CC1 804328725 ORVCQSAKWQVSST-OAHLLOKOSA-N 374.890 1.031 0 50 FDAA C=CC(=O)Nc1ccc(C(=O)N2C[C@@H](C(=O)NC)Oc3ccccc32)cc1 917629239 MFQJKGGRTHYQOE-KRWDZBQOSA-N 365.389 1.965 0 50 FDAA C[C@@]1([C@@H]2CCCN(C(=O)c3ccc4oc(S)nc4c3)C2)NC(=O)NC1=O 829689610 UQJRJGNQRQQTLN-QGHHPUGFSA-N 374.422 1.567 0 50 FDAA C=CC(=O)N(C)CC(=O)N[C@@H](CC)c1ccccc1OCC(=O)N(C)C 858635109 VAVGSNSMDSNTPA-HNNXBMFYSA-N 361.442 1.365 0 50 FDAA Cc1ccc2ncc(C(=O)N(C)C[C@H]3OCC[C@H]3c3n[nH]c(C)n3)n2c1 952889103 SUWMMVJJOJYVRN-UKRRQHHQSA-N 354.414 1.714 0 50 FDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)CCN3CCOC(C)(C)C3)n[nH]c21 1875293109 CKNUXURJRVQVDD-OLZOCXBDSA-N 350.463 1.615 0 50 FDAA O=C1OC[C@@H](C(=O)NC2(CNC(=O)c3cccc4ncccc34)CC2)O1 1875333132 CLLKDPRQWBLGSD-AWEZNQCLSA-N 355.350 1.149 0 50 FDAA O=C(CC1CCC1)N1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3cncn3)C2)C1 1875322157 KMCSCDRNRNSDPF-IAGOWNOFSA-N 359.474 1.555 0 50 FDAA Oc1cc(Br)cnc1CN[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O 1875398574 WSEYKUVFIZIARH-MPKXVKKWSA-N 367.247 1.676 0 50 FDAA C[C@@H]1[C@@H](NCc2nncn2C)CCN1C(=O)CCc1ncc(C(C)(C)C)o1 1875326417 ARVZGUDWSFWFGZ-KGLIPLIRSA-N 374.489 1.812 0 50 FDAA O=C(Nc1cccc(-c2noc([C@H]3CCCO3)n2)c1)N1CCOCCN1 1875318467 RERRBXLYPLPAIA-CQSZACIVSA-N 359.386 1.957 0 50 FDAA Cc1cc(NC2CC(O)(CNC(=O)c3c(C(C)C)cnn3C)C2)ncn1 1875406492 FTVFHNPNXSBWLU-UHFFFAOYSA-N 358.446 1.377 0 50 FDAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1cnnn1Cc1ccccc1 1875400608 GCYXMANEICQEQV-LZLYRXPVSA-N 366.425 1.092 0 50 FDAA N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)Cn2ccc(=O)c3ccccc32)C1 886038303 ULDNKFUORXGUCP-NHYWBVRUSA-N 353.344 1.882 0 50 FDAA Cc1cccc(CCNC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccnn2C)n1 886077579 LKBDVUCTUSVSKT-YJBOKZPZSA-N 355.442 1.392 0 50 FDAA CN1C(=O)CC[C@H](CNC(=O)Cc2ncccc2F)[C@H]1c1cnn(C)c1 888102671 FGJCBSHWWBWIMY-XIKOKIGWSA-N 359.405 1.223 0 50 FDAA N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cn(Cc3ccccn3)nn2)C1 888102348 ZPPNBRUSHBHHGN-GXFFZTMASA-N 354.336 1.216 0 50 FDAA O=C1C[C@@H]2CCCCN2CCCN(C(=O)C2CCOCC2)CCCCN1 2100533490 RJLFJRXEUAPCIB-SFHVURJKSA-N 365.518 1.786 0 50 FDAA Cc1cnc2nc(C(=O)O[C@H](C)C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)nn2c1 850320989 NAMDJMOMJCGRBT-AICCOOGYSA-N 371.441 1.919 0 50 FDAA COc1cc(Cl)cc(CC(=O)Nc2cnc(N3CCNCC3)nc2)c1 2325808960 FNFJDAQCZHTVOX-UHFFFAOYSA-N 361.833 1.729 0 50 FDAA CC(=O)N1CCC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)CC(=O)N3)CCO2 2325870945 VYIUMQDACRNTEI-LJQANCHMSA-N 357.410 1.035 0 50 FDAA CCn1ncc2c(C(=O)NCCN(C)CCO)cc(-c3ccccc3)nc21 925014832 RHGRYQBTLNCOPI-UHFFFAOYSA-N 367.453 1.772 0 50 FDAA CCc1ccc(C(=O)NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)s1 117538859 VIJZGSUAYCELBM-UHFFFAOYSA-N 364.448 1.715 0 50 FDAA Cc1cc(=O)cc(C(=O)N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)[nH]1 2356140329 FAFQYLUNOPLHIS-FQEVSTJZSA-N 367.453 1.660 0 50 FDAA COc1ccc(Cl)cc1C(=O)N1CCC2(CC1)OCC[C@H](O)[C@@H]2O 2356157728 OLMJGCNEYBUOSI-ZFWWWQNUSA-N 355.818 1.466 0 50 FDAA CN(C)S(=O)(=O)c1ccc(C(=O)NCCOc2ccc(F)cc2)cc1 3002171 CNRQPAYLTFNCLZ-UHFFFAOYSA-N 366.414 1.885 0 50 FDAA COc1cc(NC(=S)N2CCC(C(N)=O)CC2)cc(OC)c1OC 4857023 KCOGRGKKHCLZDH-UHFFFAOYSA-N 353.444 1.607 0 50 FDAA CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCOC)C2)cc1 6702101 VAAPYUHXMARBIW-CQSZACIVSA-N 370.471 1.249 0 50 FDAA CCOC(=O)c1sc2nc(COC(=O)[C@@H](O)CC)nc(N)c2c1C 225842368 KRTAUZSIYHOKLW-QMMMGPOBSA-N 353.400 1.573 0 50 FDAA O=C(CN1C(=O)CNC1=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 67674795 SHXHZTMYZHUKHP-DLBZAZTESA-N 367.405 1.068 0 50 FDAA COC(=O)c1cc2n(n1)CCN(C(=O)c1c[nH]nc1-c1cccc(F)c1)C2 67818016 SYAGAVUKCRZHBO-UHFFFAOYSA-N 369.356 1.855 0 50 FDAA CCc1nn(C)c(Cl)c1CN1CCN([C@@H]2CN3CCC2CC3)CC1 67834057 ZRUBKQCDRALZEG-QGZVFWFLSA-N 351.926 1.848 0 50 FDAA OCC[C@@H]1CN(c2ncnc3sc4c(c23)CCNC4)CCN1CC1CC1 65497749 GPKIHCMGNQOVRI-CQSZACIVSA-N 373.526 1.620 0 50 FDAA CCc1nccn1CCC(=O)N1CCC([C@]2(CC)NC(=O)NC2=O)CC1 67920929 UZIBYKGVHZRNQF-SFHVURJKSA-N 361.446 1.062 0 50 FDAA CCN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCc4ccc(C)cc4)C(=O)[C@@H]13)O2 77471610 OAIXTFIGJOYBJS-OOSNJVJTSA-N 354.450 1.798 0 50 FDAA CC(=O)N1CC2(CCN(Cc3snnc3C(C)C)CC2)C[C@H]1C(=O)O 72129687 YPFQWUJQTWKVCS-ZDUSSCGKSA-N 366.487 1.949 0 50 FDAA Cn1c(CN2CCC[C@@H]2c2nc(C(=O)NC3CC3)no2)nnc1C1CC1 328648002 UGDMQYDAOUIZFB-GFCCVEGCSA-N 357.418 1.305 0 50 FDAA Cn1ncc2c(NCCN3CCNC3=O)nc(CCc3ccccc3)nc21 72162567 JKJZRXFRKSFTPJ-UHFFFAOYSA-N 365.441 1.586 0 50 FDAA COc1ccc(-c2ccc(C(=O)N3C[C@H](O)[C@@H](N4CCOCC4)C3)o2)cc1 72419474 IDTWNJYRDAXOHU-IRXDYDNUSA-N 372.421 1.473 0 50 FDAA Cn1cc([C@H](NC(=O)c2cccc(-n3cccn3)c2)C2CC(O)C2)cn1 219760917 XTRKDWBVTTVOPH-IUPXNIOVSA-N 351.410 1.848 0 50 FDAA Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](OCc2ccncc2)C1 329010906 ICWKJKAOBQBXCB-BRWVUGGUSA-N 356.426 1.710 0 50 FDAA CC1(C)CN(CCNC(=O)NCc2ccccc2-n2ccnc2)CCO1 171178459 JMGTVLKXUSUOAV-UHFFFAOYSA-N 357.458 1.782 0 50 FDAA CN1CCC[C@@H](N2CCN(C(=O)[C@H]3CCCN3Cc3ccccc3)CC2)C1 363539701 NSVRWKYHQSZCQL-NHCUHLMSSA-N 370.541 1.889 0 50 FDAA Cn1cc(-c2cc(NC(=O)[C@H]3CCCN3C3CCOCC3)n(C)n2)cn1 365736339 SNZUPQNHZCQWAV-MRXNPFEDSA-N 358.446 1.403 0 50 FDAA C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1ccnc(-n2ccnc2)c1 365926145 LQFNVBKXMAVSCN-OAHLLOKOSA-N 355.442 1.593 0 50 FDAA CC(C)c1nc(N2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)no1 72427020 ZGMIDPQFPVFQLF-QGZVFWFLSA-N 365.522 1.939 0 50 FDAA Cn1cnc2cc(C(=O)N[C@@H]3CC(=O)N(Cc4ccc(F)cc4)C3)cnc21 72147777 FMKHVXSQLCQPSK-OAHLLOKOSA-N 367.384 1.638 0 50 FDAA CCc1nnc(CN2CC3(CCN(C(=O)C4CC4)CC3)C[C@@H]2C(=O)O)o1 72479813 YXKBYUGRGHEZNH-CYBMUJFWSA-N 362.430 1.310 0 50 FDAA CCn1ccnc1CN(C(=O)c1cnc(C)cn1)[C@@H]1CC12CCNCC2 261787489 UOSAUXVIQQSKST-MRXNPFEDSA-N 354.458 1.786 0 50 FDAA CCOCCn1c(=O)[nH]c2cc(C(=O)NCc3cc(C)nn3C)ccc21 77425182 CTXUWXBCBFOVGK-UHFFFAOYSA-N 357.414 1.338 0 50 FDAA CN(C)S(=O)(=O)N1CCN(Cc2ccc(CCC(C)(C)O)cc2)CC1 72426100 GFZXKVYYCSONFL-UHFFFAOYSA-N 369.531 1.314 0 50 FDAA Cc1ccc2nc(SCC(=O)N3CC[C@]4(CC(=O)NC4=O)C3)[nH]c2c1 77319238 LYGVHNSZVOIPCB-KRWDZBQOSA-N 358.423 1.229 0 50 FDAA CCS(=O)(=O)c1ccc2oc(CN3CC[C@H](CC(N)=O)C3)nc2c1 377504921 MVHKYHFNVFYTPT-LLVKDONJSA-N 351.428 1.319 0 50 FDAA COc1ccccc1CNC(=O)C[C@H]1COCCN1C(=O)c1cnccn1 72475348 TWRJOBHMWIXTKG-HNNXBMFYSA-N 370.409 1.033 0 50 FDAA O=C(O)C1CCN(C(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 49545357 KVXZDBPXYPJQKH-UHFFFAOYSA-N 359.357 1.373 0 50 FDAA COc1cc(CN2CCC3(CC2)C[C@@H](C(=O)O)N(C(C)=O)C3)ccc1O 82160452 BJSYGRCXHIZYFT-HNNXBMFYSA-N 362.426 1.688 0 50 FDAA O=C(c1cc(-c2cccnc2)[nH]n1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 225412072 ZYAZVIPARSJJAY-HIFRSBDPSA-N 361.405 1.893 0 50 FDAA biogenic Cc1cnc(CN2C[C@@]3(CCCN(C(=O)C(C)(C)N)C3)CCC2=O)cn1 82138881 BGFGUDOTSZWONG-IBGZPJMESA-N 359.474 1.254 0 50 FDAA CS(=O)(=O)N1CCCn2nc(CNc3cnc4ccccc4n3)cc2C1 82137459 SSBDUCIMYFAUGX-UHFFFAOYSA-N 372.454 1.604 0 50 FDAA Cc1cc(Cl)cc(Cl)c1CNC(=O)N1CCN2CCNC(=O)[C@@H]2C1 426370077 SOFYMCZVILUPCC-AWEZNQCLSA-N 371.268 1.627 0 50 FDAA CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(C(=O)c2cc(C)c4c(O)nc(O)nc4n2)[C@H]31 288488627 PRGMBQCFZOCELE-HAOVPJPFSA-N 356.382 1.240 0 50 FDAA C[C@@H](CNC(=O)N1CCNC(=O)C1)Oc1ccccc1Br 175979233 KRYXWKCGBMEQEC-JTQLQIEISA-N 356.220 1.358 0 50 FDAA C[C@@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1cn2ncsc2n1 222288561 FHWRXZUIZXNBMB-SECBINFHSA-N 354.395 1.529 0 50 FDAA O=C(NCc1ccncc1)[C@H]1[C@@H]2C(=O)N(C3CCCC3)C[C@@]23C=C[C@H]1O3 226999985 YHWSUWHJDWWTSQ-VIPLHTEESA-N 353.422 1.422 0 50 FDAA COCCNC(=O)c1ccc(-c2cccc(C(=O)NC3CCNCC3)c2)o1 426379669 HRDGKBWFGGGASU-UHFFFAOYSA-N 371.437 1.805 0 50 FDAA Cc1cc(C(=O)N2CCN(Cc3ccccc3)C[C@H]2CO)c(=O)[nH]c1C 92038784 PDVWHRVBGVCOOK-KRWDZBQOSA-N 355.438 1.311 0 50 FDAA CN(CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)C[C@H]1CCOC1 178367101 PPHDAWWIMUGMEY-GOSISDBHSA-N 373.497 1.234 0 50 FDAA Nc1cnc(-c2ccc(C(=O)N3C[C@H](O)[C@@H](N4CCCCC4)C3)cc2)cn1 426533806 PDYRXSMIERWVQA-ROUUACIJSA-N 367.453 1.397 0 50 FDAA CC(=O)NCc1cc2n(n1)CCN(Cc1nnc(-c3ccc(C)n3C)o1)C2 426734201 AJGIUPWJMDJLCL-UHFFFAOYSA-N 369.429 1.232 0 50 FDAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cnc(-c2ccccn2)nc1O 91593468 VCVXUTGEHKCXAS-HNNXBMFYSA-N 369.425 1.717 0 50 FDAA Cc1ccc(CN2CCN(C(=O)NC[C@@H]3CCCCN3C)CC2=O)cc1 426685302 MHNHDMXNWFMCER-SFHVURJKSA-N 358.486 1.833 0 50 FDAA Cc1cccc(-c2nc(CNC(=O)CC[C@H]3NC(=O)NC3=O)cs2)c1 91872678 DFPZQJHNPUUUMC-CYBMUJFWSA-N 358.423 1.723 0 50 FDAA Cc1cc(C)n(CC(=O)N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)c(=O)n1 91621059 XGWIJWGJZAWEQC-FQEVSTJZSA-N 372.469 1.111 0 50 FDAA O=C(c1ccn2nnnc2c1)N1CCC(c2nccn2CC2CC2)CC1 95517152 QIPOAYGVLOIARW-UHFFFAOYSA-N 351.414 1.751 0 50 FDAA Cc1nc([C@@H](C)NS(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)n[nH]1 97425622 BMWGEWIYYUDXRA-LLVKDONJSA-N 363.443 1.389 0 50 FDAA O=C(NC[C@H]1COc2ccccc2O1)c1coc(CN2CCOCC2)c1 95352279 UNOFDPFVLQSJMO-INIZCTEOSA-N 358.394 1.682 0 50 FDAA CCN(CCO)C[C@@H]1CN(C(=O)c2ccc(Cl)c(F)c2)C[C@@H]1CO 92097984 JKMRWJGQIBZPQV-ZIAGYGMSSA-N 358.841 1.474 0 50 FDAA CN1CCCN(c2cnn(CCn3cnc4ccccc43)c(=O)c2)CC1 95517314 MJJUTIMTRKZATI-UHFFFAOYSA-N 352.442 1.435 0 50 FDAA COC[C@@H](NC(=O)c1cnc(-c2csc(C)n2)nc1O)c1ccnn1C 91663617 BVXLJZDKIIMDHT-LLVKDONJSA-N 374.426 1.465 0 50 FDAA Cc1cc(N2CCC(N3CCN(c4ccccc4O)CC3)CC2)nc(N)n1 95360672 QJNCLKWZPPXVGN-UHFFFAOYSA-N 368.485 1.864 0 50 FDAA COC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2 239135377 LDXMVMBHJUGHRZ-DVZHBHJUSA-N 364.195 1.909 0 50 FDAA CN1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(F)c(F)c3F)C2)C1=O 91746706 FGVOQEVIAKMDJO-HNNXBMFYSA-N 362.373 1.737 0 50 FDAA Cc1ccc(C(=O)NCCCc2csc(N)n2)cc1N1CCNC1=O 91745374 YQARBKYNNOKLLZ-UHFFFAOYSA-N 359.455 1.926 0 50 FDAA Cc1csc(SCC(=O)N2CC[C@@]3(CCCN(CCO)C3=O)C2)n1 91664293 NMLGEEQNASDTMQ-INIZCTEOSA-N 369.512 1.377 0 50 FDAA CN1C(=O)[C@@H](CC(=O)NCc2ccccc2OC(F)(F)F)N(C)C1=O 91677119 UFBFRDDOJBZTIG-SNVBAGLBSA-N 359.304 1.484 0 50 FDAA CNC(=O)c1ccc(Cn2cc(Cn3c(=O)oc4ccccc43)nn2)o1 91915260 ZFGZSHCAHMGOIE-UHFFFAOYSA-N 353.338 1.235 0 50 FDAA O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CC(c2ccccn2)C1 91650755 NYRWVTWRILDUIQ-UHFFFAOYSA-N 357.435 1.762 0 50 FDAA C[C@@H](NC(=O)CCCc1nc(-c2ccncc2)no1)c1nnc(N)s1 244840386 UMKMPPLNHUFXGJ-SECBINFHSA-N 359.415 1.765 0 50 FDAA COc1ccccc1CCNC(=O)CN1CCCN(C(=O)C2CCC2)CC1 244874420 XBADLBDNQCWGCG-UHFFFAOYSA-N 373.497 1.688 0 50 FDAA CCc1nc(C)ccc1OCC(=O)N[C@H]1C[C@H](c2nnc(CO)n2C)C1 244748731 ONFYTLUWCVAUKO-JOCQHMNTSA-N 359.430 1.014 0 50 FDAA O=C(O)[C@H]1CN(C(=O)CCCc2nc(-c3cccs3)no2)CCO1 299752192 SUJASVAMZCYNDZ-SNVBAGLBSA-N 351.384 1.433 0 50 FDAA CNc1cc([C@H]2C[C@@H](NC(=O)CCCn3nc(C)cc3C)C2)nc(N)n1 252536057 HNCCDGXQWGUGJG-OKILXGFUSA-N 357.462 1.756 0 50 FDAA CN(CCC(N)=O)C(=O)C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 298151685 RNSTVALACZUIED-GOSISDBHSA-N 365.433 1.495 0 50 FDAA Cn1ccnc1CN1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1 252487747 IBDKGFILCPIDKM-UHFFFAOYSA-N 369.469 1.215 0 50 FDAA O=C1COc2cc(NC(=O)N3CCN(Cc4cccnc4)CC3)ccc2N1 298709958 JWSVKZMGGKVQGW-UHFFFAOYSA-N 367.409 1.762 0 50 FDAA CN1C(=O)C[C@H](C(=O)NCc2nc(C(=O)O)cs2)[C@H]1c1cccs1 299752835 VREHTCKVJKTIIM-SDBXPKJASA-N 365.436 1.739 0 50 FDAA Cc1c(C(=O)O)cnn1-c1ccc(C(=O)N[C@H]2CCN(C(C)C)C2=O)cc1 299752195 SUXAMUSKYGWFGD-INIZCTEOSA-N 370.409 1.618 0 50 FDAA 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370.457 1.188 0 50 FDAA CN1C(=O)CC[C@H](C(=O)NCc2ccc(C(=O)O)cc2)[C@H]1c1cnn(C)c1 268934833 GWKFXZMPGHJSSI-DOTOQJQBSA-N 370.409 1.344 0 50 FDAA CC(=O)NC[C@@H]1CCn2ncc(C(=O)Nc3nnc(C(C)C)s3)c2C1 276987255 SEXBSPNFDPIMQZ-LLVKDONJSA-N 362.459 1.809 0 50 FDAA NS(=O)(=O)c1cccnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 170621704 VQDKCJWURCAWHG-CYBMUJFWSA-N 361.423 1.842 0 50 FDAA CCn1nccc1N1CCC[C@H](NC(=O)CCn2ccnc2C(C)C)C1=O 189970631 UBGRPUXPLITSOJ-HNNXBMFYSA-N 372.473 1.925 0 50 FDAA CS(=O)(=O)c1ccc([C@H](O)Cn2nnc(-c3ccsc3)n2)cc1 193406042 YPDXNGDSFKXNEY-CYBMUJFWSA-N 350.425 1.539 0 50 FDAA CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H]1CCCOc2c(Cl)cccc21 193759872 GPERHNXDOBNWRP-KCPJHIHWSA-N 352.818 1.652 0 50 FDAA NC(=O)c1cccnc1N1CCN(C(=O)Cc2nc3ccccc3o2)CC1 1506406735 OCBNKDVKIKVAKJ-UHFFFAOYSA-N 365.393 1.213 0 50 FDAA Cc1nn(C)c(C)c1CN(C1CC1)S(=O)(=O)N1CCC[C@H](C(=O)O)C1 1506421882 MZUZKWBPEVJRDU-ZDUSSCGKSA-N 370.475 1.043 0 50 FDAA Cc1ccc(-n2nc(C(=O)N3C[C@H](C)[C@@](O)(C(C)C)C3)c(O)cc2=O)cc1 216712891 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O=C(c1ccc(CO)cc1)N1C[C@@H]2CN(C3CCCC3)C[C@]2(C(=O)O)C1 247402027 NPHXCRFBSVUCJL-JXFKEZNVSA-N 358.438 1.580 0 50 FDAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1n[nH]c3c1CN(C)CC3)C2 248094119 WUMQWWYXPMZUDS-CABCVRRESA-N 371.485 1.427 0 50 FDAA O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)[C@@H]1CSCN1 155667268 OYEQYTIEBRTSTD-WPRPVWTQSA-N 351.255 1.512 0 50 FDAA CC[C@@H](CNC(=O)c1ccnc2c(C(N)=O)cnn12)Oc1ccccc1F 156795782 PYHFSVCNLXOKAD-NSHDSACASA-N 371.372 1.555 0 50 FDAA C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1)C(=O)O 262450942 FMIMAWIXSKDAND-ZJUUUORDSA-N 363.819 1.507 0 50 FDAA C[C@@]1(O)CCOC2(CCN(C(=O)c3cccc4c3CCC4=O)CC2)[C@H]1O 1704297923 BFNXIJWJAIYVRP-RBUKOAKNSA-N 359.422 1.323 0 50 FDAA Cc1ccc(S(=O)(=O)N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)c(C)c1 1704329334 RDUOKYBRRMCBSR-QZTJIDSGSA-N 352.500 1.771 0 50 FDAA O=C(NCC[C@]1(O)C(=O)Nc2ccccc21)[C@@H]1COc2ccccc2O1 829048009 YKLQFWVRJQFJAI-QFBILLFUSA-N 354.362 1.173 0 50 FDAA Cc1ccccc1OCCC(=O)N1C[C@H]2C[C@H]1[C@H]2c1ocnc1C(N)=O 1875394756 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COc1ccc(C(=O)NN2C(=O)CN3C(=S)NC(C)(C)C[C@]32C)cc1 6668649 ABIVWHJEPMINFW-QGZVFWFLSA-N 362.455 1.257 0 50 FDAA O=C(N[C@@H]1C[C@H](C(=O)NC2CC2)C[C@H]1O)c1cc(O)c2cccc(F)c2n1 2100483454 VVEHGAKYYYCJQJ-LQBHMHGISA-N 373.384 1.227 0 50 FDAA CN(C(=O)CCn1c(CO)nc2ccccc21)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2100545200 JIBMVFMXVDVYEY-GEEKYZPCSA-N 357.454 1.927 0 50 FDAA O=C1CC[C@H](N2Cc3c(NC(=O)c4ccoc4)cccc3C2=O)C(=O)N1 1857797940 FVIZAFIMPIOUGY-AWEZNQCLSA-N 353.334 1.293 0 50 FDAA CCn1c(O)nc2cc(C(=O)N[C@@H]3CCN(C(=O)C(C)C)C3)ccc2c1=O 2325739581 OAKMYMONSYAYTJ-CYBMUJFWSA-N 372.425 1.109 0 50 FDAA Cc1nnc2n1C[C@@H](C(=O)N[C@H](C)Cc1ccc3c(c1)OCCO3)CC2 2325786847 KJEAOTWBVFUASU-DOMZBBRYSA-N 356.426 1.668 0 50 FDAA O=C(O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 246272 RMFTWSQXRNWNMA-UHFFFAOYSA-N 350.190 1.168 0 50 FDAA COC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(C)c1 623777 ODRNEVBISGCNMM-UHFFFAOYSA-N 374.422 1.045 0 50 FDAA CCc1nccn1CCC(=O)N1CC[C@H](O)[C@](CCC(C)C)(C(=O)O)C1 2356163086 XBMMBUCBMJMOKR-HNAYVOBHSA-N 365.474 1.936 0 50 FDAA CN1CCN(Cc2cccc(Cn3cccn3)c2)C[C@@]12CCNC(=O)CC2 108047163 KIQBIXBLOSXHTD-OAQYLSRUSA-N 367.497 1.718 0 50 FDAA Cc1ccccc1NC(=O)CC(=O)N1CCNC(=O)[C@@H]1Cc1ccccc1 55183208 MERZCCBQDOXSBI-SFHVURJKSA-N 365.433 1.893 0 50 FDAA Cc1cc(C)nc(NCCCC(=O)NCCc2nnc3ccccn23)n1 170625364 ZLTSAGPGPSXTMP-UHFFFAOYSA-N 353.430 1.687 0 50 FDAA COc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 65362577 LBOCXMDGXOSCLL-WMLDXEAASA-N 366.483 1.860 0 50 FDAA Cc1ccc(NC(=O)CC(=O)NCCS(=O)(=O)N2CCCC2)c(C)c1 65386862 FRAXIRGVEUFPIL-UHFFFAOYSA-N 367.471 1.174 0 50 FDAA Nc1ccc2c(c1)C[C@@H](C(=O)O)[C@@H]1[C@H]3C[C@@H](CN21)c1cccc(=O)n1C3 409413791 IYAWTWNQFMZVBU-AEVLCDIHSA-N 351.406 1.680 0 50 FDAA biogenic CN(Cc1cccnc1Cl)C(=O)c1cc(CN2CCC[C@H](O)C2)on1 67674887 PSQQAVCTJXJZIA-ZDUSSCGKSA-N 364.833 1.952 0 50 FDAA Cc1ccc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2cccnc2)o1 11937582 ZORQMJRNTABXDA-KRWDZBQOSA-N 356.426 1.332 0 50 FDAA C[C@H](Cn1cc(Br)cn1)c1nc2c3cnn(C)c3ncn2n1 2802706 QGTGMDSWBYJUEY-MRVPVSSYSA-N 361.207 1.774 0 50 FDAA CCN1CCN(C(=O)Cc2cccc(SC)c2)[C@H]2CS(=O)(=O)C[C@H]21 77486355 UPOKGIJDAXXMKG-CVEARBPZSA-N 368.524 1.281 0 50 FDAA CCCNC(=O)C[C@@H]1COCCN1C(=O)c1cc(-c2ccsc2)n[nH]1 72407185 KDHFOKGKSKGKID-CYBMUJFWSA-N 362.455 1.896 0 50 FDAA CCc1nc(CCNc2nc(N(C)C)nc3c2CCN(C(C)=O)C3)no1 71760365 CRQOXNCINZILGY-UHFFFAOYSA-N 359.434 1.047 0 50 FDAA CCNc1cc(C)nc(N2CCN(S(=O)(=O)c3cccs3)CC2)n1 32498037 OQCWRCARNLXWBN-UHFFFAOYSA-N 367.500 1.789 0 50 FDAA CC[C@@H](OC1CCCC1)C(=O)N1CC[C@H](N(C)Cc2nccc(N)n2)C1 328628615 HJQXGGHERLNMKL-GOEBONIOSA-N 361.490 1.829 0 50 FDAA C[C@H](c1ccccn1)N1CCC[C@H](n2ncc(N3CC[C@H](O)C3)cc2=O)C1 328604456 JZMISBQXGANVEM-RYRKJORJSA-N 369.469 1.607 0 50 FDAA O=C(NCc1cc(N2CCOCC2)ncn1)[C@H](O)c1cccc(Cl)c1 72475042 KPRDNXLNONVWKE-MRXNPFEDSA-N 362.817 1.316 0 50 FDAA Cn1c(C(=O)NCc2nc(-c3ccccc3)cs2)cc(=O)n(C)c1=O 216341919 QFLCXMWEPBHOCQ-UHFFFAOYSA-N 356.407 1.138 0 50 FDAA Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)[C@@H](C)S(C)(=O)=O)C2)n1 330578454 HMALVZLRCKSALV-OLZOCXBDSA-N 353.444 1.000 0 50 FDAA CN(C)Cc1nnc([C@H]2CCCN(Cc3ccc(N(C)C)nc3)C2)n1C 72409043 LBZHWUGYHIRUHC-INIZCTEOSA-N 357.506 1.717 0 50 FDAA O=C1CN(C(=O)c2cnn3cccnc23)CCN1Cc1cccc(F)c1 77338674 AFNKDBNEFQRKCF-UHFFFAOYSA-N 353.357 1.353 0 50 FDAA CN(C)C(=O)c1cc(NC(=O)Nc2cnn(C[C@H]3CCCO3)c2)ccn1 363555808 UCSQELZRHLZCLV-CQSZACIVSA-N 358.402 1.803 0 50 FDAA NC(=O)c1ccccc1OCc1cccc(C(=O)N2CCC[C@@H](N)C2)c1 158232535 NBNMHANXJMWZFA-MRXNPFEDSA-N 353.422 1.928 0 50 FDAA C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)C1 331725865 XDFKKCALCOYRPO-IIAWOOMASA-N 365.499 1.884 0 50 FDAA CCOC(=O)c1cnc(SC)nc1N1CCC[C@@H](N2CCCC2=O)C1 71764635 GVDWKDDLUHUNDN-GFCCVEGCSA-N 364.471 1.966 0 50 FDAA CN[C@@H](C)C(=O)N1CCn2nc(CN(C)Cc3cccc(OC)c3)cc2C1 72409945 AAMYOLAHSFTLMS-HNNXBMFYSA-N 371.485 1.474 0 50 FDAA Cc1cc(C)n([C@H]2CCN(Cc3ccc(CN(C)S(C)(=O)=O)o3)C2)n1 71497949 CIMVHXQGWORIKD-HNNXBMFYSA-N 366.487 1.931 0 50 FDAA CCCCN(Cc1nc(-c2cccnc2)no1)[C@H]1CCS(=O)(=O)C1 172164088 XBADNIAKIQJSLG-AWEZNQCLSA-N 350.444 1.921 0 50 FDAA O=C(N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O)c1ccc2c(c1)OCO2 72168418 VPQLTABQHPJEAZ-MOPGFXCFSA-N 366.417 1.882 0 50 FDAA Cc1cc(C)n(-c2ccc(=O)n(CC(=O)NCc3ccc(F)cc3)n2)n1 40287296 FWIXIPHNLHAUSK-UHFFFAOYSA-N 355.373 1.501 0 50 FDAA C[C@H](C(=O)O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 237441142 WRTYMTTYAWFIEJ-SNVBAGLBSA-N 366.361 1.485 0 50 FDAA O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC[C@H]1COc2ccccc2C1 241564257 OSTMKMNGPGWHOC-USXIJHARSA-N 370.449 1.919 0 50 FDAA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 284898384 RSIXMHYALVJWTE-IJLUTSLNSA-N 374.363 1.260 0 50 FDAA COc1cccc(C(=O)N2CCN(C(=O)CCn3ccccc3=O)CC2)c1 82096902 OWLRMAPFUPBBRF-UHFFFAOYSA-N 369.421 1.232 0 50 FDAA COc1ccc([C@H](NC(=O)c2ccc3[nH]nnc3c2)[C@H]2C[C@H](O)C2)cn1 223667101 YULJKTRHETZLOV-AHIWAGSCSA-N 353.382 1.604 0 50 FDAA O=C(NCCCN1CCC[C@@H](CO)C1)N1CCC(Cn2ccnc2)CC1 426511598 HNDKLKVPAAMOBJ-GOSISDBHSA-N 363.506 1.399 0 50 FDAA CCOC(=O)CN(Cn1nnc2ccccc21)Cn1nnc2ccccc21 40148698 CKJLHEWAOZMPTN-UHFFFAOYSA-N 365.397 1.656 0 50 FDAA COc1cccc(N2CCN(C(=O)CCc3c(C)nn(C)c3C)CC2=O)c1 82137659 NFESTHAYEPNBSC-UHFFFAOYSA-N 370.453 1.854 0 50 FDAA Cn1cccc1C(=O)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 82107862 QAGUNTAPJLMOOV-HXUWFJFHSA-N 369.469 1.836 0 50 FDAA O=C(CN1CCOC1=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 426563559 WLVNFYYRFJNFKZ-UHFFFAOYSA-N 353.369 1.498 0 50 FDAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2ccccc2N2CCOCC2)on1 95356059 ACKFZQBEINXGJU-QAPCUYQASA-N 371.437 1.807 0 50 FDAA COCC(=O)N1CCCN(C(=O)NCc2noc(-c3ccccc3)n2)CC1 426445499 IGODGQUOEQAVJW-UHFFFAOYSA-N 373.413 1.127 0 50 FDAA CC(=O)N[C@H](CC(=O)N1CC[C@@H](CN)C1)c1ccc(Br)cc1 178578654 HUEVIYGCMBINRS-SWLSCSKDSA-N 368.275 1.824 0 50 FDAA O=C(COC[C@H]1CCCCO1)N1CCC2(CC1)Nc1ccccc1NC2=O 91391082 PWYFGIXTIBIUON-OAHLLOKOSA-N 373.453 1.998 0 50 FDAA O=C(NCc1nnc2n1CCC2)[C@H]1CCC(=O)N(C2CCCCCC2)C1 91551762 SFAAQVSWVXWRKG-AWEZNQCLSA-N 359.474 1.802 0 50 FDAA COc1cccc(OCCN(C)C(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)c1 95497789 UIOOGFBEEDTSRG-OAHLLOKOSA-N 363.458 1.926 0 50 FDAA O=C(NCCN1CCc2ccccc21)[C@H]1CC(=O)N(c2cccc(O)c2)C1 97610092 ANMMKPLSYDVBLH-INIZCTEOSA-N 365.433 1.924 0 50 FDAA COCCN1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 95530918 PQQTTXWIPYTNPN-GOSISDBHSA-N 360.502 1.869 0 50 FDAA CCc1cc(N2CCC(N3CCCNCC3)CC2)nc(N2CCOCC2)n1 95524263 SZEIJDXNAKSERF-UHFFFAOYSA-N 374.533 1.140 0 50 FDAA CN1CCC(O)(C(=O)NC[C@H](c2ccc(F)cc2)N2CCCCC2)CC1 97773221 MGHQWXDZUUCVNV-GOSISDBHSA-N 363.477 1.926 0 50 FDAA CO[C@@H](C)C(=O)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 92066901 QNBOXWZHIFNYHI-INIZCTEOSA-N 359.470 1.890 0 50 FDAA CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)COc1ccc(F)cc1F)C2 91656039 UPDHHEDIDLEZPA-GXTWGEPZSA-N 367.396 1.948 0 50 FDAA CCn1ncnc1[C@H](NC(=O)Nc1cc(-n2cnnn2)ccc1F)C1CC1 97307375 HTHXIAQECWEJSD-CQSZACIVSA-N 371.380 1.686 0 50 FDAA O=C1N[C@H](C(=O)N2CCC(CCN3CCCC3=O)CC2)Cc2ccccc21 95359551 ZFTFUTLKPSXRMZ-SFHVURJKSA-N 369.465 1.592 0 50 FDAA CN1CCc2nc[nH]c2C12CCN(C(=O)[C@@H]1COc3ccccc3C1)CC2 91475376 BWFQPQKWYIRZQO-INIZCTEOSA-N 366.465 1.967 0 50 FDAA O=C(CN1C(=O)CCNC1=O)N1CCN(c2ccc(F)c(Cl)c2)CC1 95503507 JNMLENXXIAJAKM-UHFFFAOYSA-N 368.796 1.070 0 50 FDAA COc1cccc2c1OC[C@H](C(=O)N1CCC3(CC1)CN(C)C(=O)O3)C2 91625142 AYRUUDPOGXYMES-CQSZACIVSA-N 360.410 1.690 0 50 FDAA COc1cc2c(cc1C(=O)N1C[C@@H]3CCN(C)C[C@]3(C(=O)O)C1)CCC2 91425300 RWZVCDDMLTXKLR-YWZLYKJASA-N 358.438 1.662 0 50 FDAA CC(=O)c1cc(CN2C[C@@H]3CC[C@H](C2)N(CC(=O)N(C)C)C3=O)cs1 91603407 DMQSYDKXLAIJOY-LSDHHAIUSA-N 363.483 1.462 0 50 FDAA CN(CCc1nc(-c2c[nH]c3ccccc23)nn1C)[C@H]1CCS(=O)(=O)C1 95526884 IFKCETPXHRQEJZ-ZDUSSCGKSA-N 373.482 1.625 0 50 FDAA Cc1ccc(-c2cc(C(=O)N3CCN(Cc4noc(C)n4)CC3)[nH]n2)o1 91494490 MTWJICUUOTVXMQ-UHFFFAOYSA-N 356.386 1.628 0 50 FDAA Cc1csc(CCCNC(=O)[C@H]2CC(=O)N(Cc3cccnc3)C2)n1 95530864 MDUICJWVJKKSJR-HNNXBMFYSA-N 358.467 1.944 0 50 FDAA CNc1nc(N2CCC[C@@H](c3nnc(Cn4cccn4)n3C)C2)ncc1F 92028704 QHDLDLDHBMPIDC-GFCCVEGCSA-N 371.424 1.415 0 50 FDAA Cc1[nH][nH]c(=O)c1CC(=O)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 252523303 CHPXEMWXXMEGMC-IYOUNJFTSA-N 357.410 1.117 0 50 FDAA Cc1cc2c(cc1C(=O)N[C@H]1C[C@@H](c3cc(O)nc(N)n3)C1)OCCO2 253534887 QCPHMTWUALFHCV-PHIMTYICSA-N 356.382 1.520 0 50 FDAA O=C(CCn1cc(Cl)cn1)N[C@@H]1CCN(Cc2cscn2)C[C@H]1O 299787399 WPAFGRKJFRALHA-ZIAGYGMSSA-N 369.878 1.135 0 50 FDAA CS(=O)(=O)c1ccc(CC(=O)NCCCn2cc(Cl)cn2)cc1 299800762 YFHGUBKJRVLOOP-UHFFFAOYSA-N 355.847 1.689 0 50 FDAA CCCc1cc(C(=O)N2CCOC3(CCN(C(=O)C4CCC4)CC3)C2)n[nH]1 823005660 MLMURTHRNXVENP-UHFFFAOYSA-N 374.485 1.996 0 50 FDAA CCc1[nH]c2c(CNC(=O)c3c[nH]nc3-n3cnnn3)cc(C)cc2c1C 71752388 MTZZPNIACNKSPZ-UHFFFAOYSA-N 364.413 1.976 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cccn2C)CN1Cc1cccc(O)c1 95366195 XMPWQBVHIAONLF-YJBOKZPZSA-N 370.453 1.240 0 50 FDAA O=C(Cc1cn2ccsc2n1)N[C@H]1CCOC[C@@H]1Oc1ccccn1 1565529983 BKMHMFNDOUWFFL-KBPBESRZSA-N 358.423 1.686 0 50 FDAA CCNc1ncc(C(=O)N2C[C@H]3c4ccccc4OC[C@@]3(C(=O)O)C2)cn1 1565527294 FLRMQIIYPMYBLP-LIRRHRJNSA-N 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332426835 YKATWCLKVXMVRE-HNNXBMFYSA-N 351.834 1.471 0 50 FDAA CS(=O)(=O)N[C@@H]1CCCC[C@H]1N[C@H]1CCN(c2ccccc2)C1=O 252540569 PMZOHFPHDANUMC-OAGGEKHMSA-N 351.472 1.242 0 50 FDAA COc1ccc(CN2C[C@H]3COC[C@@H]2CN(C)C3)cc1Cn1cncn1 1704313053 LGGWSJBYFUPCGB-WMZOPIPTSA-N 357.458 1.097 0 50 FDAA Cc1c(C(=O)N2CCN(Cc3cn[nH]c3)CC2)nc(O)c2ccccc12 823007782 IGNBXCOWRWUPLO-UHFFFAOYSA-N 351.410 1.930 0 50 FDAA O=C(CN[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)N1CCOCC1 932069884 WCHRKYVQLJMVOF-HZPDHXFCSA-N 371.403 1.498 0 50 FDAA Cc1nc(C2CC2)ccc1C(=O)NC[C@H]1C[C@H](c2nncn2C)C[C@H]1O 952848881 NEXNUSMLAGIFJP-JJRVBVJISA-N 355.442 1.680 0 50 FDAA CON1CCC(CC(=O)N2CCn3c(nnc3C(F)(F)F)[C@@H]2C)CC1 1875296424 WUTVMCOSJXQKPY-JTQLQIEISA-N 361.368 1.864 0 50 FDAA COCCOc1ncccc1CNC(=O)c1c2c(nn1C)[C@H](C)O[C@H](C)C2 1875314528 CRVRVTKBFPBCIF-OLZOCXBDSA-N 374.441 1.793 0 50 FDAA COc1cccc([C@H](C)[C@H]2CCN(C(=O)C(=O)NCc3c[nH]nc3C)C2)c1 1875308260 WRHUESROLYSYSF-BBRMVZONSA-N 370.453 1.995 0 50 FDAA C=CC(=O)N1CCC(C(=O)NCc2noc3c2CC(F)(F)CC3)CC1 1875380620 UIZFCZLNMMVCQU-UHFFFAOYSA-N 353.369 1.839 0 50 FDAA CCc1cc(C(=O)N(CC(=O)NC)C[C@@H]2CC2(Cl)Cl)cn(C)c1=O 1875303710 KICVJXKNJMZVEM-LBPRGKRZSA-N 374.268 1.330 0 50 FDAA C[C@@H]1CCc2[nH]nc(C(=O)NS(=O)(=O)c3c4ccccc4nn3C)c2C1 1875362588 LEGFOQRASHOJDG-SNVBAGLBSA-N 373.438 1.540 0 50 FDAA C[C@@H]1C[C@@H](NC(=O)C2C3CC4CC(C3)CC2C4)CN1C(=O)c1cnn[nH]1 1875342687 CTCGWMWCDWYYDZ-IOCFZUKASA-N 357.458 1.596 0 50 FDAA Cc1nc2nccc(N3CC4(CCC(NC(=O)[C@H]5C[C@H]5F)CC4)C3)n2n1 1875405117 SUEAKCKWRRMKQC-UONOGXRCSA-N 358.421 1.656 0 50 FDAA Cc1cc(C)nc(-n2[nH]c(C(=O)N[C@@H](C)c3c(C)nn(C)c3C)cc2=O)n1 2325736532 UPLHZVSGTIOPAZ-NSHDSACASA-N 369.429 1.414 0 50 FDAA C[C@H](CCC(F)F)NC(=O)C(=O)Nc1ccc(N2CCNCC2)cc1 2325775196 JLZMRHDLZMESCF-GFCCVEGCSA-N 354.401 1.585 0 50 FDAA COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3cccnc3)CC2)c1 893008 HLEMTPIRIPLWAS-UHFFFAOYSA-N 355.394 1.697 0 50 FDAA CCS(=O)(=O)N1CCN([C@H](C(=O)O)c2cc(C)c(OC)c(C)c2)CC1 55404245 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359.474 1.065 0 50 FDAA CC(C)c1nc(CNC(=O)c2ccc(NCCc3c[nH]cn3)nc2)no1 67851332 JHTCCLXWYJXYQR-UHFFFAOYSA-N 355.402 1.896 0 50 FDAA Cn1ncc2c(NCCCc3nnc(N)s3)nc(-c3ccncc3)nc21 72412205 BWGAWVUJMHOZNZ-UHFFFAOYSA-N 367.442 1.904 0 50 FDAA COc1ccccc1N1CCC(NC(=O)NCCS(C)(=O)=O)CC1 148256144 KNFIISGNQDERQD-UHFFFAOYSA-N 355.460 1.008 0 50 FDAA CS(=O)(=O)N1CCC[C@H](C(=O)NCCOc2ccccc2Cl)C1 65364602 UAZYDYNENHRDSI-LBPRGKRZSA-N 360.863 1.507 0 50 FDAA NC(=O)[C@@H]1CN(C(=O)NCC2(c3ccc(Cl)cc3)CCC2)CCO1 171206565 QKPZTMVBGRXUER-AWEZNQCLSA-N 351.834 1.657 0 50 FDAA COc1ccccc1CN(Cc1nnc2n1CCOC2)C[C@@H]1CCCO1 281360500 SGSUHJINVINFPW-INIZCTEOSA-N 358.442 1.998 0 50 FDAA CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)Cc2ccc(F)cc2)cn1 328644344 ZDCPQGKGMISYGK-INIZCTEOSA-N 365.430 1.583 0 50 FDAA Cc1nnc(NC(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)s1 328646196 ZZZYLDZNYSPFHF-GXTWGEPZSA-N 363.491 2.127 0 50 FDAA CCS(=O)(=O)N(C)C1CCN(C(=O)[C@@H](C)N(C)CC(F)(F)F)CC1 330995136 OIZANIKUBZCYMF-LLVKDONJSA-N 373.441 1.142 0 50 FDAA Cc1cnc(N)c(S(=O)(=O)NC2CCN(Cc3ccccn3)CC2)c1 329073675 AYDFIMLNVNOZAW-UHFFFAOYSA-N 361.471 1.310 0 50 FDAA COc1cc(N2CCC[C@H](c3nnc(CN4CCCCC4)n3C)C2)ncn1 72419147 WGMGHEVDOOATLR-HNNXBMFYSA-N 371.489 1.984 0 50 FDAA Cc1nccn1C1(C(=O)O)CCN(C(=O)Cc2ccc(CO)cc2)CC1 72423465 APTMWAOVXRJSNA-UHFFFAOYSA-N 357.410 1.329 0 50 FDAA Cc1cn2c(n1)CN(C(=O)[C@@H](c1ccccc1F)N1CCOCC1)CC2 374678241 LAFHMXIJBHHQKO-GOSISDBHSA-N 358.417 1.746 0 50 FDAA Cc1cc(S(=O)(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)cc(C(=O)O)c1C 332529679 QRENQPRXKKTKGS-HOTGVXAUSA-N 368.455 1.095 0 50 FDAA NC(=O)CNC(=O)[C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 71738542 YMWDBYASAXSWEJ-SFHVURJKSA-N 372.513 1.007 0 50 FDAA Cc1ccc(Sc2cc(N3CCC(O)(C(=O)O)CC3)nc(N)n2)cc1 71419251 ZPFCUJUFZZXVNP-UHFFFAOYSA-N 360.439 1.934 0 50 FDAA CC[C@@H]1C[C@@H](CC(=O)NC2CCN([C@H]3CCN(C)C3=O)CC2)CCO1 333477429 OTUHNJBMTRSHAK-UAGQMJEPSA-N 351.491 1.393 0 50 FDAA C[C@H](CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)C1CCNCC1 237586845 MDEVDEHAEDNFEY-CQSZACIVSA-N 371.489 1.038 0 50 FDAA O=C(CCn1ccnc1)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)O)c1 262659741 LKSAPFABVCPBII-INIZCTEOSA-N 370.409 1.991 0 50 FDAA COCCN1C[C@H](C(=O)NCc2cccc(-c3nccn3C)c2)CC1=O 371394650 BIMWJYQBHYFPPQ-MRXNPFEDSA-N 356.426 1.198 0 50 FDAA COc1ccc2c(c1)C=C(CN1CCC[C@](O)(CNC(C)=O)CC1)CO2 72168268 YMMHOESMLKGUMW-HXUWFJFHSA-N 360.454 1.824 0 50 FDAA O=C(O)CS(=O)(=O)CCN1CCCN(Cc2ccc(Cl)cc2)CC1 262291537 HLTQWIYWOHWEER-UHFFFAOYSA-N 374.890 1.347 0 50 FDAA CCNC(=O)N1CC[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccccc3CC)C2)C1 157878066 HXTDYRDJYYKRQM-JKSUJKDBSA-N 372.469 1.522 0 50 FDAA O=C(Nc1cccc(-n2ccnn2)c1)NC1CCN(c2ncccn2)CC1 130252129 JVUZOZYYGRRZTG-UHFFFAOYSA-N 364.413 1.848 0 50 FDAA CC(C)NC(=O)N1CCc2ccc(S(=O)(=O)NCC[C@H](C)O)cc2C1 77356493 ZBILJFJMJOFVKI-ZDUSSCGKSA-N 369.487 1.212 0 50 FDAA C[C@H](CNc1nc(-c2ccncc2)nc2c1CCNCC2)n1cncn1 72420074 LIXPLRHHLIJGKM-CYBMUJFWSA-N 350.430 1.491 0 50 FDAA Cc1cnc(C(=O)N2CC(=O)N(c3ccc4cn[nH]c4c3)C[C@H]2C)cn1 82098681 BUCWYJJGKRNYPM-GFCCVEGCSA-N 350.382 1.539 0 50 FDAA 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Cn1nccc1CCC(=O)N1CCCN(Cc2cccc3nonc23)CC1 1529179592 CZSNOIJLSGAJFS-UHFFFAOYSA-N 368.441 1.623 0 50 FDAA Cc1csc(CNC(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)n1 1529106412 OHPVYFMLHKQNEM-SJORKVTESA-N 372.450 1.594 0 50 FDAA COc1cccc(OC)c1OCCN1C[C@H](O)[C@H](Cc2cc(C)[nH]n2)C1 1704338757 ZDRFTZVBOVRAOS-ZBFHGGJFSA-N 361.442 1.650 0 50 FDAA OC[C@@]12CN(Cc3ccccc3F)C[C@H]1CN(c1ncnc3[nH]cnc13)C2 1772812341 FZQYYALAUJEWCV-LIRRHRJNSA-N 368.416 1.423 0 50 FDAA NC(=O)c1cnc(C(=O)N2CCn3cccc3[C@H]2c2cccs2)cn1 1772704029 FYPXWEVVSPTPEZ-HNNXBMFYSA-N 353.407 1.684 0 50 FDAA O=S(=O)(Cc1ccccc1)NC[C@@H]1CCCN(C2CCOCC2)C1 12299508 YIRVPLPAJGIARB-KRWDZBQOSA-N 352.500 1.997 0 50 FDAA COc1cccc(C(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)c1 13008792 NFHLYYXTWFJXQX-UHFFFAOYSA-N 364.409 1.633 0 50 FDAA CC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(Cl)c3C)CN2C1=O 14742054 OWUBKTFIGPVYGW-JKOKRWQUSA-N 364.833 1.648 0 50 FDAA CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)C1=NNC(=O)CC1 14975151 DVOYMERQSYTGGG-UHFFFAOYSA-N 374.460 1.805 0 50 FDAA CCCc1cc(C(=O)NCc2cccnc2N2CCC[C@H](O)C2)n(C)n1 19145491 SJNPYSGBNABDQZ-INIZCTEOSA-N 357.458 1.659 0 50 FDAA CCOC(=O)c1c(NC(=O)CN2CCN(C)CC2)sc2c1CCC2 19758719 MXUOVNSVIWJCCE-UHFFFAOYSA-N 351.472 1.599 0 50 FDAA Cc1nc2cc(O)nn2c(C)c1CCC(=O)N[C@H](CO)c1ccccc1 155466390 WOLKNUZNGZVQAS-MRXNPFEDSA-N 354.410 1.834 0 50 FDAA CN(C)c1ccc(CCC(=O)N[C@@H]2C[C@H]3CO[C@@H](CCO)CN3C2)cc1 1857722754 MYMDIOHQPKXVES-NEWSRXKRSA-N 361.486 1.026 0 50 FDAA O=C(NC[C@H]1[C@H]2CN(Cc3nccs3)C[C@]23CC[C@H]1O3)c1cnccn1 1857726606 ZHMXROFKZBNYPI-YRWGSWDYSA-N 371.466 1.343 0 50 FDAA CCc1nc(-c2ncccn2)sc1C(=O)NCCc1n[nH]c(=N)s1 1857732031 YXPSSUOOHPGXER-UHFFFAOYSA-N 361.456 1.399 0 50 FDAA CCc1nccc(-c2nccn2CCc2ccc(S(N)(=O)=O)cc2)n1 1857739715 PLQDOBDXHHABEE-UHFFFAOYSA-N 357.439 1.793 0 50 FDAA c1c[nH]c(CN2CCCn3nc(CN4CCN5CCCC[C@H]5C4)cc3C2)n1 106996098 ZOJDYKQCZMZQAH-SFHVURJKSA-N 369.517 1.682 0 50 FDAA O=C(Cn1nc(-c2ccccc2)ccc1=O)NC[C@H]1CCN(C2CC2)C1 120404118 NEZPQTKOOPIZMV-OAHLLOKOSA-N 352.438 1.511 0 50 FDAA NC(=O)C[C@@H]1CCCN(C(=O)NCCc2nc3c(s2)CCCC3)C1 133542798 VIUKVBVXDILIDW-LBPRGKRZSA-N 350.488 1.861 0 50 FDAA Nc1cc(C(=O)N2CC[C@@H](C3CCN(c4ncccn4)CC3)C2)ccn1 14975334 HHZZMEIMYFPKLW-MRXNPFEDSA-N 352.442 1.833 0 50 FDAA Cn1cc(Oc2ccccc2C(=O)N2CCN([C@@H]3CCOC3)CC2)cn1 367287120 GVGWRBVSJAVDEP-OAHLLOKOSA-N 356.426 1.759 0 50 FDAA CCCn1c(CN2CCNCC2)nc2cc(S(=O)(=O)N(C)C)ccc21 261706933 JQWICSIZZHOJKC-UHFFFAOYSA-N 365.503 1.102 0 50 FDAA N[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 158614355 PQIKXAYKIVPUOO-VIFPVBQESA-N 350.216 1.854 0 50 FDAA CC(C)(O)CN1CC[C@H](Nc2nc(O)c3cnn(-c4ccccc4)c3n2)C1 865998390 FUNLWBWTZDWOPB-ZDUSSCGKSA-N 368.441 1.778 0 50 FDAA COc1cncc(C(=O)NC[C@H]2C[C@@H](OC)CN2c2ccncn2)c1C 952886677 FPJFPROVQPTSQN-ZIAGYGMSSA-N 357.414 1.212 0 50 FDAA C[C@]1(c2ccc(CN=c3cc(CC4CC4)nc[nH]3)cc2)NC(=O)NC1=O 1875275381 HNBFCMGXNMQBRR-LJQANCHMSA-N 351.410 1.518 0 50 FDAA Cc1ccc(C(=O)Nc2c[nH]nc2OCC(F)F)cc1NS(C)(=O)=O 1875354395 GGZOPTICRSQIOK-UHFFFAOYSA-N 374.369 1.986 0 50 FDAA Cc1cc2nc[nH]c(=NC/C=C/CNC(=O)[C@@H](C)N3CCSCC3)c2[nH]1 1875327930 QCAIJVOOMLLBCZ-RDFMZFSFSA-N 374.514 1.210 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)N2CCc3c(CC(N)=O)cccc3C2)C1 1875371184 RSDGBEVKGGGWQE-INIZCTEOSA-N 355.438 1.024 0 50 FDAA C[C@@H]1CN(C(=O)c2cnc3n2CCC3)C[C@@H]1NC(=O)C1(C2CC2)CCC1 1875408518 YIXVKPCMQXUVCP-HIFRSBDPSA-N 356.470 1.986 0 50 FDAA CO[C@@H]1CN(CC(=O)N2CCCc3ccccc32)C[C@H]1c1cn(C)nn1 886072052 MEPYXVILTCBTTJ-MAUKXSAKSA-N 355.442 1.209 0 50 FDAA CCN1C(=O)C[C@@H](CNS(=O)(=O)CCC(C)C)[C@@H]1c1nccn1C 886027824 ZROVSQNDACHGGQ-DZGCQCFKSA-N 356.492 1.295 0 50 FDAA O=C(NCc1nc(C(F)(F)F)n[nH]1)[C@@H]1CCCCN1Cc1ccncc1 1320419860 XWKBRXDFVQBTNV-LBPRGKRZSA-N 368.363 1.889 0 50 FDAA O=C(CN1CCC2(CC1)CCN(Cc1ccccc1)C2)N1CCOCC1 370649732 GSIVSTBTUUDEHA-UHFFFAOYSA-N 357.498 1.833 0 50 FDAA O=C(N[C@@H]1CC[C@H]2CNC[C@H]21)N1C[C@@H]2Oc3c(F)ccc(F)c3O[C@@H]2C1 2325757266 XTOFOUZDXUSLHM-MGZPQWHJSA-N 365.380 1.496 0 50 FDAA Cc1ccc(OCc2cccc(C(=O)N3CC[C@@H](NCCO)C3)c2)cn1 2325769038 BMOVDMSQAVVDJZ-GOSISDBHSA-N 355.438 1.765 0 50 FDAA O=S(=O)(Nc1ccc(C2CCNCC2)cc1)c1cnc2cccnn12 2325808990 NYDVKPRGMKELFU-UHFFFAOYSA-N 357.439 1.997 0 50 FDAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC[C@H](c3nnc(O)o3)C2)cc1 2325889976 KWKMAOGGUCIGRV-ZDUSSCGKSA-N 356.382 1.944 0 50 FDAA Cc1cc2[nH]cc(C(=O)N3CCC[C@]34CCCN(C3CC3)C4=O)c(=O)n2n1 2356169869 KDRHDDXDHFORMH-IBGZPJMESA-N 369.425 1.091 0 50 FDAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2c[nH]c(=O)[nH]c2=O)ccc1F 102701454 LKVWMNZHKVQLTQ-RBVVOMGSSA-N 371.412 1.990 0 50 FDAA C1=CCN(c2nc(NC3CC3)nc3c2CCN(Cc2c[nH]cn2)CC3)C1 101145671 NBTVJRSEQCLUPH-UHFFFAOYSA-N 351.458 1.751 0 50 FDAA CCN(CC)Cc1cnc2c(C(=O)N3CCC(CC(N)=O)CC3)cnn2c1 67692610 KSBGKOMJJYFRFE-UHFFFAOYSA-N 372.473 1.299 0 50 FDAA CCC(C)(C)NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1 67613110 ZDRAAYIPLMUFCW-UHFFFAOYSA-N 367.515 1.682 0 50 FDAA CN1CCC2(CC1)CN(C(=O)[C@@]13CC[C@@](C)(OC1=O)C3(C)C)CCN2C 67726577 GPDJGPYNXHAJRX-QUCCMNQESA-N 363.502 1.347 0 50 FDAA COC(=O)c1ccc(-c2noc(CN(C)CCc3cnn(C)c3)n2)cc1 23129495 MQTIQZBJKOOEDM-UHFFFAOYSA-N 355.398 1.931 0 50 FDAA CN(C)S(=O)(=O)c1ccc(NCCNC(=O)OC(C)(C)C)c(N)c1 21021264 KVCXWXCRLSPFMI-UHFFFAOYSA-N 358.464 1.456 0 50 FDAA COCCN1CCC[C@@](O)(CNCc2ccc(C(F)(F)F)nc2)C1=O 67919703 XTCAPTJXULWEGA-OAHLLOKOSA-N 361.364 1.190 0 50 FDAA NC(=O)C1CCN([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)CC1 20190443 BKAIPHFUADVEAK-GFCCVEGCSA-N 370.236 1.823 0 50 FDAA C[C@@H](Cc1cnccn1)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 32541417 NZKGQZRWJBWERC-NWDGAFQWSA-N 360.364 1.855 0 50 FDAA C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 538273 GSDSWSVVBLHKDQ-JTQLQIEISA-N 361.373 1.544 0 50 FDAA biogenic,fda CCc1nc(C)ccc1OCC(=O)N[C@@H]1CCCN(c2ncccn2)C1 72149891 NGFUXUXUFHNSAA-OAHLLOKOSA-N 355.442 1.906 0 50 FDAA CCN(C)C(=O)CN1CCC[C@H](N2CCN(c3ccccc3OC)CC2)C1 72137283 WPHZATLRXKMPTP-SFHVURJKSA-N 374.529 1.760 0 50 FDAA CN(C)S(=O)(=O)[C@H]1CCCN(Cc2cccc3c2OC(F)(F)O3)C1 331770605 AIMUZVGTQVRVLO-LBPRGKRZSA-N 362.398 1.864 0 50 FDAA Cc1cncc(C(=O)N2CCC3(CC2)C[C@H](C(=O)O)N(C(=O)C2CC2)C3)c1 72422890 YULMAEPNLAPFFM-MRXNPFEDSA-N 371.437 1.708 0 50 FDAA CC(C)(C)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCSCC2)[C@H]3C1=O 77485817 OCIIQTKWEUZLCR-NUXNZHGMSA-N 350.484 1.390 0 50 FDAA Cc1nn(-c2ccc3nncn3n2)c2c1[C@@H](c1cccc(O)c1)CC(=O)N2 33011350 JIZZPLRPILAFJT-CYBMUJFWSA-N 361.365 1.798 0 50 FDAA Cc1nc([C@H]2CCCN2C(=O)N[C@@H]2CCCN(c3ncccn3)C2)no1 332814761 WSFKHPBIANOZFM-ZIAGYGMSSA-N 357.418 1.684 0 50 FDAA CN(Cc1ccccn1)[C@@H]1CCCN(c2nc(O)c3cnn(C)c3n2)CC1 333051646 QLDSJRPZDCWUKI-OAHLLOKOSA-N 367.457 1.955 0 50 FDAA COC1(c2ccccc2)CN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 376245066 XORYTBLUKUCRIV-SFHVURJKSA-N 357.410 1.091 0 50 FDAA CC(C)(O)CCc1cccc(C(=O)N2CCc3nc[nH]c(=O)c3CC2)c1 72421804 NIWRNPWRGNZPNL-UHFFFAOYSA-N 355.438 1.714 0 50 FDAA O=C(c1cn(-c2ccccc2)nn1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 72169527 JDBZCAKGBJNCNW-CABCVRRESA-N 361.405 1.689 0 50 FDAA COCCCNC(=O)c1cn2cc(-c3ccc(OC)cc3)n(C)c(=O)c2n1 72427982 DVLCQQSOJOWEPB-UHFFFAOYSA-N 370.409 1.475 0 50 FDAA Cc1cc2occ(CC(=O)N3CCN4CCNC(=O)[C@H]4C3)c2cc1Cl 216285898 JYRJGDZRHBTUAQ-OAHLLOKOSA-N 361.829 1.580 0 50 FDAA Cn1ccnc1[C@H](O)c1cc2n(n1)CCN(Cc1cc(C3CC3)on1)C2 223544012 ZRBJRPWOWNFVAU-QGZVFWFLSA-N 354.414 1.580 0 50 FDAA Cc1cc(C)nc(-c2ccc(C(=O)NC[C@H]3CN(C)CCN3C)cc2)n1 426643046 UDWZXZQHZWJPCG-SFHVURJKSA-N 353.470 1.736 0 50 FDAA CSc1ncc(C(=O)NCc2nncn2CCc2ccccc2)cn1 223488785 RGHCWNBWKGGAHC-UHFFFAOYSA-N 354.439 1.963 0 50 FDAA Cc1nc(O)nc(C)c1CCC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1 223368250 LIRUNFRRXOWOBG-MRXNPFEDSA-N 368.437 1.649 0 50 FDAA COc1ccnc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1 47693969 DBJYQTOSOCRVHC-UHFFFAOYSA-N 351.410 1.858 0 50 FDAA COCCn1ccnc1CN1CCCn2nc([C@H](O)C3CCC3)cc2C1 230576242 UMAUKXRIPVBALL-LJQANCHMSA-N 359.474 1.965 0 50 FDAA COc1ccc2c(c1)C=C(CN1CCC(c3nnc(CO)n3C)CC1)CO2 97744681 LUVVDORAHFRIPC-UHFFFAOYSA-N 370.453 1.971 0 50 FDAA Cn1nnc2c1C[C@@H](c1nc(-c3ccc(N4CCOCC4)cn3)no1)CC2 289677591 FIPPNFIKEPBBIO-LBPRGKRZSA-N 367.413 1.369 0 50 FDAA Cc1ccc(NC(=O)NC[C@@H]2COCCO2)cc1NC(=O)CN(C)C 96164030 QURDDXCACCEHGP-CQSZACIVSA-N 350.419 1.032 0 50 FDAA CN1CCN(C(=O)c2cccc(O)c2)C[C@]12CCC(=O)N(CC1CC1)CC2 95364423 OZXPXFKOCMGXTE-OAQYLSRUSA-N 371.481 1.941 0 50 FDAA Cc1cnn(CCNC(=O)c2ccc3c(c2)nc(N2CC[C@H](O)C2)n3C)c1 95373314 NHMGRXJGBLVDDU-HNNXBMFYSA-N 368.441 1.079 0 50 FDAA Cn1c(Cn2cccn2)nnc1[C@@H]1CCCN(CCC(=O)N2CCCC2)C1 95357196 IMJMQWVEBHRIGR-MRXNPFEDSA-N 371.489 1.252 0 50 FDAA O=C(NC1CCCC1)c1cccc(S(=O)(=O)NC[C@H]2CCOC2)c1 95378320 XGBGUUPOJCMIHS-CYBMUJFWSA-N 352.456 1.674 0 50 FDAA CNC(=O)c1n[nH]c2c1CN(c1cc(C)nc(-c3ccccc3O)n1)CC2 91713513 URVBRJDRMCGBLL-UHFFFAOYSA-N 364.409 1.803 0 50 FDAA CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(C(N)=O)cn3)cc2)C1 426606828 XSDRLXYGWPJBAC-QGZVFWFLSA-N 366.421 1.588 0 50 FDAA O=C(NCCn1nc(-c2ccccc2)ccc1=O)N1CCO[C@H](C2CC2)C1 426479777 RULBUMYMVZSSPQ-SFHVURJKSA-N 368.437 1.731 0 50 FDAA CC(C)Cc1cc(CNC(=O)[C@H]2CNC[C@H](C(=O)N3CCCC3)C2)no1 95354313 ZBIQFGOUJYEFDJ-HUUCEWRRSA-N 362.474 1.337 0 50 FDAA COCCN1CCC[C@]2(CCN(c3nnnn3-c3ccccc3)C2)C1=O 91724741 ZBKHOAISGXQIHF-GOSISDBHSA-N 356.430 1.128 0 50 FDAA O=C(c1cnc[nH]c1=O)N1C[C@H]2CC[C@@H]1CN(CCCc1ccccc1)C2 91486694 SZMPIGAFFTVBQX-ZWKOTPCHSA-N 366.465 1.939 0 50 FDAA COc1ccc2c(c1)OC[C@@H](C(=O)N1CCC(O)(Cn3ccnc3)CC1)C2 91859057 LYAPNGJOUWPWNX-INIZCTEOSA-N 371.437 1.497 0 50 FDAA NC(=O)C1(N2CCCCC2)CCN(c2nccc(-c3ccncc3)n2)CC1 96150957 QSLHWEXSRUUDRW-UHFFFAOYSA-N 366.469 1.849 0 50 FDAA CC(=O)N1CC[C@@H](Nc2cc(C(F)(F)F)nc(N3CCCC3)n2)[C@H](O)C1 244594217 DINQQNZYZWUFMX-VXGBXAGGSA-N 373.379 1.489 0 50 FDAA COCCn1cncc1CN1CCN(c2cccc(OC)c2)C(=O)[C@H]1C 244874140 WVEQKIMVUNVCLU-OAHLLOKOSA-N 358.442 1.775 0 50 FDAA O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCC(c2ccncn2)CC1 298530770 XFBZIZYAOAGNES-UHFFFAOYSA-N 371.441 1.437 0 50 FDAA COc1ccc(N2C(=O)N[C@H](CCC(=O)NCCc3ccco3)C2=O)cc1 248150886 WCLDUPVQMODQJH-MRXNPFEDSA-N 371.393 1.852 0 50 FDAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2snnc2C)cc1 252482043 CXCCWWNVGFGECN-HNNXBMFYSA-N 373.482 1.162 0 50 FDAA Cc1ccsc1CN(C)C(=O)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 299770123 QNPNMDZNLHYDOD-HNNXBMFYSA-N 370.540 1.914 0 50 FDAA CN(CCc1ccccn1)C(=O)NCc1csc(N2CCOCC2)n1 584884575 BXQTVYOERPCUNW-UHFFFAOYSA-N 361.471 1.759 0 50 FDAA O=C(CN1CCN(c2nccn(C3CC3)c2=O)CC1)NC1CCCCC1 302024826 HHJVYCSIEAAMOK-UHFFFAOYSA-N 359.474 1.149 0 50 FDAA CN1CC(=O)N(CC(=O)N(Cc2cccnc2)Cc2ccsc2)C1=O 952871811 CDUNXFFYBAXYQA-UHFFFAOYSA-N 358.423 1.566 0 50 FDAA C[C@H]1CN(C(=O)c2ccc(N3CC(=O)NC3=O)cc2)CC[C@]1(O)C1CC1 1565525452 SFTYRGRNOPIQPS-HXPMCKFVSA-N 357.410 1.366 0 50 FDAA Cc1cccc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(C(N)=O)cc2)n1 1565530709 QZQJZZPSIJTGPY-RDJZCZTQSA-N 355.394 1.455 0 50 FDAA COc1ccc([C@H]2CN(C(=O)Cc3ccncc3)C[C@@H]2NC(C)=O)cc1 1565505957 FJZMZKXLMFPXSJ-MOPGFXCFSA-N 353.422 1.763 0 50 FDAA O=C(N[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1O)c1ccc(Cl)cn1 1565530935 PRBDJIGMXSAUNM-HOCLYGCPSA-N 359.813 1.740 0 50 FDAA O=C(N[C@H]1COCC[C@@H]1Oc1ccc(CO)cc1)c1cn2ccsc2n1 1565507006 JOTXYTMEHKPPNG-HOTGVXAUSA-N 373.434 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O=C1CCCN1CC1CCN(C(=O)c2ccc(N[C@H]3CCOC3)nc2)CC1 67821009 CRJJLJCVADJRBA-KRWDZBQOSA-N 372.469 1.757 0 50 FDAA COC(=O)c1cc2n(n1)CCCN(C(=O)[C@H](O)c1ccc(OC)cc1)C2 65370108 RGQHAKDNYHMVGV-MRXNPFEDSA-N 359.382 1.144 0 50 FDAA C[C@H]1CN(c2ccccc2NC(=O)[C@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 229563518 UKNVYDNXTBAYPC-MJBXVCDLSA-N 352.456 1.673 0 50 FDAA Cc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)s1 1059811 PCPRSVQVQKXAIJ-LLVKDONJSA-N 372.406 1.874 0 50 FDAA CCc1ccc(C(=O)O)cc1S(=O)(=O)NCCCCS(C)(=O)=O 424594144 FFRAHPAMWVALMH-UHFFFAOYSA-N 363.457 1.050 0 50 FDAA CC1=NN(C(=O)c2c(Br)c(C)nn2C)[C@](O)(C(F)(F)F)C1 4124315 VLCUJCHCNVGHIO-SNVBAGLBSA-N 369.141 1.964 0 50 FDAA O=C(NCCCc1nc2cc(F)ccc2[nH]1)[C@H]1CC2(CCNCC2)CN1 72157489 ZIZLMNRJDPLPDR-MRXNPFEDSA-N 359.449 1.483 0 50 FDAA CN1CCN(CCCNc2nc(-c3ccncc3)nc3c2cnn3C)CC1 72150426 UMRDLTCNMXHTTQ-UHFFFAOYSA-N 366.473 1.475 0 50 FDAA O=C(N[C@@H]1CCN(c2nc(-c3ccccc3)no2)C[C@H]1O)c1ccccn1 77517983 XHJBOAUAFJCZKY-GDBMZVCRSA-N 365.393 1.501 0 50 FDAA COCCN1C[C@]2(CCCN(C(=O)CCn3ccnc3C)C2)CCC1=O 77376101 OFDNPRFZHOJSPG-LJQANCHMSA-N 362.474 1.459 0 50 FDAA CCCn1ncc(C(=O)N2CCC[C@]3(CCC(=O)N(CCO)C3)C2)c1C 77471435 TZEIXLYWWZBHBT-LJQANCHMSA-N 362.474 1.439 0 50 FDAA O=C(O)CN1CCC[C@]2(C(=O)O)CN(Cc3cccc(F)c3F)CC[C@@H]12 72408375 ZTJYJWRBXJVNGQ-KDOFPFPSSA-N 368.380 1.791 0 50 FDAA CC(C)Oc1cc(N[C@H]2C[C@H](c3nnc(CN(C)C)n3C)C2)nc(N)n1 219895676 WBNDKLZVOVHDCD-TXEJJXNPSA-N 360.466 1.394 0 50 FDAA Cc1ncccc1OC1(C(=O)NCc2n[nH]c3c2CCC3)CCNCC1 77408134 YPFVZYQYRCMPHY-UHFFFAOYSA-N 355.442 1.419 0 50 FDAA O=C1CO[C@H]2CCN(CC(=O)N(c3ccccc3)C3CCCCC3)C[C@@H]2N1 366754274 BHCPLSAZSYWFCM-OALUTQOASA-N 371.481 1.942 0 50 FDAA CC(C)CN1CCN(C(=O)c2cccc(N3CCOCC3)c2)[C@@H](C)C1=O 77564492 HXFSFSPUIJIVQL-INIZCTEOSA-N 359.470 1.852 0 50 FDAA Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(c2ccnc(C(=O)O)c2)C1 72409053 LXLLQUXUMYHJFT-CQSZACIVSA-N 370.457 1.888 0 50 FDAA Cc1nc2c(C)cccc2cc1C(=O)N[C@@H]1COCC[C@@H]1OCC(=O)O 219698193 HEKOZGMUFPOUHI-CVEARBPZSA-N 358.394 1.840 0 50 FDAA O=C(c1cnc2ccccn2c1=O)N1CCC[C@@H](OCc2ccccn2)C1 77379039 NMWGBIFYSOLENQ-MRXNPFEDSA-N 364.405 1.911 0 50 FDAA Cc1nc(C2CCN(C(=O)C3CCOCC3)CC2)cc(N2CCOCC2)n1 72433689 KOAPCTYSRHBENR-UHFFFAOYSA-N 374.485 1.754 0 50 FDAA COc1nc2c(cc1CNC(=O)[C@@H]1CCCN1C)C(=O)N(C1CCCC1)C2 71681283 UUTNLHMGAWWFPY-KRWDZBQOSA-N 372.469 1.699 0 50 FDAA O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)[C@@H]1CCc2nn[nH]c2C1 332773801 HGDWWRGBHUMUBQ-ZXFNITATSA-N 365.437 1.183 0 50 FDAA C[C@@H]1CC(C)(C)[C@@H](CNC(=O)C2(C)COC2)[C@@H]1NC(=O)C1(C)COC1 332824566 HFOMXZXHQATEQX-HZSPNIEDSA-N 352.475 1.343 0 50 FDAA CCOc1ccc(CN2CCN(c3nccc(OC)n3)CC2)cc1CO 216222758 CWPKFDJDISWEBH-UHFFFAOYSA-N 358.442 1.698 0 50 FDAA CC(C)N(CCCO)C(=O)C[C@H]1C(=O)NCCN1Cc1cccs1 72149256 BDVDOHXUROEBET-HNNXBMFYSA-N 353.488 1.058 0 50 FDAA CN(CCn1c(=O)oc2ccccc21)Cc1cccc(-c2nn[nH]n2)c1 216263736 GULWYQNIOGSRFQ-UHFFFAOYSA-N 350.382 1.907 0 50 FDAA CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N1CC(n2ccnn2)C1 378542416 OFHALYSHYVUPTI-INIZCTEOSA-N 369.425 1.365 0 50 FDAA CN(C)S(=O)(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1 77518963 BMMSJUSADKRROV-SFHVURJKSA-N 365.499 1.698 0 50 FDAA Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)[nH]n1 175317517 LFBCXXQYAPXLDE-FUHWJXTLSA-N 351.410 1.815 0 50 FDAA COc1ccc(C(=O)N2CC[C@H](n3nc(C)cc3C)C2)cc1OCCN 426737373 ISYNVIOJIMEFIN-INIZCTEOSA-N 358.442 1.933 0 50 FDAA O=C([C@@H]1CCCN1C(=O)NCCc1ccccc1Cl)N1CCOCC1 426599527 IBYKUIZNGXOBJL-INIZCTEOSA-N 365.861 1.915 0 50 FDAA COCc1cccc(C(=O)N[C@H]2C[C@@H](c3nnc(CN(C)C)n3C)C2)n1 223876429 WRPWOXGCEWSYPS-MQMHXKEQSA-N 358.446 1.094 0 50 FDAA O=C(CN1CCCCCCC1)N[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1O 426396385 ICTNZOJSLAVVJF-RTBURBONSA-N 373.497 1.644 0 50 FDAA Cc1nnnn1CCCN1C[C@H]2CN(C3CCCCC3)C[C@@]2(C(=O)O)C1 426414919 YVPYRZZAOOYJHT-YJBOKZPZSA-N 362.478 1.023 0 50 FDAA Cn1nccc1[C@@H](O)c1cc2n(n1)CCN(Cc1ccccc1C(=O)O)C2 221155340 GANFSLIXLIZWEC-SFHVURJKSA-N 367.409 1.412 0 50 FDAA CCc1cc(CN2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)n[nH]1 426445173 WFCVWENTKFPCCN-HNNXBMFYSA-N 373.505 1.312 0 50 FDAA Cc1noc(C)c1CN1CCc2c(C(=O)N[C@H](C)C(N)=O)csc2C1 426442831 DNJWHLVELGRJOX-SNVBAGLBSA-N 362.455 1.515 0 50 FDAA COc1ccc(OCCN2CCC3(CC2)[C@@H](C(=O)O)CC(=O)N3C)cc1 95364494 WUKHANWSBVMNSC-MRXNPFEDSA-N 362.426 1.472 0 50 FDAA Cc1ocnc1C(=O)N1CCC(c2nnc(Cn3ccnc3C)n2C)CC1 91551307 YCPDVJQAFPTEIQ-UHFFFAOYSA-N 369.429 1.685 0 50 FDAA CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H](c2nccn2CC(N)=O)C1 95520736 OSNOSRMTVCRWOE-CQSZACIVSA-N 372.473 1.728 0 50 FDAA COCCN1C[C@@H](CNC(=O)c2ccc(-c3ccc(C)nn3)cc2)CC1=O 426734499 MWWBRADOBRXFBI-OAHLLOKOSA-N 368.437 1.677 0 50 FDAA O=C(Cc1cc(O)nnc1O)N1CC[C@@]2(CCCN(CC3CCC3)C2)C1 426381408 GNVJOFQILYCMNO-LJQANCHMSA-N 360.458 1.545 0 50 FDAA O=c1nc(CN[C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)[nH][nH]1 292453858 YFEKSPXRUOJVPW-YOEHRIQHSA-N 370.384 1.778 0 50 FDAA O=C(C[C@H]1COCCN1)N1CCC(c2nccn2Cc2ccncc2)CC1 92022655 MZNIFYJWQSJIGC-SFHVURJKSA-N 369.469 1.411 0 50 FDAA COc1ccc([C@@H]2CN(C(=O)C(=O)c3cccn3C)C[C@H]2NC(C)=O)cc1 95518166 FMIBENIKOBXOPG-DLBZAZTESA-N 369.421 1.347 0 50 FDAA Cc1ccc(-c2nc(-c3cnc(N4CCOCC4)nc3)n(CC(=O)O)n2)o1 97756479 QEFAHYHGTFLKBR-UHFFFAOYSA-N 370.369 1.225 0 50 FDAA Cc1cc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)on1 92081772 MXMFNEOEKHOEAT-UHFFFAOYSA-N 369.425 1.632 0 50 FDAA CN1CC[C@H](N2CC3(CCC2=O)CCN(C(=O)c2cccn2C)CC3)C1 91746545 ASYKNXAMDPMEAV-INIZCTEOSA-N 358.486 1.574 0 50 FDAA NC(=O)CN1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 95496525 PKILICGCZPTZTA-LJQANCHMSA-N 372.513 1.308 0 50 FDAA CCc1cc(N2C[C@H]3CN(C4CCOCC4)C[C@@]3(C(=O)O)C2)nc(C)n1 96138687 YVJHPBPQWAOWIR-AUUYWEPGSA-N 360.458 1.349 0 50 FDAA CC(C)n1cc(CN(C)C(=O)[C@H](c2cccnc2)N2CCOCC2)cn1 97087992 DMVLNWBBAXOBKO-SFHVURJKSA-N 357.458 1.891 0 50 FDAA CC[C@@H](C)CNS(=O)(=O)c1ccc(C(=O)NCc2cnn(C)c2)cc1 91656434 GWPHLMQNOUNPFC-CYBMUJFWSA-N 364.471 1.675 0 50 FDAA O=C(CCc1nc2ccccc2[nH]c1=O)NC[C@H](CO)Cc1ccco1 97675504 LYPKGBGMROVUFE-CYBMUJFWSA-N 355.394 1.416 0 50 FDAA CN(Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)C[C@@H]1C(=O)N(C)C(=O)N1C 91944012 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0 50 FDAA COC(=O)[C@@H](C)NC(=O)CCc1nnc(CCc2ccc(OC)cc2)o1 19221956 DMOCIDHMYVLTSG-GFCCVEGCSA-N 361.398 1.474 0 50 FDAA Cc1ccc(OCC(=O)N2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)cc1 1857727594 VSFAVKMEYDRWIG-QKLQHJQFSA-N 358.438 1.958 0 50 FDAA O=C(c1cc(-c2ccccc2)on1)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1857739299 NTQARSQSTRVWPS-RHSMWYFYSA-N 350.378 1.807 0 50 FDAA Cc1cc(C)n(-c2cccc(CN3C[C@H]4[C@H](N)CS(=O)(=O)[C@H]4C3)c2)n1 1875242417 REWKVZSSKFZBIC-KSZLIROESA-N 360.483 1.045 0 50 FDAA Cc1noc(C)c1CC(=O)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1 328618929 FFNONANMYMJKKT-QGZVFWFLSA-N 371.441 1.824 0 50 FDAA CNS(=O)(=O)c1cc(C(=O)OCCn2ccnc2C)ccc1Cl 1875256175 IBRPDWDRRQTBMI-UHFFFAOYSA-N 357.819 1.610 0 50 FDAA COC[C@H]1C[C@H](O)CN1C(=O)Nc1cn(CC(F)(F)F)nc1C1CC1 1875318954 NHTMOWFFUMVKSX-MNOVXSKESA-N 362.352 1.936 0 50 FDAA Cc1nccc(C(=O)N[C@@H]2[C@@H]3CCCCN(C(=O)C[C@H]4CCCO4)[C@H]32)n1 1875345607 CYXSIPPHROQMIN-LTCOOKNTSA-N 358.442 1.463 0 50 FDAA Cc1cc2n(n1)CCN2C(=O)c1cc2[nH]c(-c3ccccc3)cc(=O)n2n1 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C[C@@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1nnnn1-c1ccccc1 115297847 SCQSWTFZCPPDJL-KGLIPLIRSA-N 368.441 1.631 0 50 FDAA CC[C@@H](Oc1ccccc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 987654 DWZFVQPJZYCYBK-QGZVFWFLSA-N 362.451 1.850 0 50 FDAA O=C(CCCn1cccn1)N1CC[C@@H](O)[C@](Cc2ccccc2)(C(=O)O)C1 2356142135 FYHKMRLXAAVJBC-YLJYHZDGSA-N 371.437 1.570 0 50 FDAA Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC[C@@]12CCCN(C1CC1)C2=O 2356152685 VXTLZDRCURXCOF-HXUWFJFHSA-N 357.454 1.762 0 50 FDAA O=C(c1cc2c(nc1O)CCCC2)N1CC[C@](O)(c2ccccc2)[C@@H](O)C1 2356158299 HFLAEABGVYUKDT-RXVVDRJESA-N 368.433 1.761 0 50 FDAA CCCN1CCC[C@@]2(CCCN2C(=O)Cn2c(C)cc(C)nc2=O)C1=O 2356167819 DHQLYRVOSORLOW-LJQANCHMSA-N 360.458 1.254 0 50 FDAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3cnc(N4CCOCC4)nc3)C[C@H]21 2356169410 AXWNXOWGTIBZAH-GMBSWORKSA-N 360.458 1.326 0 50 FDAA CN1CCN(NC(=O)COc2ccc(Br)cc2Cl)CC1 2872821 AGELJDHJMPDMTK-UHFFFAOYSA-N 362.655 1.760 0 50 FDAA O=C(O)c1ccc(S(=O)(=O)c2cc(C(=O)O)ccc2C(=O)O)cc1 3683791 ZZQLWVWUQYVDNC-UHFFFAOYSA-N 350.304 1.614 0 50 FDAA CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2OC)c1=O 4999874 RVLXJGPQTJMWBU-UHFFFAOYSA-N 353.378 1.830 0 50 FDAA O=C([C@@H]1C[C@@]12CCc1ccccc12)N1CCC[C@@H](N2CCNCC2=O)C1 249126958 JLCIBHGPHXDOPZ-PLMTUMEDSA-N 353.466 1.313 0 50 FDAA CCN(CCO)C(=O)C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl 59909661 BAWMUAQHYORQSP-HNNXBMFYSA-N 371.840 1.010 0 50 FDAA O=C(NCCCCN1CCC[C@H]1CO)c1cn(Cc2ccccc2)nn1 134079016 BVMWLXXJNVQQNX-KRWDZBQOSA-N 357.458 1.293 0 50 FDAA CN(C)[C@H](C(=O)N1CCC(O)(CN2CCCC2)CC1)c1ccccc1F 65398127 GMWOCFRAGADRCD-SFHVURJKSA-N 363.477 1.878 0 50 FDAA Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1 172921837 BGDIAUKCXVZHHE-ACJLOTCBSA-N 354.454 1.915 0 50 FDAA O=C1CCCN1CC1CCN(C(=O)c2ccc(N3CC[C@H](O)C3)nc2)CC1 67908266 YDHHPVUMLRDVEJ-KRWDZBQOSA-N 372.469 1.127 0 50 FDAA CCS(=O)(=O)Cc1nc2c([nH]1)C[C@@H](c1ccc(F)cc1)CNC2=O 65385351 BEJCXOIHGOYNQR-LLVKDONJSA-N 351.403 1.553 0 50 FDAA CN1CCCn2nc(C(=O)NCc3ccccc3Cn3cccn3)cc2C1 65527194 NQORQGQAJBZFPS-UHFFFAOYSA-N 364.453 1.893 0 50 FDAA CCN(C(=O)c1cc(COc2c(F)cccc2F)on1)[C@H]1COC[C@@H]1O 67920012 YPTIJEFZDNADQD-GJZGRUSLSA-N 368.336 1.754 0 50 FDAA CC[C@@H](NC(=O)c1cn2c(n1)CNCC2)c1ccc(S(C)(=O)=O)cc1 72149998 PLIYUJBDNZCIQL-CQSZACIVSA-N 362.455 1.271 0 50 FDAA CN(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)c1ccc(-c3cc[nH]n3)cc1)C2 72164812 CKZGEYNVGIMXOO-UHFFFAOYSA-N 364.409 1.425 0 50 FDAA O=C(Nc1cnn(-c2ncccn2)c1)[C@H]1CC(=O)N(Cc2ccccc2)C1 151839934 YWMMHXCWBBRCKO-HNNXBMFYSA-N 362.393 1.650 0 50 FDAA C[C@@H](Cc1cccc(F)c1)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 152687105 JKCWEUYWCORDQL-YJBOKZPZSA-N 361.461 1.769 0 50 FDAA COc1ccc(CN2CCN(C(=O)c3cc(C)c(C)[nH]c3=O)CC2=O)cc1 77555816 OAJIDWNQELLOEK-UHFFFAOYSA-N 369.421 1.485 0 50 FDAA O=C(c1cc2n(n1)CCO2)N1CCOC[C@@H]1c1ncnn1-c1ccccc1 365666349 ZOTBWHCPTMEDFL-OAHLLOKOSA-N 366.381 1.070 0 50 FDAA O=C1C[C@@H](C(=O)N2CCN(c3nccs3)CC2)CN1Cc1ccccn1 31604358 PLGZBIHMLYZVAH-CQSZACIVSA-N 371.466 1.235 0 50 FDAA O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCO[C@H](CO)C1 332688827 QLECDMUJWWKUHN-VIFPVBQESA-N 354.819 1.505 0 50 FDAA COc1ccc([C@@H](CC(=O)N2CCN3C(=O)CC[C@@H]3C2)NC(C)=O)cc1 332783223 DWWRRCNOPZJVHM-NVXWUHKLSA-N 359.426 1.096 0 50 FDAA CN1CC(=O)N(CC(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)C1=O 370019591 LPBVRRLXFNZUPK-AULYBMBSSA-N 369.343 1.962 0 50 FDAA Cn1c(O)nc2ccc(C(=O)N3CCC(n4ncc5c4CNC5)CC3)cc21 333634693 WGMZVAGXJIANQR-UHFFFAOYSA-N 366.425 1.556 0 50 FDAA COc1ccc(CNc2nc(N(C)C)nc3c2CCNCC3)c(OC)c1 72480038 MLJXLEAWZDGGAG-UHFFFAOYSA-N 357.458 1.860 0 50 FDAA COc1ccc2cc(C(=O)N[C@@H]3CCOC[C@H]3OCC(=O)O)n(C)c2c1 218274504 VYVWIRNAVNMXTI-CZUORRHYSA-N 362.382 1.175 0 50 FDAA COc1nc2c(cc1CNC(=O)C(C)C)C(=O)N(CCc1ccccn1)C2 71755211 IXNFLRUEQXZURH-UHFFFAOYSA-N 368.437 1.956 0 50 FDAA CN(C)Cc1nnc([C@@H]2CCCN(C(=O)c3cnc(C4CC4)nc3)C2)n1C 72438834 GCVGHEKVEHJSKP-CQSZACIVSA-N 369.473 1.564 0 50 FDAA Cc1ccc2oc(C(=O)N3CCN(C)[C@@H]4CS(=O)(=O)C[C@@H]43)c(C)c2c1 77470913 LKJUXHMELWQQOE-CABCVRRESA-N 362.451 1.603 0 50 FDAA O=C(Nc1nc(-c2ccccn2)cs1)c1cn(C2CCNCC2)nn1 238099762 GJLSJXSJOKQAPC-UHFFFAOYSA-N 355.427 1.973 0 50 FDAA O=C(O)[C@@H]1CN(C(=O)c2cc3ccc(Br)cc3[nH]2)CCO1 262988125 OAGHXQKFKGDGAM-LBPRGKRZSA-N 353.172 1.856 0 50 FDAA CS(=O)(=O)N1CCC[C@@H](C(=O)NCCSCc2ccccc2)C1 44388385 ZUZAMKOUPUCEMG-OAHLLOKOSA-N 356.513 1.708 0 50 FDAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NS(=O)(=O)c1cc(OC)c(C)cc1C 223637531 ULAGMQVYRCFUOH-IXKJSCDLSA-N 355.456 1.640 0 50 FDAA CCOc1cc(CN[C@@H]2CCC(=O)N[C@H]2c2cncn2C)ccc1OC 284502923 KMRTUWXQTCVWKS-AUUYWEPGSA-N 358.442 1.937 0 50 FDAA CN(Cc1cc(-c2cccnc2)no1)C(=O)NCCN1CCCOC1=O 426472750 NFVOFEWPIPUQGX-UHFFFAOYSA-N 359.386 1.720 0 50 FDAA O=C(O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(c2ccccc2Cl)CC1 226417354 PJKAOVHQCWZPOZ-LVQVYYBASA-N 364.829 1.867 0 50 FDAA COc1cccc(N2CCN(C(=O)[C@@H](C)Cn3nc(C)nc3C)CC2=O)c1 82087806 JEJGBNBLGJMDNX-ZDUSSCGKSA-N 371.441 1.415 0 50 FDAA C[C@@H](C(=O)N1CCC(c2nc(N)n[nH]2)CC1)N1CCc2ccccc2C1 426477690 GVCHCPORLINDAJ-ZDUSSCGKSA-N 354.458 1.540 0 50 FDAA CN1C(=O)[C@H](CC(=O)N2CCC3(CCc4ccccc43)CC2)N(C)C1=O 97758007 NMJVZCYFSYNSOP-INIZCTEOSA-N 355.438 1.776 0 50 FDAA C[C@H](O)CN1CC2(CCC1=O)CCN(C(=O)CCc1cccnc1)CC2 91770715 QNDYZEIYQIYVSG-INIZCTEOSA-N 359.470 1.626 0 50 FDAA CN(CCc1ncnn1-c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 91412425 ZRKXRKSXYIRDSV-LBPRGKRZSA-N 354.863 1.582 0 50 FDAA Cc1noc(CN2CCC(c3nnc(Cn4cccn4)n3C3CC3)CC2)n1 92062152 WHUCCSBWZIKGDB-UHFFFAOYSA-N 368.445 1.929 0 50 FDAA O=C(O)Cn1nccc1[C@H]1CCCN(C(=O)CCc2cc(Cl)no2)C1 426507899 OCJHIYMDAOQDPL-NSHDSACASA-N 366.805 1.948 0 50 FDAA Cc1cc(N2CCC(NCc3nnc4ccccn34)CC2)nc(N(C)C)n1 95517189 IZVWXPRQDRPURY-UHFFFAOYSA-N 366.473 1.652 0 50 FDAA CCn1nc(CO)c2c1CCN(C(=O)c1cnc(-c3cccnc3)nc1)C2 95359124 RGBSEQOIRLXHPV-UHFFFAOYSA-N 364.409 1.446 0 50 FDAA O=C(NCCc1nc2ccccc2[nH]1)[C@@H]1CC(=O)N(Cc2cccnc2)C1 95387394 UGOOVHFJLDDPMK-OAHLLOKOSA-N 363.421 1.665 0 50 FDAA CCCc1ncncc1-c1nc(CC(N)=O)nn1-c1ccccc1OC 96163243 CXXAYVNRXLPYDA-UHFFFAOYSA-N 352.398 1.713 0 50 FDAA CCc1nnc(N2CCC(c3nnc(Cn4cncn4)n3C)CC2)s1 91451973 VFGFANGPGOHWLN-UHFFFAOYSA-N 359.463 1.253 0 50 FDAA O=C(CCCc1cccs1)N1CCC2(CC1)[C@@H](OCCO)C[C@H]2O 91664176 RPXDMGGDQOYNIT-CVEARBPZSA-N 353.484 1.822 0 50 FDAA COCCN1CC[C@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)C1 97602299 TVQREMSIXLFZCC-FKIZTMCRSA-N 357.498 1.812 0 50 FDAA CCCS(=O)(=O)N[C@H]1CN(C2CCN(C(C)=O)CC2)C[C@@H]1C(C)C 91986047 DDVDMSWOOMOZSU-SJORKVTESA-N 359.536 1.283 0 50 FDAA Nc1ccnc(N2CC[C@]3(O)CCN(C(=O)C4CCCCC4)C[C@@H]3C2)n1 91987576 PPSGLQYXXMVTDG-DNVCBOLYSA-N 359.474 1.429 0 50 FDAA CNc1cc([C@H]2C[C@@H](NC(=O)c3cc(C(F)(F)F)nn3C)C2)nc(N)n1 244872888 WGHQEDOICWVBFT-OCAPTIKFSA-N 369.351 1.529 0 50 FDAA CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CC[C@@H]([C@@H](C)O)C1 181091988 HPRJPMBUISEOMN-HSMVNMDESA-N 354.397 1.949 0 50 FDAA COc1ccccc1N1CCN(c2cc([C@H]3CCOC3)nc(N)n2)CC1 299788270 TYEWYTXZMLBJDF-AWEZNQCLSA-N 355.442 1.898 0 50 FDAA O=C([C@H](c1cccnc1)N1CCCC1)N1CCc2ncnc(O)c2CC1 299781547 LFSJEDJVYZSMNC-KRWDZBQOSA-N 353.426 1.342 0 50 FDAA CC(C)NC(=O)CN1CCN(C(=O)Nc2ccc3c(cnn3C)c2)CC1 299755698 BQOWNOJBIJMOJP-UHFFFAOYSA-N 358.446 1.247 0 50 FDAA Cc1nc2c(c(=O)n1C)CCN(C(=O)c1cc(-c3cccn3C)n[nH]1)CC2 299761395 WCGXPTYMQIAHMA-UHFFFAOYSA-N 366.425 1.058 0 50 FDAA O=C(c1cccc(-n2cccn2)c1)N1CC[C@@H](Nc2ncccn2)[C@H](O)C1 299774769 JCHCDQQWCXITBT-IAGOWNOFSA-N 364.409 1.350 0 50 FDAA CNC(=O)c1ccc(CNC(=O)N(C)Cc2noc(CC(C)C)n2)cc1 584886894 GWKLPFDCZHUXJU-UHFFFAOYSA-N 359.430 1.969 0 50 FDAA O=C(NC[C@@H]1CC2(CCNCC2)CO1)c1ccccc1N1CCOCC1 877330909 IWFQVRNIGQUILK-INIZCTEOSA-N 359.470 1.412 0 50 FDAA Cc1ncnc(N2CCN(C(=O)c3ccccc3-n3cncn3)CC2)c1C 952967278 JHUGVYGQPAJRSA-UHFFFAOYSA-N 363.425 1.637 0 50 FDAA CN(C)C(=O)N1C[C@@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@]2(C(=O)O)C1 96148669 WEYMHCWKLMKUCI-NHYWBVRUSA-N 372.347 1.605 0 50 FDAA Cc1noc(C)c1CN1CC[C@H](NC(=O)CCc2ccc(O)cc2)[C@@H](O)C1 1565516506 KFPJYINIAFIKMU-OALUTQOASA-N 373.453 1.681 0 50 FDAA CN1CC[C@@H]2CN(C(=O)c3cc4c(nc3O)CCCC4)C[C@]2(C(=O)O)C1 1565512928 CAUNSLAMWLBVLC-BFUOFWGJSA-N 359.426 1.145 0 50 FDAA O=C(Cn1ncc2ccccc21)N[C@H]1COCC[C@@H]1Oc1ccccn1 1565509323 YEIJVLDUISXSMB-RDJZCZTQSA-N 352.394 1.784 0 50 FDAA CCOc1ccnc(N2CCN(C(=O)[C@@H]3COc4ccccc4C3)CC2)n1 303413480 VLNGSVBMIMLWFD-INIZCTEOSA-N 368.437 1.775 0 50 FDAA CC(=O)N1CCc2cc(S(=O)(=O)N3C[C@@H](O)Cc4ccccc43)ccc21 278840288 ZPRMONSFKDWYNN-INIZCTEOSA-N 372.446 1.708 0 50 FDAA Cc1ccc(CNC(=O)N2CCO[C@H](Cc3ccccc3)C2)c(=O)n1C 279077765 RRLKRLFZFFFVHD-GOSISDBHSA-N 355.438 1.847 0 50 FDAA CC(C)Oc1ccc(C(=O)OCCCn2nc3ccccn3c2=O)cn1 170633953 SYZVNBJASZXQNK-UHFFFAOYSA-N 356.382 1.925 0 50 FDAA COc1ccccc1-c1nc(C2CCN(C(=O)c3c[nH]nn3)CC2)no1 190197124 ZQPPZQWATZOHHP-UHFFFAOYSA-N 354.370 1.883 0 50 FDAA Cc1ccc(C)c([C@H](C(=O)O)N2CCN(c3ncccc3C(N)=O)CC2)c1 1506397740 WXRDKFVWOGWGGE-QGZVFWFLSA-N 368.437 1.745 0 50 FDAA O=C1[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccccc1I 222253104 AGMFLMVSSRHZDV-KKOKHZNYSA-N 367.142 1.734 0 50 FDAA Cn1ccnc1[C@H](O)C1CCN(c2cncc(C(=O)N3CCCC3)n2)CC1 1529099530 AJNBZRPPLYXCQV-QGZVFWFLSA-N 370.457 1.396 0 50 FDAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(Cc1ccc(Cl)c(F)c1)C2 213244918 HTJGVUJVSZHHRI-KGLIPLIRSA-N 367.852 1.990 0 50 FDAA O=C(c1cccc(F)c1F)N1CC[C@H]2[C@H](CCC(=O)N2CCCO)C1 215450550 JIAOTQBYRDDZAU-DOMZBBRYSA-N 352.381 1.800 0 50 FDAA CNC(=O)[C@@H](C)NC(=O)c1c(N2CCCC2)noc1-c1ccc(OC)cc1 1704313201 IFZMWWYVIDGBEU-GFCCVEGCSA-N 372.425 1.815 0 50 FDAA Cc1nc[nH]c1CN1C[C@H]2COC[C@@H]1CN(C(=O)CCc1cccnc1)C2 1704314428 QPERSFHIPULKDP-MSOLQXFVSA-N 369.469 1.405 0 50 FDAA Cc1cc(C)c(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1C 1704326423 WPVROZIKMOIRIV-GOEBONIOSA-N 354.472 1.248 0 50 FDAA COc1ccccc1-n1cc(CN2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)cn1 1704310139 PHBZOASHPGIHMT-HDICACEKSA-N 357.366 1.242 0 50 FDAA CN(Cc1nc(O)c2sccc2n1)c1nccc(N2CCC[C@@H](O)C2)n1 1704325012 BRWYINWSLHYHCL-LLVKDONJSA-N 372.454 1.784 0 50 FDAA Cc1ccc(CC(=O)N2CCCN(c3ccc(C(=O)O)nn3)CC2)cc1 1772806394 DVXSOSWBXRIOKX-UHFFFAOYSA-N 354.410 1.765 0 50 FDAA CCN(Cc1nccn1C)C(=O)c1ccc(N2CC[C@@H](N(C)C)C2)nc1 11664297 SCAZAFPXTFCHAC-MRXNPFEDSA-N 356.474 1.618 0 50 FDAA C/C=C/COc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F 2488369 FHKDOCSUWATKEH-SNAWJCMRSA-N 358.373 1.576 0 50 FDAA biogenic O=C1CCC(C(=O)N2CCO[C@@H](Cc3cccc4ccccc34)C2)=NN1 12111879 COHCYXCBKGPGME-INIZCTEOSA-N 351.406 1.876 0 50 FDAA COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CNC2CCC2)c1 12745072 JMYONHNZBANKNH-GOSISDBHSA-N 364.486 1.534 0 50 FDAA CC(C)CNC(=O)[C@@H]1C[C@H](CN2CCCC2)CN(Cc2nccn2C)C1 14752404 ZBCAVXWYRBQXSB-QZTJIDSGSA-N 361.534 1.726 0 50 FDAA O=C([C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)C1)N1CCCC1 14944065 VGTWZZZCXHUEAS-PBHICJAKSA-N 373.428 1.792 0 50 FDAA O=C(NCCCN1CCC[C@@H](O)C1)c1cn(Cc2ccc(F)cc2)nn1 15070465 GCGHEEQFAUDLPP-MRXNPFEDSA-N 361.421 1.042 0 50 FDAA Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)cs2)no1 16647664 SCQVTPNUOIGQOB-UHFFFAOYSA-N 370.456 1.233 0 50 FDAA CCS(=O)(=O)NC[C@H]1[C@H]2CN(Cc3cccc(F)c3)C[C@]23CC[C@H]1O3 1857720227 KDUAKUNADYKEQD-BSDSXHPESA-N 368.474 1.744 0 50 FDAA COc1cc(C)c(CN2C[C@H]3[C@H](N(C)C)CS(=O)(=O)[C@H]3C2)cc1C 1857733683 UMVYGZSGVOMQFL-JZXOWHBKSA-N 352.500 1.471 0 50 FDAA NC(=O)C1CCC(NC(=O)N2CC(O)(c3ccc(Cl)cc3)C2)CC1 812094021 MAJWTXYJBJYAAO-UHFFFAOYSA-N 351.834 1.597 0 50 FDAA O=C(O)CNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 2556583 FBKUOPULLUJMOC-UHFFFAOYSA-N 354.362 1.726 0 50 FDAA in-vitro COc1cccc2c1CC[C@@H](N[C@@H]1CCC(=O)N[C@H]1c1ccnn1C)C2 497463651 PQDCKPKMMFRDLA-AKCHCHLHSA-N 354.454 1.896 0 50 FDAA NCC(F)(F)CC(=O)N1CC[C@](c2nc(C3CC3)no2)(C(F)(F)F)C1 952895087 SPIOTNQNBGCQNY-LBPRGKRZSA-N 368.306 1.964 0 50 FDAA CNc1nc(C)cc(C(=O)N2CCOC3(CN(CC4CCCC4)C3)C2)n1 952892784 DGDHPDFXPSASHT-UHFFFAOYSA-N 359.474 1.544 0 50 FDAA CNC(=O)c1cc(CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)n2c1CCCC2 952890875 LIRSJOWAEOJKCL-JKSUJKDBSA-N 359.470 1.863 0 50 FDAA O=C(O[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc2n(n1)CCCC2=O 1875293311 LQCQQMVXAAADOU-AWEZNQCLSA-N 353.378 1.818 0 50 FDAA CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)C(=O)c1cccc([C@H](N)CO)c1 1875287445 KTKIIQHHBIMRDG-QZTJIDSGSA-N 369.421 1.776 0 50 FDAA NC(=O)[C@H](NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccccc1 1875309730 LBBDDHCELYZADQ-HNAYVOBHSA-N 369.421 1.127 0 50 FDAA Cc1ccc(-n2nnnc2N(C)C[C@@H](C)NC(=O)c2cc(C)[nH]n2)cc1 1875333902 PESMGCLIZGUXEG-CYBMUJFWSA-N 354.418 1.257 0 50 FDAA CC(=O)NCc1cc(O[C@@H]2CCN(C(=O)c3nccc(C)n3)C2)ccn1 888079130 CCFUZONZWGBGRN-MRXNPFEDSA-N 355.398 1.110 0 50 FDAA Cn1cc(O[C@@H]2CCC[C@@H]2NC(=O)c2ccnn2C2CCOCC2)cn1 888095381 ZFIXQJSIHAUTLD-DOTOQJQBSA-N 359.430 1.698 0 50 FDAA C[C@@H]1CN(c2ccnc(-c3cncc(Br)c3)n2)C[C@@H](CO)O1 2325792918 VLVKTWHTPRGDLR-MFKMUULPSA-N 365.231 1.887 0 50 FDAA C[C@H]1[C@H](O)CCCN1C(=O)c1c[nH]nc1-c1cccc(-c2nn[nH]n2)c1 2325825997 LCYCPKURVLIKAY-IINYFYTJSA-N 353.386 1.242 0 50 FDAA Cc1ccc(C(=O)N(C)CCN(C)C(=O)c2nnn(C(C)C)c2C)cc1N 2325851180 RGOYHALECQAGHS-UHFFFAOYSA-N 372.473 1.902 0 50 FDAA CC(C)(F)C(=O)NCC1(F)CN(C(=O)c2ccc3c(c2)CC(=O)N3)C1 2325879638 BVANRSWDCHCLLI-UHFFFAOYSA-N 351.353 1.210 0 50 FDAA Cc1ccc(C2=NN=C(NC(=O)CSc3nncn3C)SC2)cc1 1078380 KUYXDMNXQLYCLY-UHFFFAOYSA-N 360.468 1.839 0 50 FDAA CCN1C(=O)c2ccc(S(=O)(=O)c3ccc(C(=O)O)cc3)cc2C1=O 1161853 OJRISWXCYRREQV-UHFFFAOYSA-N 359.359 1.834 0 50 FDAA O=S1(=O)CC[C@@H](S(=O)(=O)Nc2c(F)c(F)c(F)c(F)c2F)C1 4336730 DYUNSVFKEHBSDN-SCSAIBSYSA-N 365.301 1.311 0 50 FDAA COc1cc(CNCCCO)ccc1OCC(=O)NCc1ccccc1 4867849 ZPDHXTQVKDSOCZ-UHFFFAOYSA-N 358.438 1.862 0 50 FDAA COC[C@@H](C)N1C[C@@H](C(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1=O 8245432 NDMWTCDCXSLXGJ-NEPJUHHUSA-N 366.414 1.534 0 50 FDAA CCOCCn1c(=O)n(Cc2cc(CC)no2)c2cc(C(=O)O)cnc21 55090171 FJGKSNGULZLQDQ-UHFFFAOYSA-N 360.370 1.531 0 50 FDAA COc1ccccc1NCCn1c(C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 9421373 CHWXFKCTQQNIDN-UHFFFAOYSA-N 368.397 1.105 0 50 FDAA COCCOC1CCN(C(=O)CN2C(=O)CC3(CCCC3)CC2=O)CC1 20864476 LXPFOVDPUYXHLX-UHFFFAOYSA-N 366.458 1.350 0 50 FDAA Cc1[nH]c2c(F)cccc2c1CC(=O)N1C[C@H](N)C[C@H]1C(=O)NC(C)C 67675834 SYPOBRXHEDKXRW-WBMJQRKESA-N 360.433 1.611 0 50 FDAA O=C(c1ccc(-n2cnnn2)cc1)N1CCN(c2ccccc2F)CC1 20744448 YKEPTZZWGYLJGW-UHFFFAOYSA-N 352.373 1.764 0 50 FDAA COC(=O)c1ccc(C(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2)nc1 20999119 ZEMFFLQFVSKJEM-INIZCTEOSA-N 353.378 1.052 0 50 FDAA O=C1NCCN1c1ccc(CN2CCC[C@H](N3CCC(CO)CC3)C2)cc1 22852886 KCENZATXPUCTJM-FQEVSTJZSA-N 372.513 1.885 0 50 FDAA CCn1ccnc1CNC(=O)[C@@]12CNC[C@@H]1CN(Cc1ccccc1)C2 65425353 QHWZCAOZXSUXSE-YLJYHZDGSA-N 353.470 1.241 0 50 FDAA CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C(=O)N(C)C)cc2)C1 65365088 TZXYULGFVPFVQF-CQSZACIVSA-N 367.471 1.389 0 50 FDAA NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(F)c2)cc1 1034781 OAIFTIADQQIQME-UHFFFAOYSA-N 362.379 1.091 0 50 FDAA O=C(O)C(=O)Nc1cc(C(F)(F)F)cc(NC(=O)C(=O)O)c1Cl 39333569 DIJMHGOKYQVRAM-UHFFFAOYSA-N 354.624 1.405 0 50 FDAA Cc1nnc(CN2CCC[C@@H]2c2nc(C(=O)NC3CC3)no2)n1C1CC1 328651451 VXHIWWBXIQPQJY-CYBMUJFWSA-N 357.418 1.534 0 50 FDAA CCCn1c(-c2cccc(OC)c2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 4632211 WEFITJXWGSPYDP-UHFFFAOYSA-N 367.409 1.772 0 50 FDAA CC[C@H](NS(=O)(=O)c1cccc(C(=O)NCCF)c1)c1cnn(C)c1 216181217 PGKYNJLKYXJWGF-HNNXBMFYSA-N 368.434 1.549 0 50 FDAA COc1ccc(C(=O)N2CC3(CCN(C(C)=O)CC3)C[C@@H]2C(=O)O)cc1C 72431107 HDSNZUQXZKUWLC-MRXNPFEDSA-N 374.437 1.931 0 50 FDAA CN(C)c1nccc([C@H]2CN(C(=O)c3cccc4c[nH]nc34)CCO2)n1 328616135 BJVGDUKANXFTFY-OAHLLOKOSA-N 352.398 1.633 0 50 FDAA CC(=O)N(CC(=O)O)[C@@H]1CCCN(C(=O)Cc2c[nH]c3ncccc23)CC1 328648942 UURRHJKBNNBZAR-OAHLLOKOSA-N 372.425 1.420 0 50 FDAA O=C(CCn1cnc2ccccc21)N1CCC(N2CCC[C@@H](O)C2)CC1 72472827 RMTSTPMBNJMRST-QGZVFWFLSA-N 356.470 1.874 0 50 FDAA NS(=O)(=O)c1ccsc1C(=O)N[C@@H]1CC(=O)Nc2ccccc21 215464666 CQGRGZPGHAUKAL-SNVBAGLBSA-N 351.409 1.209 0 50 FDAA CCc1cnc(CNS(=O)(=O)c2ccc(C(=O)O)cc2OC)s1 323048102 HUQCKFSVRXXRHF-UHFFFAOYSA-N 356.425 1.891 0 50 FDAA O=C(c1cn(Cc2c(F)cccc2F)nn1)N1CCN2CCCC[C@H]2C1 72129475 FRCRDXFWZCSIIY-ZDUSSCGKSA-N 361.396 1.915 0 50 FDAA CNC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)c1 363493145 MENWSMGWFMKRHZ-SJORKVTESA-N 360.458 1.811 0 50 FDAA O=c1[nH]cc(S(=O)(=O)N2CCCC[C@@H]2CCc2cccs2)c(=O)[nH]1 77376740 DWWIDFCAHZAVKA-LLVKDONJSA-N 369.468 1.301 0 50 FDAA CCNC(=O)c1ccnc(N2CCC(C(=O)O)(n3cc(C)cn3)CC2)c1 72428046 FURDLKUXALQXPF-UHFFFAOYSA-N 357.414 1.417 0 50 FDAA O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1cn2c(n1)CCCC2 442012941 PPIYFZSNHUAQNU-UHFFFAOYSA-N 353.426 1.649 0 50 FDAA Cn1ncc(N2CCN(C(=O)CCCOCc3ccccc3)CC2)cc1=O 218970549 VJAZVPFWFQHUKT-UHFFFAOYSA-N 370.453 1.426 0 50 FDAA COc1c(F)cc(CN2CCN(C)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl 72424941 LZHAKSPKDCAFGG-KGLIPLIRSA-N 362.854 1.401 0 50 FDAA c1csc(CN2CCN(c3nccc(N[C@H]4CCCOC4)n3)CC2)c1 333284278 QDPTXROVMPKVPN-HNNXBMFYSA-N 359.499 2.451 0 50 FDAA C[C@@H]1CN(S(=O)(=O)N2CCc3ccccc3C2)C[C@@]2(CCO[C@@H]2C)O1 333302368 MAVKEKBJBJJYCB-IIDMSEBBSA-N 366.483 1.558 0 50 FDAA CC(C)c1nc2ccccc2n1CC(=O)N1C[C@H]2C[C@H](O)[C@@H](O)C[C@H]2C1 426658217 KVUCSFYEHXQKKW-DACLVMHWSA-N 357.454 1.750 0 50 FDAA Cn1nccc1[C@@H](O)c1cc2n(n1)CCN(Cc1nc3ccccc3[nH]1)C2 220713056 MZXLIPVNPMUZQD-IBGZPJMESA-N 363.425 1.590 0 50 FDAA Cc1ccc([C@@](C)(O)CNC(=O)c2ccccc2NS(C)(=O)=O)o1 176727224 MRZHIFLGTBHLJO-INIZCTEOSA-N 352.412 1.597 0 50 FDAA CCOC(=O)c1cc(C)nc2c1c(=O)n(Cc1cccc(C)c1)c(=O)n2C 20168603 DMNOSXSQWPPZIX-UHFFFAOYSA-N 367.405 1.937 0 50 FDAA N[C@H]1C[C@@H](c2cc(N3CCN(c4ccc5nccn5n4)CC3)ncn2)C1 223354657 AJRYGAACYVXTQV-HDJSIYSDSA-N 350.430 1.051 0 50 FDAA Cc1cc2n(n1)CCN(C(=O)NC[C@@H](c1ccccn1)N1CCOCC1)C2 426535441 IZNVDXFJQKNOPJ-SFHVURJKSA-N 370.457 1.185 0 50 FDAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1c(Cl)c(C(F)(F)F)nn1C 222681102 LIQPFBIKCSWGGZ-QJSROADHSA-N 367.755 1.872 0 50 FDAA CCn1ncnc1[C@@H](NC(=O)c1cn(C(C)C)cc(C(=O)O)c1=O)C1CC1 426475445 PBELRTNOMRCGIT-AWEZNQCLSA-N 373.413 1.620 0 50 FDAA C[C@H](O)CN1CC2(CCC1=O)CCN(C(=O)c1ccc3[nH]nnc3c1)CC2 91655802 JYSLNCFJLRMLNZ-ZDUSSCGKSA-N 371.441 1.184 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(C)s2)CN1Cc1c[nH]cn1 96132354 YAZRZILWHFXGGJ-JSGCOSHPSA-N 361.471 1.289 0 50 FDAA NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCN(C(=O)C2CCC2)CC1 91487009 DWTCXVKTRALFAG-KRWDZBQOSA-N 357.454 1.238 0 50 FDAA CC(=O)NC[C@@H]1CCC2(CCN(c3nc4c(s3)c(C)nn4C)CC2)O1 96180603 CLKKGUKLNAVCEV-ZDUSSCGKSA-N 363.487 1.992 0 50 FDAA Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCCC[C@@H]2[C@H]2CCNC2)c1 333886097 XFDRCHOODKGLGG-DZGCQCFKSA-N 351.472 1.247 0 50 FDAA CCOCC(=O)N1CCC(C(=O)N2C[C@H](c3ccccc3)[C@@H](N)C2)CC1 91519094 POQDGXBIVGZHCD-MSOLQXFVSA-N 359.470 1.215 0 50 FDAA NC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)c2cc3ccccc3cn2)C1 95519649 BZBNLTKPUHERJU-INIZCTEOSA-N 363.421 1.936 0 50 FDAA COCC(=O)N1C[C@H](C2CC2)[C@@H](NC(=O)C2=Cc3ccccc3OC=C2)C1 95378958 QFGIFHNDBOYLFA-MSOLQXFVSA-N 368.433 1.976 0 50 FDAA Nc1ncc(C(=O)N2Cc3nc[nH]c3C[C@H]2C(=O)O)c(-c2ccccc2)n1 95519655 OQWZVLWBRCCUDC-AWEZNQCLSA-N 364.365 1.101 0 50 FDAA CCC[C@H]1CN(Cc2cccc(Cl)c2)C[C@@H]1NC(=O)CNC(N)=O 91585981 BSPCKKLXRANUCN-ZFWWWQNUSA-N 352.866 1.725 0 50 FDAA Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 244601957 DUZMUTQRUPKHGW-VNQPRFMTSA-N 364.471 1.092 0 50 FDAA CN(C)[C@H](C(=O)NCCc1noc(C2CC2)n1)c1ccc2c(c1)OCO2 244874858 XIKBAGKYZBAIDI-INIZCTEOSA-N 358.398 1.637 0 50 FDAA Cn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)C2=Cc3cc(Cl)ccc3OC2)C1 244795840 ROLZANBUWGZDSZ-VDISTLRHSA-N 374.828 1.799 0 50 FDAA CCn1c(CN2CCN(C(=O)c3cccs3)CC2)nnc1[C@H]1C[C@H](N)C1 244633176 FYIBGWKOZYBKKV-HDJSIYSDSA-N 374.514 1.522 0 50 FDAA C[C@@H]1CC[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@]12CC[C@@](CO)(CC(=O)O)O2 242688209 VKNLNUXZCWSEOI-KLEXHFHZSA-N 370.486 1.947 0 50 FDAA biogenic COCCN1C(=S)N[C@H]2c3cccc(OC)c3O[C@@]1(C)[C@H]2C(=O)OC 245257923 IDYKQZRASYVKHL-IGCXYCKISA-N 366.439 1.471 0 50 FDAA CCc1nc(C(=O)N2CCOC[C@@H]2C(=O)O)nn1-c1ccccc1Cl 299749538 KQIWWXYNOXHJBA-GFCCVEGCSA-N 364.789 1.409 0 50 FDAA CN(C)S(=O)(=O)CCNC(=O)CO[C@@H](c1ccccc1)C(F)(F)F 252499241 RXRFQNNSYSJZNE-ZDUSSCGKSA-N 368.377 1.314 0 50 FDAA O=C(O)c1ccc(S(=O)(=O)N[C@@H](c2ccccn2)[C@H]2C[C@H](O)C2)cc1 252522877 BIRLVOGLZUMSHP-XJKCOSOUSA-N 362.407 1.570 0 50 FDAA Cn1c(CO)nnc1[C@@H]1CCCN(Cc2nc(O)c3sccc3n2)C1 253536562 HZIGQFFDKNSDOX-SNVBAGLBSA-N 360.443 1.397 0 50 FDAA CC1=C(S(=O)(=O)NC2(Cc3ccc(C)cc3)CC2)CS(=O)(=O)C1 534667013 SNLAJIIPYSZNDF-UHFFFAOYSA-N 355.481 1.692 0 50 FDAA CCCN1C[C@@H](NC(=O)N2CCN(CCc3ccccc3)C(=O)C2)CC1=O 534667426 JRZGLPXENSVPLX-KRWDZBQOSA-N 372.469 1.094 0 50 FDAA O=C(CN1CCN(c2ncccn2)CC1)Nc1ccc(C(F)(F)F)cn1 1940198031 IOQCXXHESKXVGX-UHFFFAOYSA-N 366.347 1.651 0 50 FDAA NCCCOc1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccc(F)cc2)cc1 299790790 CPWNXSVTHJJJCP-GOSISDBHSA-N 371.412 1.867 0 50 FDAA COC(=O)c1cc(NC(=O)N(C)Cc2nc(C)no2)cc(C(=O)OC)c1 299771687 VRFKKHDWFZALKN-UHFFFAOYSA-N 362.342 1.615 0 50 FDAA O=C(NCc1cccc(-c2nnn[nH]2)c1)[C@@H]1CCCN(Cc2ccco2)C1 299785869 KVAHBXGCTFPJNQ-MRXNPFEDSA-N 366.425 1.988 0 50 FDAA COCC(=O)NCc1cc2n(n1)CCN(Cc1cc(C)cc(C)c1OC)C2 299791253 CEXIMYMIPKOZNA-UHFFFAOYSA-N 372.469 1.787 0 50 FDAA CN(C[C@@H]1Cc2ccccc2O1)C(=O)NCCS(=O)(=O)N1CCCC1 584896816 WQJNYDZVINWLTP-HNNXBMFYSA-N 367.471 1.057 0 50 FDAA COc1ccc(-c2cc(CNC(=O)N3CCN(CCO)CC3)no2)cc1 584895217 HJUVKSBEZAEBIL-UHFFFAOYSA-N 360.414 1.170 0 50 FDAA O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCS(=O)(=O)C2(CCCCC2)C1 267980039 OFPJKWNONBICMP-UHFFFAOYSA-N 363.439 1.430 0 50 FDAA CC1(C)CN(c2cc(-c3ccccc3)nc3ncnn23)CCN1CCO 302535407 MKZOTWVXUBEJLW-UHFFFAOYSA-N 352.442 1.684 0 50 FDAA COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N1CC[C@](O)(C(F)(F)F)C1 408315213 FZDVRGPCFDXBGR-CKYFFXLPSA-N 359.366 1.047 0 50 FDAA Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 186635650 SFYGDLMHUZKRAX-MRXNPFEDSA-N 368.437 1.686 0 50 FDAA Cc1nc(CNC(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)no1 276800150 WDVOUSLHVLEMAZ-AWEZNQCLSA-N 372.429 1.736 0 50 FDAA CS(=O)(=O)Cc1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1 170040710 IRSHVTVWMBTTAL-UHFFFAOYSA-N 362.455 1.479 0 50 FDAA CCn1ccc(C(=O)N2CCN3[C@H](COC[C@H]3c3ccccc3)C2)cc1=O 1615937526 QHVMUOOTTKAYBZ-OALUTQOASA-N 367.449 1.766 0 50 FDAA CCc1ocnc1C(=O)N1CCCN(C(=O)C[C@@H](C)n2cccn2)CC1 1704311781 CIZFOVGMEGVFOC-CQSZACIVSA-N 359.430 1.759 0 50 FDAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)N1C[C@@H]2CCCN2C(=O)[C@@H]1C 1772709318 FLPVWBQWOYYTEJ-HOCLYGCPSA-N 374.466 1.565 0 50 FDAA CC[C@@]12COC(=O)N1CCN(C(=O)CCc1c(C)nc3ncnn3c1C)C2 1857677357 XUXIVOIXADXXMA-GOSISDBHSA-N 372.429 1.117 0 50 FDAA O=C1NCC(=O)N2C[C@@H](n3ccnc3-c3cccc(-n4cccn4)c3)C[C@@H]12 1857709910 XRNREQQMUSCGOR-HOTGVXAUSA-N 362.393 1.008 0 50 FDAA O=C(COc1ccc(Cl)cc1)N[C@@H]1C[C@H]2CO[C@@H](CCO)CN2C1 1857741455 UBZMRDHHVGJESY-YCPHGPKFSA-N 354.834 1.059 0 50 FDAA COc1ccc(CCNC(=O)[C@]2(O)CCCN(C(C)=O)C2)c(Cl)c1 330585169 WQPUDZUNXAMYBN-KRWDZBQOSA-N 354.834 1.381 0 50 FDAA Cc1cnc2c(S(=O)(=O)N3C[C@@H](O)C[C@@H]3c3nc(C)no3)cccc2c1 328619972 GPFSJWQUIUYQRW-UONOGXRCSA-N 374.422 1.731 0 50 FDAA CN1C(=O)CC[C@H](C(=O)NCC(=O)O)[C@@H]1c1ccc(C(F)(F)F)cc1 237151891 BSAWZMDCWRGKMI-FZMZJTMJSA-N 358.316 1.816 0 50 FDAA O=C(O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CCO1 263023343 STHJAHSANUQVBN-MFKMUULPSA-N 352.774 1.005 0 50 FDAA CC(=O)NCCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 264241998 FIDBSKLPCZMXLG-MRXNPFEDSA-N 357.376 1.693 0 50 FDAA CC(C)c1cc(C(=O)N2CCC[C@@]3(CCc4cnc(N)nc43)C2)nc(N)n1 1704344681 VPPSJSUOURCUAY-LJQANCHMSA-N 367.457 1.675 0 50 FDAA O=C(O)c1cccc(NC2CCN(C(=O)CN3CSCC3=O)CC2)c1 833330333 QJVAKEMWFCILTD-UHFFFAOYSA-N 363.439 1.321 0 50 FDAA C=CC(=O)N1CCC(C(=O)N2CCC[C@H](c3n[nH]cc3NC(C)=O)C2)CC1 1875365115 NOAUFLJGRQCLGS-HNNXBMFYSA-N 373.457 1.499 0 50 FDAA CCn1ccnc1-c1cn(C[C@H]2CN(C(=O)c3ccccc3)CCO2)nn1 1875318211 PKWLWWOTYJLZCX-MRXNPFEDSA-N 366.425 1.703 0 50 FDAA C=CC(=O)N1CCC(C(=O)NC2(CC(=O)OCC)CCOCC2)CC1 1875366177 YGQIHNNSQBPBEK-UHFFFAOYSA-N 352.431 1.030 0 50 FDAA CS(=O)(=O)NC(=O)c1cc(=O)n(Cc2ccccc2)c2ccccc12 1875391001 ITFCCOUDUFWLJD-UHFFFAOYSA-N 356.403 1.739 0 50 FDAA COC1CCC(C)(CNC(=O)N2CCN(c3nncn3C)CC2)CC1 888093896 FNXFOYJPMBCSBA-UHFFFAOYSA-N 350.467 1.242 0 50 FDAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)NCC2(F)COCCOC2)CC1=O 2325801139 XQFWWMZAJBTZOZ-ZBFHGGJFSA-N 364.417 1.467 0 50 FDAA CCc1c(NC(=O)[C@H](O)Cc2cn(C)cn2)c(=O)n(-c2ccccc2)n1C 2325805127 QQDUJPHFKVAHOQ-MRXNPFEDSA-N 369.425 1.014 0 50 FDAA O=C(CN1CCCC(CO)(CO)C1)NCC1(c2ccccc2)CCCC1 2325809765 JJBMVFBHVNPAPY-UHFFFAOYSA-N 360.498 1.681 0 50 FDAA COc1ccccc1C1(C(=O)N[C@H](C)CN(C)C(=O)[C@@H](O)C2CC2)CCC1 2325828758 QMXPNUMTKYZJGA-KDOFPFPSSA-N 374.481 1.851 0 50 FDAA Cc1cccc2nc(CCNC(=O)C(=O)Nc3ccc(CN)c(F)c3)cn12 2325857299 WMZNOPVFUIKAQF-UHFFFAOYSA-N 369.400 1.538 0 50 FDAA Cc1ccnc(N2C[C@H](NC(=O)c3n[nH]cc3C(F)(F)F)C[C@@H]2C)n1 2325867561 ZWDLJLDHMNYDJJ-VHSXEESVSA-N 354.336 1.924 0 50 FDAA Cn1cnc(C(=O)NC2C[C@H]3CN(C(=O)Cc4cscn4)C[C@@H]3C2)c1 2325873799 UCYCLXZNSLUFJF-RYUDHWBXSA-N 359.455 1.086 0 50 FDAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCOc3ccccc3[C@H]2C(=O)OC)C1 2325888317 HRAPXTXXLCTLCG-KDOFPFPSSA-N 372.421 1.546 0 50 FDAA CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1 1183212 IHBLZJADZWCATD-LBPRGKRZSA-N 362.407 1.917 0 50 FDAA COc1nc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)nn1C 2356144718 JUFXQRSGIXAUBD-UHFFFAOYSA-N 362.777 1.500 0 50 FDAA CC(C)N1CCC[C@]2(CCCN2C(=O)c2cnc3cnn(C)c3c2)C1=O 2356157952 UBVSRVXMOVBWIP-IBGZPJMESA-N 355.442 1.974 0 50 FDAA Cc1nc(-c2cccnc2)ncc1C(=O)NC[C@@H](O)c1cccc(O)n1 2356158767 YMUXGANRRPORQD-OAHLLOKOSA-N 351.366 1.411 0 50 FDAA COc1ccc(CCN=c2nc(N3CCC[C@H](O)C3)cc[nH]2)cc1OC 2356170129 WGUVLGIEZWDMDB-HNNXBMFYSA-N 358.442 1.531 0 50 FDAA O=C1C[C@H](N2CCN(c3ncccn3)CC2)C(=O)N1c1ccccc1F 105611049 GLSQZLUXTNHGDS-HNNXBMFYSA-N 355.373 1.070 0 50 FDAA C[C@@H](Cn1cccn1)NCc1ccc(OCC(=O)N2CCOCC2)cc1 55392939 ISFWDTGMTKITKC-INIZCTEOSA-N 358.442 1.299 0 50 FDAA Cc1nc(NCCNC(=O)c2ccc3c(c2)OCO3)cc(N2CCCC2)n1 65362869 VSXHNCJZEGMWCV-UHFFFAOYSA-N 369.425 1.956 0 50 FDAA Cc1ncccc1OC1(C(=O)N2CCN3CCC[C@@H]3[C@@H]2C)CCNCC1 65461741 DTUYAVIIZLGBCF-DLBZAZTESA-N 358.486 1.586 0 50 FDAA CC[C@H](C(=O)N1CCN(CC)CC1)N(c1ccccc1F)S(C)(=O)=O 67629839 QRVOJXGEAFUCPS-OAHLLOKOSA-N 371.478 1.534 0 50 FDAA COc1ccccc1-n1cc(C(=O)N2CC[C@@]3(CCCN(C)C3=O)C2)cn1 67740090 WXDIJACXANDYPZ-FQEVSTJZSA-N 368.437 1.965 0 50 FDAA CN1CCN(CCNC(=O)c2ccc(I)cc2)CC1 20819692 HLOZSAVJWPYLCG-UHFFFAOYSA-N 373.238 1.268 0 50 FDAA CN(Cc1nc(-c2ccncc2)no1)C[C@]1(O)CCCN2CCCC[C@@H]21 63845671 NOHIQBXZGKSSKP-VQIMIIECSA-N 357.458 1.943 0 50 FDAA COCc1noc(-c2nc3c([nH]2)C[C@@H](c2ccc(F)cc2)CNC3=O)n1 65456719 XZXPYEYRVMMPGL-SNVBAGLBSA-N 357.345 1.815 0 50 FDAA C[C@@H]1C[C@@H](C)CN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)C1 252536611 IYQCEXZVOKGQKM-JMSVASOKSA-N 365.861 1.818 0 50 FDAA O=C(COc1ccc(CN2CCN3CCCC[C@@H]3C2)cc1)N1CCOCC1 215808147 KAJDODZHDWAUIQ-LJQANCHMSA-N 373.497 1.594 0 50 FDAA COc1cc(-n2ccc3c(cnc4nc(C)nn43)c2=O)cc(OC)c1OC 30875152 CMFHZCKEBDBJES-UHFFFAOYSA-N 367.365 1.763 0 50 FDAA O=C(CN1CCCCC1)N1CCc2c(nc(-c3ccccc3)[nH]c2=O)C1 72166947 YEKAUHPMAVAUES-UHFFFAOYSA-N 352.438 1.808 0 50 FDAA O=C(N[C@@H]1CCCN(c2cnccn2)C1)c1nc2ccccc2[nH]c1=O 215520651 QPEIAMKCBIWCAY-GFCCVEGCSA-N 350.382 1.112 0 50 FDAA CCC(=O)N[C@H](O)C(Br)(Br)Br 71769927 RYYXOJMOUINZEF-SCSAIBSYSA-N 353.836 1.670 0 50 FDAA COc1cccc(CN2CCN(c3ncccc3C(N)=O)C[C@@H]2CCO)c1 72407911 XYUVKHYXMIRABP-INIZCTEOSA-N 370.453 1.262 0 50 FDAA CS(=O)(=O)NCC(=O)N1CCC[C@@H](C(=O)c2ccc3ccccc3c2)C1 72146039 IMJIKWHBAKEEMZ-QGZVFWFLSA-N 374.462 1.810 0 50 FDAA 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FDAA COCCN1CCC(CN2CCC[C@]3(CCN(C(=O)N(C)C)C3)C2)CC1 67513533 PASXTEGEAKGYGX-FQEVSTJZSA-N 366.550 1.814 0 50 FDAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2ccon2)[C@@H]3C1=O 77387787 XDKQCHLWPIKDJG-LJCCNALRSA-N 373.453 1.851 0 50 FDAA O=C1CCCC[C@@H]1[C@H]1COCCN1C(=O)c1ccnc(-n2cncn2)c1 328729865 WFEGRYOZHWHVHP-HUUCEWRRSA-N 355.398 1.263 0 50 FDAA CCSc1ncc(CN2CCN(c3cc(C)nc4ncnn34)CC2)cn1 215497900 IFRDJFHIQIVRRC-UHFFFAOYSA-N 370.486 1.657 0 50 FDAA Cc1c[nH]c(CN2CCn3nc([C@@H](O)c4nccn4C)cc3C2)c(C)c1=O 218920651 MWAUAQCTYYEYDS-GOSISDBHSA-N 368.441 1.019 0 50 FDAA CCC(=O)N1CCN(Cc2ccc(F)c(F)c2)[C@H]2CS(=O)(=O)C[C@H]21 72479874 MOUGKNLYYNSVPD-LSDHHAIUSA-N 358.410 1.185 0 50 FDAA COc1ccccc1S(=O)(=O)N1CCC2(CC1)C[C@@H](C(=O)O)N(C)C2 72161043 ZEZLMKNQZPTBKW-ZDUSSCGKSA-N 368.455 1.255 0 50 FDAA Cn1cc([C@H](NC(=O)c2cc(=O)[nH]c3cc(F)ccc23)C2CC(O)C2)cn1 219265933 VROXCGYYSLMPTP-TWPJBNHHSA-N 370.384 1.643 0 50 FDAA Cn1c(CN2CCOCC2)nnc1[C@@H]1CCCN(C(=O)N2CCCC2)C1 77376311 JNPPHZCYMNPJEF-OAHLLOKOSA-N 362.478 1.043 0 50 FDAA CN1C(=O)[C@@](CC(=O)NCC(=O)O)(Cc2ccccc2)c2ccccc21 71747668 BANNMQMDLWQCCJ-HXUWFJFHSA-N 352.390 1.734 0 50 FDAA COCCN1C[C@@]2(CCCN(C(=O)CCn3nccc3C)C2)CCC1=O 77489647 BBXCVJSWONQTJK-IBGZPJMESA-N 362.474 1.459 0 50 FDAA CC(C)c1cc(C(=O)NCC2CCN(c3cnn(C)c(=O)c3)CC2)no1 77486299 NZWSSXXPTFFZOK-UHFFFAOYSA-N 359.430 1.538 0 50 FDAA O=C(CCc1nc[nH]n1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 328631031 QMBSIQJSAYFNEC-AWEZNQCLSA-N 356.430 1.412 0 50 FDAA CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(-c3ccccc3)no2)CC1 153186318 LWKRCFDKKGZVBU-QGZVFWFLSA-N 368.437 1.720 0 50 FDAA CC(C)NC(=O)N1CCC[C@H]1C(=O)NC1CCN(c2ccccn2)CC1 123842297 AVXKCXZTVJXENU-INIZCTEOSA-N 359.474 1.749 0 50 FDAA O=C(Cn1c(O)nc2ccccc2c1=O)Nc1cccc2c1OCC[C@@H]2O 363828980 SJFFZFTUVRYVPB-HNNXBMFYSA-N 367.361 1.557 0 50 FDAA c1cc2c(cc1-c1nn3c(CN4CCOCC4)nnc3s1)OCCO2 36359747 GZVYQVLXWSZKBY-UHFFFAOYSA-N 359.411 1.456 0 50 FDAA CN(C)C[C@H]1CN(C(=O)c2ccnc3c2ncn3C)c2ccccc2O1 367994631 SURABTUTQMLXAT-ZDUSSCGKSA-N 351.410 1.938 0 50 FDAA OCCOc1cncc(N2CCC[C@H](Cc3nnc4ccccn34)C2)n1 368752300 ZBBTUDRIJAWFHJ-CQSZACIVSA-N 354.414 1.350 0 50 FDAA Cn1cnnc1CCC(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 71761154 JRTDAPIMQASURG-IOMROCGXSA-N 365.481 1.837 0 50 FDAA Cc1ccc(NC(=O)[C@H]2CNCCN2C(=O)c2cccc(N(C)C)c2)cn1 72149716 UHTYMYXKLUJBJG-GOSISDBHSA-N 367.453 1.509 0 50 FDAA COc1ccc2c(c1)C[C@@H](C)N(C(=O)CCS(=O)(=O)N(C)C)[C@@H]2C 332705332 WVIHGRMAVJXYPJ-CHWSQXEVSA-N 354.472 1.811 0 50 FDAA CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCC(CC(=O)N(C)C)CC1 378585716 XSWCMYHJCCUWCD-IBGZPJMESA-N 371.481 1.677 0 50 FDAA COc1ccc(C(=O)N2CCN(C(=O)NCCCn3cccn3)CC2)cc1 45713082 RNWSCJRSBNNKCJ-UHFFFAOYSA-N 371.441 1.449 0 50 FDAA Cc1ccc(-c2cc(C(=O)N3CCOC[C@@H]3CC(=O)N3CCCC3)[nH]n2)o1 72172618 RKHOZQVQFKFMLI-AWEZNQCLSA-N 372.425 1.832 0 50 FDAA Cc1cc(Cl)ccc1OCC(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 333731933 KAPJAHANCZASGF-ZFWWWQNUSA-N 373.858 1.442 0 50 FDAA CC(C)Oc1ccc(CNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 45522386 CISZNNNUUYAQOG-OAHLLOKOSA-N 354.472 1.762 0 50 FDAA O=C(CCCn1nnc(-c2ccc(F)cc2)n1)NC[C@@H]1C[C@H](F)CN1 82115567 CAVZFUSODQHOIA-KBPBESRZSA-N 350.373 1.076 0 50 FDAA CN(C)Cc1nnc([C@H]2C[C@@H](NC(=O)CCc3cc(Cl)no3)C2)n1C 223903438 FNHQQFDQMRREHK-XYPYZODXSA-N 366.853 1.513 0 50 FDAA COc1cccc(OCc2nn3c(CN4CCOCC4)nnc3s2)c1 40283231 FGCCZTBKQAXFJT-UHFFFAOYSA-N 361.427 1.606 0 50 FDAA c1ccc(CN2CCN(CCNc3cc([C@H]4CCOC4)ncn3)CC2)cc1 426538040 DCZMMNFAIUOOGO-IBGZPJMESA-N 367.497 2.210 0 50 FDAA Cc1n[nH]c(C)c1CC(=O)N[C@@H]1COCC[C@H]1Oc1ccc(CO)cc1 223241334 MPRCSYMIKNCJQH-QZTJIDSGSA-N 359.426 1.414 0 50 FDAA Cc1nn(C)c(C)c1CN(C(=O)Cn1ccc([C@H]2CCCNC2)n1)C1CC1 426489461 AKLMDXHLGTWMKO-INIZCTEOSA-N 370.501 1.892 0 50 FDAA CCc1csc(CNC(=O)N2CCCN(C(=O)[C@H]3CCCO3)CC2)n1 426478965 ODKITPOCGAZFJW-CQSZACIVSA-N 366.487 1.628 0 50 FDAA Cc1nc(C2CCN(C(=O)c3c(C)nc4ncccn34)CC2)cc(=O)[nH]1 82160681 IFLHPMVDXRRFCG-UHFFFAOYSA-N 352.398 1.449 0 50 FDAA Cc1cc(F)ccc1OC1(C(=O)O)CCN(c2cc(N)nc(N)n2)CC1 82107802 ZFXKPSDSJAMAQJ-UHFFFAOYSA-N 361.377 1.591 0 50 FDAA O=C(COc1ccccc1)N1CCn2nc(CNc3cnccn3)cc2C1 426412113 BNLAGSXSTRBJOW-UHFFFAOYSA-N 364.409 1.706 0 50 FDAA CCn1ncnc1[C@H](C)NC(=O)Nc1cc(-c2nnn(C)n2)ccc1C 426690703 PAZQRWSJGDFRIP-NSHDSACASA-N 355.406 1.680 0 50 FDAA Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCCC[C@H]2[C@H]2CCNC2)c1 333886100 XFDRCHOODKGLGG-ZFWWWQNUSA-N 351.472 1.247 0 50 FDAA Cc1cnc(-c2ccc(C(=O)N[C@@H]3C[C@@H](CO)N(C)C3)cc2)nc1N(C)C 426489499 GBDRAFKBLOIOBB-SJORKVTESA-N 369.469 1.313 0 50 FDAA Cc1cc(NCCN2CCC[C@H](C(N)=O)C2)nc(-c2ccccc2O)n1 91643976 OAGNUMYGJUTWFI-AWEZNQCLSA-N 355.442 1.767 0 50 FDAA CCC[C@H]1CN(C(=O)COc2cccc(F)c2)C[C@@H]1NS(C)(=O)=O 91518721 INNJDSOOBCMLKT-WFASDCNBSA-N 358.435 1.381 0 50 FDAA CCc1cc(CNC(=O)c2ccc3c(c2)nc(N2CCOCC2)n3C)on1 95382102 XAXKXWARGUOBOE-UHFFFAOYSA-N 369.425 1.890 0 50 FDAA CCc1ncc(CN2CCC[C@H](c3nnc(Cn4cccn4)n3C)C2)cn1 92037909 SWTNDRJQVIHRIK-INIZCTEOSA-N 366.473 1.792 0 50 FDAA CCc1nnc(-c2ccc(OC)c(NC(=O)N3CC[C@H](C(=O)NC)C3)c2)o1 97717182 VJGGWZYZRZBESR-LBPRGKRZSA-N 373.413 1.907 0 50 FDAA Cc1ccccc1-n1ncc([C@H](C)NC(=O)CN2C(=O)CNC2=O)c1C 91691329 OJIHLQPKSLOUTQ-LBPRGKRZSA-N 355.398 1.218 0 50 FDAA COc1ccc2c(c1)C[C@@H](C(=O)N1Cc3nc(C)n(C)c(=O)c3C1)CO2 92097680 JZVWDPGQAXIEQQ-CYBMUJFWSA-N 355.394 1.191 0 50 FDAA Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Cc1ccccn1)C2 92080804 KKXKRELWCIQAHV-DOTOQJQBSA-N 368.437 1.879 0 50 FDAA O=C(CN1CCN(c2ncccn2)CC1)N1CCCC[C@H]1c1cccnc1 95383682 AKWSTDRFLKCDHJ-SFHVURJKSA-N 366.469 1.747 0 50 FDAA O=C1N[C@H](C(=O)N2CCC(N3CCSCC3)CC2)Cc2ccccc21 97805761 QBLDXIFBWPMHJX-KRWDZBQOSA-N 359.495 1.381 0 50 FDAA CN1CCN(Cc2ccc(C(F)(F)F)nc2)C[C@]12CCNC(=O)CC2 91306073 RUKGGEQKDZUCIC-INIZCTEOSA-N 356.392 1.887 0 50 FDAA COc1ccc2c(c1)[C@@H](C(=O)NCc1ncc3c(n1)CCC3)CC(=O)N2 91462475 FJYJWPCANGXJEL-AWEZNQCLSA-N 352.394 1.716 0 50 FDAA CN(C)c1ncccc1O[C@@H]1CCN(c2nnnn2-c2ccccc2)C1 293248307 ZSLHUMGOQDNKSR-OAHLLOKOSA-N 351.414 1.781 0 50 FDAA Cc1noc(C)c1CN1CC2(CCN(C(=O)[C@@H]3CCCN3)CC2)CC1=O 91593445 CAZCCZBXLIOPID-INIZCTEOSA-N 360.458 1.385 0 50 FDAA OCCN1CCN(C[C@@H](O)COc2ccccc2-c2ccccc2)CC1 22918018 QORJGFMQASCGDC-LJQANCHMSA-N 356.466 1.703 0 50 FDAA O=C(CCn1cncn1)N1CCC[C@@H](c2nccn2Cc2cccnc2)C1 92037010 KMVZUHMHKHODAN-QGZVFWFLSA-N 365.441 1.714 0 50 FDAA CN(Cc1ccc2nonc2c1)C(=O)Cn1ncc(N2CCCC2)cc1=O 95503561 XNNLPGVFHPXOAY-UHFFFAOYSA-N 368.397 1.038 0 50 FDAA COc1ccc2c(c1)OC[C@H](CNS(=O)(=O)N1CCCCCC1)C2 91724898 XARZLYCIRVYNMW-AWEZNQCLSA-N 354.472 1.957 0 50 FDAA Nc1ncnc2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc12 96137127 AQVPCIDHHSLYMM-UHFFFAOYSA-N 370.434 1.900 0 50 FDAA COCCN1CCC[C@@]2(CCN(CC(=O)NCc3ccccc3C)C2)C1=O 91656989 BUUSVNAOGZYHMU-NRFANRHFSA-N 373.497 1.572 0 50 FDAA Cn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2cc(=O)c3ccccc3o2)C1 244900184 ZXSUNXLRBUHOEB-PHIMTYICSA-N 354.366 1.090 0 50 FDAA CC1(C)NC(=O)N(CC(=O)N[C@H](c2cccs2)[C@H]2C[C@@H](O)C2)C1=O 252528077 DZTYTUVJYKBEFD-CWSCBRNRSA-N 351.428 1.007 0 50 FDAA Cn1[nH]c(C(=O)N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)nc1=O 1940197407 OHCHFUKHIBHGCK-UHFFFAOYSA-N 370.331 1.251 0 50 FDAA COc1cccc(CNC(=O)N2CCn3nc(C(=O)NC4CC4)cc3C2)c1 65536634 JEYJPBRPMUANSB-UHFFFAOYSA-N 369.425 1.509 0 50 FDAA O=C(CCC(=O)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21)c1ccccc1 299798746 VRQFSJUCSNEJKK-NYUBLWNDSA-N 373.449 1.664 0 50 FDAA CCOc1cccc(C(=O)N2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)c1 299799875 VEHZWJIKAVDYHR-NFBUACBFSA-N 361.438 1.714 0 50 FDAA CCc1nccn1CCC(=O)NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 823557145 DPBUGNLSSNOMGU-MYMYQCDVSA-N 369.473 1.686 0 50 FDAA COc1ccc(OC[C@H](O)CNC(=O)c2cc(CC(C)C)nc(N)n2)cc1 952860407 OXZIRBDXLQFHPO-CQSZACIVSA-N 374.441 1.436 0 50 FDAA CCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCN2C(=O)OC[C@@H]2C1 952988698 OLSJEIUOUVHSKS-NSHDSACASA-N 351.790 1.965 0 50 FDAA Cc1n[nH]c(C)c1CCCN(C)C(=O)[C@@H]1CC(=O)N(Cc2ccncc2)C1 952979240 NFFPHJNGCGXZQC-QGZVFWFLSA-N 369.469 1.861 0 50 FDAA Cc1noc(C)c1-c1ccc(S(=O)(=O)N[C@@H]2[C@H]3OCC[C@H]3[C@H]2N)s1 1565512029 STLRGRIFBUXXBO-FLCCKXIQSA-N 369.468 1.413 0 50 FDAA C[C@H]1CC[C@@H](C)N1CCN1CCN(C(=O)[C@H](CN)c2ccccc2)CC1 269251217 PAYILMHUISOEBA-WSTZPKSXSA-N 358.530 1.746 0 50 FDAA Cn1c([C@H]2CCCN2CCN2C(=O)NC(C)(C)C2=O)nc2c1CCCC2 275584097 FVLSSDAZAHDSFF-OAHLLOKOSA-N 359.474 1.766 0 50 FDAA Cn1ccnc(N2CCC[C@H](NCc3ccc4c(c3)OCCO4)C2)c1=O 275627597 SATQVMMEDFKZQZ-HNNXBMFYSA-N 356.426 1.310 0 50 FDAA Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CC[S@](=O)C[C@@H](C)C1)C2=O 277357251 BRAPRYIZXALLEG-YGCGCYASSA-N 362.451 1.207 0 50 FDAA COc1cccc2c1OC[C@H](NCc1cnc(N(C)CC(=O)O)nc1)C2 1506405593 KDUOBWVERCMZQB-CQSZACIVSA-N 358.398 1.099 0 50 FDAA Cc1c(-c2ccccc2)nn(C)c1NC(=O)C[C@H]1C(=O)NCCN1C(C)C 1529100734 YRBRUQMEJGSQOG-INIZCTEOSA-N 369.469 1.933 0 50 FDAA COc1ccc(-n2ccnc2CN2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)cc1 1704340748 SYHUXKILZBXNTQ-HDICACEKSA-N 357.366 1.242 0 50 FDAA CCC(=O)N1CCN(Cc2cc(C)c(C)cc2C)[C@@H]2CS(=O)(=O)C[C@@H]21 222424287 QMXMLPWTWNMBCS-MSOLQXFVSA-N 364.511 1.832 0 50 FDAA O=C(NC12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2)[C@@H]1CC2CCN1CC2 1775977990 KZCFVSUKLROCOT-JTMYGCHMSA-N 355.486 1.927 0 50 FDAA 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FDAA CCN1C[C@H](NC(=O)c2ccc(-c3nnc4ccccn34)cc2)[C@@H](OC)C1 824504916 YZFXANYVYWPHMS-IRXDYDNUSA-N 365.437 1.845 0 50 FDAA CN1C[C@@H](NC(=O)N2CCC(F)(F)CC2)c2sccc2S1(=O)=O 584896919 JYBIPIQILVFOJR-SECBINFHSA-N 365.427 1.864 0 50 FDAA O=C(Cn1cnnn1)NCC1CCN(c2nc3ccccc3s2)CC1 952868846 BFCBXDJRLABRFO-UHFFFAOYSA-N 357.443 1.316 0 50 FDAA O=C(Cn1ncc2ccccc21)N[C@H]1CCOC[C@@H]1Oc1ccccn1 1565508419 NZKUVQZLRXVWHB-RDJZCZTQSA-N 352.394 1.784 0 50 FDAA Cn1cc(Br)cc1C(=O)NS(=O)(=O)[C@@H]1CCCOC1 408489145 QCVOWAQZYLYKJO-SECBINFHSA-N 351.222 1.026 0 50 FDAA CC1(Cn2cc(C(=O)NCc3cc(Cl)cc4c3OCC4)nn2)COC1 185271274 QDXQINBILSMWJC-UHFFFAOYSA-N 362.817 1.833 0 50 FDAA Cn1ccc(CN2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)n1 270752972 CMVIAZCPZHEINO-OAHLLOKOSA-N 352.435 1.502 0 50 FDAA COc1ccc(CN(C)C(=O)c2cnn3c2C[C@H](CNC(C)=O)CC3)cc1 276925379 LQEIFWZYKKTUPR-MRXNPFEDSA-N 370.453 1.862 0 50 FDAA O=S(=O)(NCC1CC1)c1ccccc1S(=O)(=O)Nc1ccncc1 277088854 KLQLGMKTLSXBLP-UHFFFAOYSA-N 367.452 1.571 0 50 FDAA O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)N[C@H]1Cc2cccc(O)c2C1 170613628 NGGKCQAJXFSEEC-SOUVJXGZSA-N 356.422 1.541 0 50 FDAA CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)c2ccc(F)cn2)cn1 190358490 KBVGMVYJMBTLCA-CQSZACIVSA-N 352.391 1.049 0 50 FDAA CCCCc1ccc(C(=O)N2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)cc1 1529198610 FXLNKJSKSZYDNA-DLBZAZTESA-N 368.499 1.354 0 50 FDAA COc1ccc(CN2C[C@H](C(C)C)[C@@H](NC(C)=O)C2)cc1Cn1cncn1 212677693 GLLSBJSRRBTSDI-MOPGFXCFSA-N 371.485 1.928 0 50 FDAA O=C(NCCN1CC[C@H](c2ccccc2)C1)c1cc(N2CCOCC2)no1 1772814065 HZWSHGVAYHKHDI-KRWDZBQOSA-N 370.453 1.731 0 50 FDAA COc1cccc(NC(=O)CCC2CCN(C(=O)Cn3cnnn3)CC2)c1 12192612 PSJQITHNJOSHBV-UHFFFAOYSA-N 372.429 1.339 0 50 FDAA COc1cccc(CN2CCN(C(=O)CC[C@@]3(C)CCC(=O)N3)CC2=O)c1 14962377 LTQGUDHWJPTTHT-HXUWFJFHSA-N 373.453 1.315 0 50 FDAA O=C(O)c1n[nH]c2c1CN(C(=O)CCn1c(O)nc3ccccc31)CC2 1857666858 UTSPBWKLQVERPZ-UHFFFAOYSA-N 355.354 1.138 0 50 FDAA Cc1nc(CCNC(=O)[C@H]2CC(=O)N(c3nccs3)C2)nc2c1CCC2 1857706636 XVBXZINXCAJQBU-LBPRGKRZSA-N 371.466 1.442 0 50 FDAA Cc1[nH]c(=N)nc(N2C[C@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)c1Cl 1857714886 QZGBIEPKJMJUPF-KYZVSKTDSA-N 360.845 1.424 0 50 FDAA CCOCc1nnc(N2C[C@@H](C(=O)N3CCC(F)(F)CC3)CC2=O)s1 1857715257 JBSHYBGUCXDBGL-JTQLQIEISA-N 374.413 1.685 0 50 FDAA CCC[C@@]1(CO)CN(C(=O)CN2CCOc3ccccc3C2)CC[C@@H]1O 1857719991 YXTBMYGHAYZROI-ICSRJNTNSA-N 362.470 1.253 0 50 FDAA Nc1ncccc1CN1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857732886 LMEPQFCIWWRAQG-HLIPFELVSA-N 350.422 1.938 0 50 FDAA COCc1nnc(N2C[C@@H](C(=O)N3C[C@H]4CCC[C@H]4C3)CC2=O)s1 1857735075 GWAZZMIHCJLLHW-TUAOUCFPSA-N 350.444 1.296 0 50 FDAA O=C(C1CCC1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1875249287 OANGKWPVGKNXGY-UHFFFAOYSA-N 372.469 1.625 0 50 FDAA COc1ccc(S(=O)(=O)N2CC(NC(=O)N3C[C@H](C)[C@H]3C)C2)cc1 334069494 GDLAIAQGPAVEGQ-NWDGAFQWSA-N 353.444 1.118 0 50 FDAA O=C(c1ccccc1F)N1C[C@@H]2CN(C(=O)C3CCC3)C[C@]2(C(=O)O)C1 247400761 NIZWNSBYABECAG-DJJJIMSYSA-N 360.385 1.611 0 50 FDAA O=C(NC[C@H]1CCCN(c2ncccc2Br)C1)[C@H]1CCCN1 262117835 KLSYNIJAAGBXSY-TZMCWYRMSA-N 367.291 1.929 0 50 FDAA CCN(C(=O)c1ccc(N2CCOC2=O)cc1)[C@H](C)CS(=O)(=O)CC 264983975 HRPQIMOTWQFVHX-CYBMUJFWSA-N 368.455 1.929 0 50 FDAA Cc1cc(Br)ccc1S(=O)(=O)N1CCC(C(N)=O)CC1 8714973 LICGTIUPAGQGGD-UHFFFAOYSA-N 361.261 1.644 0 50 FDAA CCS(=O)(=O)N[C@H]1CCCN([C@@H]2CCN(C3CCCCC3)C2=O)C1 1875268621 XDMFRCDRWHXFJV-GOEBONIOSA-N 357.520 1.324 0 50 FDAA C=CC(=O)N1CCC(C(=O)N2CC(N(CC)C(=O)OC(C)(C)C)C2)CC1 1875370619 WCEXBAIJSVIHAC-UHFFFAOYSA-N 365.474 1.879 0 50 FDAA CCn1cncc1CN[C@@H]1CCN(c2nc(C(=O)N(C)C)nc(C)c2C)C1 1875397325 VYXAYSUXMMSVGA-OAHLLOKOSA-N 371.489 1.380 0 50 FDAA Cn1c(O)nnc1[C@@H]1[C@@H](C2CC2)CCN1C(=O)c1ccn2ccnc2c1 1875401344 JNDYOMRSBAPVOQ-HIFRSBDPSA-N 352.398 1.782 0 50 FDAA Cc1c[nH]nc1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CC(C2CC2)=NO1 1875407747 GYYSOLHFAUOEPJ-LXIYXOSZSA-N 357.414 1.088 0 50 FDAA Cn1cnc(N2C[C@@H]3[C@@H]4CC[C@@H](CN4C(=O)c4ccco4)[C@H]3C2)cc1=O 1875406073 WJMIWDSRADHMOQ-XGUBFFRZSA-N 354.410 1.360 0 50 FDAA CC(=O)NCc1cc(O[C@H]2CCN(c3ncnc4n[nH]cc34)C2)ccn1 886041055 KKODDQGOGBBBHL-AWEZNQCLSA-N 353.386 1.042 0 50 FDAA CC(C)[C@H]1N(C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc(N3CCCC3)nc1)C2 888097831 QAPPSCPCGYTHBL-SOAMZJECSA-N 359.518 1.646 0 50 FDAA CCOC(=O)c1c[nH]c(-c2ccc(C)cc2)nc1=N[C@@H]1CCC(=O)NC1=O 1857797705 BFKFRRYHGYFNOF-CQSZACIVSA-N 368.393 1.268 0 50 FDAA CC1(C)CN(c2ncnc(N3C[C@@H]4C[C@]4(c4ccccc4)C3)n2)CCN1 2325798724 STXQEQZTUHTUPK-OXJNMPFZSA-N 350.470 1.838 0 50 FDAA Fc1cc(N2CCC[C@@H](Nc3cc(N4CCOCC4)ncn3)C2)ccn1 2325900356 VANLDAJQVDLJBT-CQSZACIVSA-N 358.421 1.928 0 50 FDAA COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1C(=O)O 167160 ZJTCBNMHPPTXTH-UHFFFAOYSA-N 351.336 1.892 0 50 FDAA O=C([C@H]1CCCN(c2ccccn2)C1)N1CCc2nc(C3CC3)nn2CC1 2356168868 FOHQKJAITVFFIU-INIZCTEOSA-N 366.469 1.852 0 50 FDAA COc1ccc(CCNC(=O)C(=O)NCc2ccc(C)cc2)cc1OC 2829673 OTCMKSPNURAPBK-UHFFFAOYSA-N 356.422 1.987 0 50 FDAA biogenic Cc1cccnc1CN1CCN(C(=O)CCC(=O)NC2CCCC2)CC1 55211537 CHTCFTXDSKLRLQ-UHFFFAOYSA-N 358.486 1.873 0 50 FDAA CC[C@H](NC(=O)Cn1ncc(N2CCCCC2)cc1=O)c1ccnn1C 23506123 KTVDRRMORZXFBJ-HNNXBMFYSA-N 358.446 1.235 0 50 FDAA C[C@H](C(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O)c1ccc(Cl)s1 246476793 XEFIHYQPUZVCIV-KOSWAMCASA-N 355.847 2.000 0 50 FDAA CCc1cn[nH]c1[C@@H]1CCCN(C(=O)COc2ccc3nncn3n2)C1 67713812 UXQHEEYOUNBKSR-CYBMUJFWSA-N 355.402 1.195 0 50 FDAA Cc1c(C(=O)N2CCCN(C)CC2)nnn1CCOc1ccc(F)cc1 328843550 UYRFNKDAGGYKLO-UHFFFAOYSA-N 361.421 1.582 0 50 FDAA CCN(CCn1cccn1)[C@H]1CN(C(=O)c2ccc(OC)cc2)C[C@@H]1O 12437966 HLFISBQLUHQNTL-ROUUACIJSA-N 358.442 1.099 0 50 FDAA COC(=O)[C@@H](NC(=O)[C@@]1(C)Oc2ccccc2NC1=O)c1ccccc1 1384570 XPFKNVVJNFVBFA-KXBFYZLASA-N 354.362 1.807 0 50 FDAA Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)N(C)Cc2noc(C(C)C)n2)n1 77515871 SFKIBMALZKDJOG-JTQLQIEISA-N 351.432 1.724 0 50 FDAA COC(=O)[C@@H]1SC[C@@H]2C(=O)N(Cc3ccc(Cl)cc3)CC(=O)N21 3048328 AIYOKMAJJCJQGW-RISCZKNCSA-N 354.815 1.125 0 50 FDAA CN(Cc1csc(-c2ccccc2)n1)C(=O)CCCS(N)(=O)=O 72454424 ZKQSJFQYJDLABE-UHFFFAOYSA-N 353.469 1.837 0 50 FDAA O=C(O)CCc1cc2n(n1)CCN(C(=O)CCN1CCCCCC1=O)C2 72425669 PZLNTXHNQHEQIX-UHFFFAOYSA-N 362.430 1.035 0 50 FDAA CC[C@@H]1CN(C(=O)Cn2c(=O)cnc3ccccc32)CCN1CC(F)F 124985854 HVEMRHYYOQLUSU-CYBMUJFWSA-N 364.396 1.584 0 50 FDAA COc1c[nH]c(C(=O)N2CCN([C@@H]3CCc4ccccc4C3)CC2)cc1=O 72174036 CTTSKNXDWHNRKV-QGZVFWFLSA-N 367.449 1.699 0 50 FDAA O=C(Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)c1cscn1 121999491 SUGFYPPKPFIEFF-JTQLQIEISA-N 352.441 1.829 0 50 FDAA Cc1cc(NCCNC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)n(C)n1 328591443 XBUXDXKKJYSSSH-UHFFFAOYSA-N 369.425 1.219 0 50 FDAA OCCN1CCN(C2CCN(c3nccc(C4CCCC4)n3)CC2)CC1 71745650 RULNLXSDQGDJEX-UHFFFAOYSA-N 359.518 1.713 0 50 FDAA COc1ccccc1N1CCN(C(=O)Cn2c(C)cc(C)nc2=O)[C@H](C)C1 72480888 PDSMGWOJFFEXEM-MRXNPFEDSA-N 370.453 1.606 0 50 FDAA O=C(NCCc1ccc2c(c1)CCO2)N1CCN(c2ncccn2)CC1 172036760 LEUOLIXFYJPPLN-UHFFFAOYSA-N 353.426 1.486 0 50 FDAA Cc1ccc2nc3c(c(C(=O)N[C@@H]4CCC(=O)NC4=O)c2c1)CCCC3 153264123 JRTOWUAXRKYKEM-MRXNPFEDSA-N 351.406 1.957 0 50 FDAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)CC2(C)COC2)cc1 72140075 FSAFQONTEBBHJN-KRWDZBQOSA-N 359.470 1.180 0 50 FDAA O=C(c1cccnc1)N1CCN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 72423317 KCHBJEWHBQTWHZ-MSOLQXFVSA-N 371.462 1.205 0 50 FDAA O=C(CCc1cc2n(n1)CCNC2)N1CCCN(c2ccncc2)CC1 72426209 YXILRGODVQMGKM-UHFFFAOYSA-N 354.458 1.053 0 50 FDAA CN(C)c1ccccc1C(=O)NC[C@@H](c1ccncc1)N1CCOCC1 215871661 WBCIXUZHBWZTJQ-IBGZPJMESA-N 354.454 1.951 0 50 FDAA Cc1nc(CN2CCn3nc([C@@H](O)c4ccnn4C)cc3C2)c(C)s1 219564118 RZRGATYRDGQHJL-QGZVFWFLSA-N 358.471 1.787 0 50 FDAA O=S(=O)(c1ccc(Br)cn1)N1CC[C@H]([C@@H]2CCOC2)C1 333118488 UOTUHXZYRVSPIG-WDEREUQCSA-N 361.261 1.891 0 50 FDAA CN1CCC(N2CC[C@H](N(C)C(=O)c3ccc4nc(O)[nH]c4c3)C2)CC1 370831221 SSKOHYJRBBTGHV-HNNXBMFYSA-N 357.458 1.509 0 50 FDAA O=C1CC[C@@]2(CCCN(S(=O)(=O)C3CC3)C2)CN1Cc1ccccn1 77516311 XCKQWDJQZDGYSF-SFHVURJKSA-N 363.483 1.778 0 50 FDAA CN1CC2(CCNCC2)C[C@@H]1C(=O)NC1CCN(C(=O)c2ccco2)CC1 72422492 CUNHAYZSWZVQHQ-MRXNPFEDSA-N 374.485 1.074 0 50 FDAA O=C(Nc1ccc2c(c1)OCCO2)N1CCN(C(=O)[C@@H]2CCCO2)CC1 13736888 LUODTYMRZFMTFP-HNNXBMFYSA-N 361.398 1.313 0 50 FDAA Cn1nccc1[C@@H]1NC(=O)CC[C@H]1NCc1cn2cc(Cl)ccc2n1 284515996 LOBLIOCMYJIQMI-CXAGYDPISA-N 358.833 1.831 0 50 FDAA O=C1CC[C@]2(CCCN(C(=O)c3ccncc3)C2)CN1CCc1c[nH]cn1 82161360 QNEONCUTOWBDDU-HXUWFJFHSA-N 367.453 1.892 0 50 FDAA O=C(Cn1nnc2ccccc21)N[C@H]1CCN(c2c(F)cccc2F)C1=O 176235704 MFCASIIDWPOWFC-AWEZNQCLSA-N 371.347 1.631 0 50 FDAA CCN(C(=O)c1ccc(-c2cnn3cccnc23)cc1)[C@H]1COC[C@@H]1O 426471335 IUUCTHHZXFXYBG-IRXDYDNUSA-N 352.394 1.618 0 50 FDAA Cc1nc([C@H]2C[C@@H](NC(=O)c3cnc(N)nc3C(F)(F)F)C2)cc(=O)[nH]1 223240627 JZLLGMPEXXVYBF-ZKCHVHJHSA-N 368.319 1.145 0 50 FDAA CCCc1cc(C(=O)N2CCC3(CC2)C[C@H](C(=O)O)N(C(C)=O)C3)no1 82115095 LFIGLSDWVAYROD-OAHLLOKOSA-N 363.414 1.555 0 50 FDAA C[C@H](NCCN1CCOCC1(C)C)c1ccc(S(C)(=O)=O)c(F)c1 178599418 REKABNPXFLMDED-ZDUSSCGKSA-N 358.479 1.991 0 50 FDAA Cc1ccc(-c2cccc(C(=O)NCCS(=O)(=O)N(C)C)c2)c(C)n1 426497367 RFQWRZZRIOKWDZ-UHFFFAOYSA-N 361.467 1.987 0 50 FDAA O=C(NCc1cn2c(n1)SCC2)[C@H](c1cccnc1)N1CCOCC1 91425048 PABWLYDEYCSADH-HNNXBMFYSA-N 359.455 1.074 0 50 FDAA CN1CCN(Cc2nnc(C3CCN(Cc4cccnc4)CC3)n2C)CC1 91997215 IPWJAZORADBBPV-UHFFFAOYSA-N 369.517 1.337 0 50 FDAA O=C(NCCc1ccccc1)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1 91350507 FTFSOHXJHZBRAX-IBGZPJMESA-N 373.497 1.306 0 50 FDAA CN(CC1CCN(CCO)CC1)C(=O)c1cccc([C@H]2CCCNC2)c1 95382879 XWFPXUMVSCHIPA-FQEVSTJZSA-N 359.514 1.930 0 50 FDAA COCCN(C)CC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N2 95392279 BSYDQYSJCQECAG-QGZVFWFLSA-N 359.470 1.230 0 50 FDAA Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(CCS(C)(=O)=O)C1 426526494 UUUIQLPBUOSMTQ-OAHLLOKOSA-N 369.535 1.025 0 50 FDAA c1cnc(N2CCN(Cc3nc(-c4cn5ccccc5n4)no3)CC2)nc1 96140355 BTUFLXIAHFWENZ-UHFFFAOYSA-N 362.397 1.497 0 50 FDAA Cc1nnnn1[C@H](C(=O)N(C)Cc1noc(C(C)C)n1)c1ccccc1 91665141 IAJYHCQPRQKVEE-HNNXBMFYSA-N 355.402 1.736 0 50 FDAA COc1ccc(F)cc1C(=O)N[C@H]1CN(S(C)(=O)=O)C[C@@H]1C1CC1 91503610 CRJYBTGITGEDHY-KGLIPLIRSA-N 356.419 1.234 0 50 FDAA Cc1cc(=O)c(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)c[nH]1 95380764 LYWZCSUGMGWEPO-MRXNPFEDSA-N 365.433 1.962 0 50 FDAA Cc1nc(N(C)C)ncc1C(=O)N1CCC[C@@H](C(=O)c2cccnc2)C1 95355016 FELHKQUGYGAVSO-OAHLLOKOSA-N 353.426 1.981 0 50 FDAA Cc1nc(S(=O)(=O)N2CCc3[nH]nc(CCC(C)C)c3C2)cn1C 23478710 RPXHKGPHMWQAQH-UHFFFAOYSA-N 351.476 1.787 0 50 FDAA CCc1nc(C)sc1C(=O)N1CCN(C)[C@@]2(CCNC(=O)CC2)C1 91644959 AWCDAHKEOKIGET-KRWDZBQOSA-N 350.488 1.440 0 50 FDAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3ncon3)C2)cc1 95496698 WOUKLFYYHSRYMT-ZDUSSCGKSA-N 366.443 1.269 0 50 FDAA Cc1nn(CC(=O)N[C@H](CC(=O)O)c2ccco2)c(=O)c2ccccc12 95392506 DDGKSFXEAQECOK-CQSZACIVSA-N 355.350 1.630 0 50 FDAA COCc1cc(CN(C)C(=O)[C@@H]2CCCN(C3CCOCC3)C2)n[nH]1 97604297 NIUCWFGDIPCYEA-CQSZACIVSA-N 350.463 1.406 0 50 FDAA COc1cccc2c1OC[C@]1(C(=O)O)CN(C(=O)CCn3cccn3)C[C@H]21 95512763 NMKNXEZXHXFFDI-AUUYWEPGSA-N 371.393 1.371 0 50 FDAA COCCN1CC[C@H](C(=O)N2CCC(O)(c3ccc(F)cc3)CC2)C1 97402397 RBQKTTVSXKEPGO-HNNXBMFYSA-N 350.434 1.604 0 50 FDAA Cn1nc(C(=O)N2C[C@H]3CC[C@@H]2CN(c2ncccn2)C3)c2c1CCCC2 91656541 CAJYTTKNILKBSV-LSDHHAIUSA-N 366.469 1.830 0 50 FDAA Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)N[C@@H]3CCOC3)c2)o1 95375850 XHWJYUGRVFUABQ-CQSZACIVSA-N 364.423 1.585 0 50 FDAA COCCOCC(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 95355817 FRYSWYGFNOOGKT-DFQSSKMNSA-N 362.445 1.877 0 50 FDAA O=C([C@@H]1CCCCN1C(=O)C1CC1)N1CCCN(Cc2cccnc2)CC1 244715795 LCKZKEQXAXNWGV-IBGZPJMESA-N 370.497 1.907 0 50 FDAA CNc1cc([C@H]2C[C@@H](NC(=O)c3cnc4ccnn4c3C)C2)nc(N)n1 252571786 YNTQHMBHJNXZMP-PHIMTYICSA-N 352.402 1.128 0 50 FDAA O=C(NCc1cccc(-c2nnn[nH]2)c1)[C@H]1CCCN(Cc2ccco2)C1 299785865 KVAHBXGCTFPJNQ-INIZCTEOSA-N 366.425 1.988 0 50 FDAA CCCCSCc1cc(C(=O)N2CCN3CCNC(=O)[C@H]3C2)oc1C 299761295 IOBKGPFLPNTTDP-OAHLLOKOSA-N 365.499 1.878 0 50 FDAA CN1CCN(CC[C@@H]2CCCCN2C(=O)c2cccnc2N(C)C)CC1 299783277 ZYOFBRFQGCIHJF-KRWDZBQOSA-N 359.518 1.780 0 50 FDAA Cc1cc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(Cl)o3)C[C@H]2O)no1 299770757 MJRALUKLWAWJHK-MWLCHTKSSA-N 353.762 1.235 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350.465 1.943 0 50 FDAA N[C@@H](CS[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)C(=O)O 16899984 DTQQLUSLGNOODL-VHSXEESVSA-N 373.228 1.226 0 50 FDAA CN1C(=O)CC[C@H](C(=O)NCc2cn3ccsc3n2)[C@@H]1c1cnn(C)c1 265188556 HFPQZAMGBGRIJC-ZFWWWQNUSA-N 372.454 1.355 0 50 FDAA CN1CCO[C@H](C(=O)N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)C1=O 900485880 COUOYCLGGWPQSC-HNNXBMFYSA-N 369.425 1.035 0 50 FDAA Cc1nnc2n1C[C@H](C(N)=O)N(C(=O)c1ccc(C3CCCC3)cc1)C2 818347801 VLSJTYJISZADGK-MRXNPFEDSA-N 353.426 1.754 0 50 FDAA Cc1cc(C)cc(C(=O)NC[C@H]2C[C@H](c3nn(C)c(=O)n3C)C[C@H]2O)c1 952848407 GOKZAVGOSRFDJK-NUEKZKHPSA-N 358.442 1.020 0 50 FDAA Cn1c(O)nnc1[C@H]1[C@@H](C2CC2)CCN1C(=O)c1cnc2c(c1)CCCO2 1875401073 DYAHQOUOAPKRDU-HUUCEWRRSA-N 369.425 1.854 0 50 FDAA O=C(Cc1cnco1)N1CC[C@@]2(CO[C@H](CNC(=O)C34CC(C3)C4)C2)C1 1875408094 ODSFVUIOCPQTNE-ATWORBOESA-N 359.426 1.141 0 50 FDAA CCc1nonc1C(=O)N1CCC[C@@H](NC(=O)CC2CC(F)C2)[C@H]1C 1875407272 WKGIXSKOQODRNU-MLCFOIATSA-N 352.410 1.880 0 50 FDAA 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UFCGCIXZHWMUNR-AWEZNQCLSA-N 364.442 1.741 0 50 FDAA O=C([C@H]1CNCCN1C(=O)CCCc1c[nH]c2ccccc12)N1CCCC1 72165849 JLNWNBFJIRUPMZ-LJQANCHMSA-N 368.481 1.913 0 50 FDAA O=C(COc1ccc(F)cc1F)N1CCOC[C@@](O)(CN2CCCC2)C1 77454845 SOQCSLMPUSXPPE-GOSISDBHSA-N 370.396 1.029 0 50 FDAA O=C(C1CCC1)N1CCN(Cc2cccc(F)c2)[C@H]2CS(=O)(=O)C[C@H]21 72476162 FAGVESNHJMSAOT-DLBZAZTESA-N 366.458 1.436 0 50 FDAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCc1nc(-c2ncccn2)no1 262320980 CQKQQCYNBWRVJB-UPJWGTAASA-N 371.397 1.704 0 50 FDAA C[C@@H]1CCCN(C(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)[C@@H]1CN 237422231 MRLHSTVHMNGFIT-PVXIVEMSSA-N 351.397 1.904 0 50 FDAA Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)C3CCCC3)CC2)n1 72436802 JKBRSNCXJFGKLE-UHFFFAOYSA-N 359.474 1.460 0 50 FDAA C[C@@H]1CN(C(=O)c2csc(-c3ccc4c(c3)OCO4)n2)CC(=O)N1C 282373202 NDUYSNVDHOFBGS-SNVBAGLBSA-N 359.407 1.842 0 50 FDAA CC(C)c1nc(CN(C)C(=O)CCn2cnc3ccccc3c2=O)no1 82161267 GPXUUINLPOVVJO-UHFFFAOYSA-N 355.398 1.952 0 50 FDAA C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 241586411 OVUBXQZYPLZIFE-MGPQQGTHSA-N 367.405 1.702 0 50 FDAA C[C@H](OC(=O)[C@@H]1C[C@H]1c1ccccc1F)C(=O)N1CCC[C@H](C(N)=O)C1 241515607 OGLHNWDXWWZODV-NZBPQXDJSA-N 362.401 1.585 0 50 FDAA O=C(O)[C@H]1[C@@H](C(=O)N2CCN(Cc3cccc(F)c3)CC2)[C@H]2C=C[C@H]1C2 222443018 ZYNHHNSCGDFQLP-UOVPBQLFSA-N 358.413 1.993 0 50 FDAA NC(=O)[C@H]1CCO[C@@H]1C1CCN(C(=O)c2cncc3ccccc23)CC1 284612303 LUINCYDPLUJHSY-FUHWJXTLSA-N 353.422 1.977 0 50 FDAA Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)C2(Cn3ccnc3)CC2)cn1 222851242 WHIWRJBZLPIBFY-SJORKVTESA-N 356.426 1.719 0 50 FDAA CN(C)C(=O)N1CCCn2nc(CNC(=O)[C@]3(C)CCCCO3)cc2C1 82116401 DGZLPJCYAMKIOO-SFHVURJKSA-N 363.462 1.346 0 50 FDAA CCNC(=O)c1ccc(-c2cccc(C(=O)NC[C@H]3CNCCO3)c2)s1 426387735 PXBAGZBTPZFGDI-OAHLLOKOSA-N 373.478 1.883 0 50 FDAA CN(C)C1CCN(CCNC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 175685802 PXPUSJKVYNYCGT-MRXNPFEDSA-N 373.501 1.117 0 50 FDAA CCCn1cnnc1CNC(=O)N(C)C[C@H]1CC(=O)N(C2CCCC2)C1 426699895 HYSQIMCMYJPATG-CQSZACIVSA-N 362.478 1.621 0 50 FDAA Cc1cc(C)n(C)c(=O)c1C(=O)N1CCN(C2Cc3ccccc3C2)CC1 426716218 WGNMCELUTGAWQQ-UHFFFAOYSA-N 365.477 1.927 0 50 FDAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1ccc(-c2cncc(C(=O)O)n2)cc1 426396456 MBCWJAUAQCHFAU-IRXDYDNUSA-N 370.409 1.291 0 50 FDAA CCCCN1CCn2nc(CNS(=O)(=O)c3ccnn3CC)cc2C1 426613610 JHESGFJPSGJQCI-UHFFFAOYSA-N 366.491 1.194 0 50 FDAA O=C(O)c1ccc(S(=O)(=O)NCCN2CCc3sccc3C2)cc1 238197981 SJDKIJTXVHNSEX-UHFFFAOYSA-N 366.464 1.783 0 50 FDAA O=C(CCc1cccc(F)c1)N[C@@H]1CCN(Cc2cscn2)C[C@H]1O 426634002 REFFNTJRAXRQCS-IAGOWNOFSA-N 363.458 1.966 0 50 FDAA COCC(=O)N1CC[C@]2(O)CCN(C/C=C/c3ccccc3OC)C[C@@H]2C1 95359632 NOSJLVCUAIRMLY-NMOZIBFBSA-N 374.481 1.640 0 50 FDAA CN(C)c1ncc(NC(=O)NC2CCN(Cc3ccncc3)CC2)cn1 178899393 VCGDMUCXTAGBCL-UHFFFAOYSA-N 355.446 1.724 0 50 FDAA CN1C[C@H](c2ccccc2)CC2(CCN(C(=O)Cn3ncnn3)CC2)C1 96138616 SVAIGLYNMDSQJD-QGZVFWFLSA-N 354.458 1.401 0 50 FDAA COc1cccc([C@@H](O)CNC(=O)C2CCN(C(=O)C3CCC3)CC2)c1 95361286 HUNHVAQVXPKTHL-SFHVURJKSA-N 360.454 1.884 0 50 FDAA CCCN1CCc2[nH]cnc2C12CCN(C(=O)Cn1ccnc1C)CC2 95502790 ZGTFCEOMAGDOSZ-UHFFFAOYSA-N 356.474 1.701 0 50 FDAA O=C(NCCCOc1cccnc1)[C@H]1CC(=O)N(Cc2ccccn2)C1 91427142 NMRGWGULHZIBSQ-HNNXBMFYSA-N 354.410 1.410 0 50 FDAA CNC(=O)c1ccc(CN2CCC3(CCC(=O)N(CCCO)C3)CC2)cc1 92065427 GAWYIUBBBHJAQW-UHFFFAOYSA-N 373.497 1.633 0 50 FDAA Cn1ccnc1C1CCN(C(=O)c2ccc(N3CC(=O)NC3=O)cc2)CC1 91503725 HAUJOQZCWOGZAY-UHFFFAOYSA-N 367.409 1.496 0 50 FDAA COc1ccc(CN2CCC3(CCC(=O)N(C[C@H](C)O)C3)CC2)cc1O 92078612 ADUPRYSXDOQILG-HNNXBMFYSA-N 362.470 1.986 0 50 FDAA CN1CCC(N(C)CC(=O)N2CC[C@H](Cc3cccc(CO)c3)C2)CC1 91737639 DXJGBSHSBCBFKO-GOSISDBHSA-N 359.514 1.596 0 50 FDAA CC(C)=CCN1CCc2nc[nH]c2C12CCN(C(=O)Cn1ccnc1)CC2 97657292 UXBZQFAESVANMM-UHFFFAOYSA-N 368.485 1.948 0 50 FDAA CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)Cc2cnc3c(C)cccn23)C1 244853020 VDSPRMSRAAUWJY-HDJSIYSDSA-N 368.441 1.351 0 50 FDAA CC(=O)c1c(C)nn([C@@H](C)CC(=O)NCCCc2nnc(N)s2)c1C 243892340 AGLPFDVEBRBYTM-VIFPVBQESA-N 364.475 1.836 0 50 FDAA Cc1ccc(C)c(CC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2O)c1 244893055 YUPSNWFBXABCAL-WOJBJXKFSA-N 353.466 1.993 0 50 FDAA CN(CCC(=O)N1CCC(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 244874691 XFRSKRVHMMWABF-GOSISDBHSA-N 364.511 1.902 0 50 FDAA O=C(Cc1n[nH]c2ccccc12)N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 252535652 GNTVWPJVYGYGBJ-JOQOYGCGSA-N 350.422 1.999 0 50 FDAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)c1cn(Cc2ccccc2)nn1 299752015 SJMXFRQKGMUGTN-SFHVURJKSA-N 362.389 1.978 0 50 FDAA Cc1ccc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)cc1S(N)(=O)=O 299751257 QBMBBCDJZPQHHC-XBFCOCLRSA-N 366.439 1.500 0 50 FDAA N[C@@H]1CCC[C@@H]1C(=O)NC[C@H](O)COc1ccccc1Br 299738858 HJTAUCNWXNPJNN-GMXVVIOVSA-N 357.248 1.432 0 50 FDAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2ccc3nccnc3c2)c1O 252483730 FHLGCYFDRVUSDB-JTQLQIEISA-N 368.349 1.230 0 50 FDAA O=C(NCc1cccnc1)NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2 534672463 UAFVTBBIABOQDW-UHFFFAOYSA-N 368.441 1.420 0 50 FDAA O=C(c1ccc(-c2cccc(-n3cnnc3)c2)cc1)N1CC[C@@](O)(CO)C1 534647929 CXRNNZMSRLFQQU-FQEVSTJZSA-N 364.405 1.504 0 50 FDAA CCc1c(C)nn(CC(=O)N2CCC[C@H](c3nn(C)c(=O)n3CC)C2)c1C 67643733 RWDHLNZZXXDEMY-HNNXBMFYSA-N 374.489 1.384 0 50 FDAA O=C(c1cnoc1-c1ccccc1)N1CC[C@@H](Nc2ncccn2)[C@H](O)C1 299786249 NBWUCPBGHMLEBV-HZPDHXFCSA-N 365.393 1.819 0 50 FDAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)c1n[nH]c(N)c1-c1ccccc1)CC2 299775347 IQFSFSNKWUZBSU-BIENJYKASA-N 356.426 1.803 0 50 FDAA CC(C)n1cnnc1CCNC(=O)C1CCN(C(=O)c2ccccn2)CC1 299790679 CCDWKFLTDYNQEA-UHFFFAOYSA-N 370.457 1.465 0 50 FDAA COc1nc(-c2cccc(C(=O)NCCCn3ccnc3C)c2)nn1C 299795567 MJDMYSCDEZEIGK-UHFFFAOYSA-N 354.414 1.816 0 50 FDAA O=C(O)[C@@H]1CCCN(S(=O)(=O)NCc2coc(-c3ccccc3)n2)C1 576750701 IHRLLJVKVLXSJD-CYBMUJFWSA-N 365.411 1.473 0 50 FDAA CCn1cc(S(=O)(=O)NCCCc2nc3ccc(F)cc3[nH]2)cn1 823603438 LFRJMFXPGOPQHK-UHFFFAOYSA-N 351.407 1.830 0 50 FDAA CN(Cc1ccccc1CN1CCCC1)C(=O)NCc1nnc(N)s1 584892099 MSSXDBLRZJXOFO-UHFFFAOYSA-N 360.487 2.058 0 50 FDAA CC(C)c1noc([C@H]2CCCCN2C(=O)[C@H]2CCCN(CC(N)=O)C2)n1 952964781 QJUUULXFQONQHK-UONOGXRCSA-N 363.462 1.444 0 50 FDAA COC[C@H]1CCCN(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)C1 952971855 LNTSUHNBQBTPGU-SFHVURJKSA-N 367.515 1.407 0 50 FDAA Cc1nc(-c2ccc(NC(=O)c3cn(C[C@@H]4CCCNC4)nn3)cc2)n[nH]1 952969317 MRCYPWFATKUCOL-CYBMUJFWSA-N 366.429 1.624 0 50 FDAA COCc1cc(CNc2nc(-c3ccncc3)nc3c2cnn3C)n[nH]1 72479111 GFARZESQMNQRQW-UHFFFAOYSA-N 350.386 1.907 0 50 FDAA COC[C@H]1[C@@H](NC(=O)c2cc(OC)c(OC)cc2OC)[C@H]2CCO[C@H]21 1565509542 RACWCVDPBZESNG-NIFQBXOSSA-N 351.399 1.492 0 50 FDAA CCOc1ccc(S(=O)(=O)N[C@H]2CCCO[C@@H]2c2cnn(C)c2)cn1 275228446 CXQMNOMLPCHNQW-GOEBONIOSA-N 366.443 1.412 0 50 FDAA CNc1cc(N2CCC[C@@H]2CNc2cc(N3CCOCC3)ncn2)ncn1 277464539 OISDMYICRWEYAC-CQSZACIVSA-N 370.461 1.226 0 50 FDAA Cc1nc(O)c(C(=O)N2CCN(c3ncccc3C(N)=O)CC2)c(C)c1C 1506401985 HSRXQURASKZOSK-UHFFFAOYSA-N 369.425 1.169 0 50 FDAA COc1ccccc1-c1c(C)nn(C)c1NC(=O)[C@@H](C)N1CCN(C)CC1 1529114666 RVBSYUMFGGTFPU-OAHLLOKOSA-N 371.485 1.979 0 50 FDAA CN(C)C(C)(C)CNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl 1529125953 DFIXETUPPBUROS-CABCVRRESA-N 353.850 1.353 0 50 FDAA O=C1CO[C@H](C(=O)NCc2cc(-c3ccco3)on2)[C@@H](c2ccccc2)N1 1529112232 GYWBNSFDHYBHOL-MSOLQXFVSA-N 367.361 1.807 0 50 FDAA OCCN(Cc1ncc[nH]1)Cc1cc2ccccc2nc1N1CCOCC1 1704326577 HVDGJAWKXNLFJE-UHFFFAOYSA-N 367.453 1.789 0 50 FDAA O=C1COc2ccc(S(=O)(=O)N3CCC[C@@]4(CCC[C@H]4O)C3)cc2N1 1704301195 OPKLFEASHVQAIV-WBVHZDCISA-N 366.439 1.333 0 50 FDAA O=C(Cc1ccc(CO)cc1)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CCC1 213401917 KIEFDEIYQYMWRS-MOPGFXCFSA-N 356.466 1.971 0 50 FDAA Cc1cc2nc(C(=O)N[C@H]3COC[C@H]3Cc3ccncc3)cc(C)n2n1 1704352351 DPRGTMUTIQZMOB-WBVHZDCISA-N 351.410 1.729 0 50 FDAA CCCCN(C)Cc1ccc(C(=O)NCc2c(C)nn(C)c2C)c(=O)[nH]1 11973800 ZDDBGRXTKOSQMG-UHFFFAOYSA-N 359.474 1.887 0 50 FDAA O[C@@H]1CN(Cc2ccncc2)CC[C@H]1N1CCN(c2ccccc2F)CC1 12448040 ARIMMTGGOCRSCK-NHCUHLMSSA-N 370.472 1.978 0 50 FDAA O=C(NCCc1ccccc1)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 12575928 JSYNBVFEOPMKSK-SFHVURJKSA-N 371.481 1.596 0 50 FDAA CC1(C)C(=O)NCCN1C[C@@]1(O)CCCN(CCCc2ccccc2)C1=O 12718069 KMWSVNYCSDQGSE-NRFANRHFSA-N 373.497 1.183 0 50 FDAA COc1cccc(CN2CC[C@@H](N3CCC(O)CC3)[C@H](O)C2)c1OC 14977104 QWLNAUDEZGQGNO-IAGOWNOFSA-N 350.459 1.096 0 50 FDAA Cc1nn(C)cc1CN(C)C[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1=O 15077049 DXKQCGOTUDKJBP-FQEVSTJZSA-N 374.460 1.853 0 50 FDAA Cc1nn(CC(=O)N2CCC(n3cc(CO)nn3)CC2)c(C)c1Cl 19147643 TZTJSAQKDBJRIG-UHFFFAOYSA-N 352.826 1.101 0 50 FDAA O=C(c1ccccn1)N1CCC[C@]2(C1)CN(c1ncc(F)cn1)CC[C@H]2O 1857689106 FBQIKSBQGJOULO-APWZRJJASA-N 371.416 1.504 0 50 FDAA CCC(CC)C(=O)N1CCC[C@@]2(CN(CC(=O)NC3CC3)CC[C@H]2O)C1 1857691568 QITISQJOGFTSQF-YLJYHZDGSA-N 365.518 1.377 0 50 FDAA COCC1CCN(C(=O)[C@H]2CC(=O)N(c3nnc(C(C)C)s3)C2)CC1 1857695623 RIOHBVAKWYUGJG-ZDUSSCGKSA-N 366.487 1.899 0 50 FDAA CCS(=O)(=O)NC[C@H]1[C@H]2CN(Cc3ccc(C)s3)C[C@]23CC[C@H]1O3 1875242990 KNWJFIRMSPKHNW-YLFCFFPRSA-N 370.540 1.975 0 50 FDAA CN1C(=O)[C@H]2COC[C@@H]1CN(Cc1cc(O)c3cccc(Cl)c3n1)C2 1875249454 UHKMDCIKNZLXKN-YPMHNXCESA-N 361.829 1.883 0 50 FDAA CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)c1cccnc1)C(=O)O 2555035 PRHRBXNIOXCRQY-ZDUSSCGKSA-N 351.403 1.960 0 50 FDAA in-vitro Cc1oc(-c2cccs2)nc1CC(=O)N1CCO[C@@H](CC(=O)O)C1 237663143 XRTIXOUSCCBHIV-NSHDSACASA-N 350.396 1.956 0 50 FDAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(Cc1cc3ccccc3n1C)C2 247991351 LNABHDGPTFEAIR-SJORKVTESA-N 368.481 1.689 0 50 FDAA CCc1nnc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2c(C)noc2C)o1 252253068 MARNUYRSFDYKQH-KGLIPLIRSA-N 359.430 1.860 0 50 FDAA CCOc1ccc(S(=O)(=O)Nc2cn(C)nc2OC)cc1C(=O)O 473486801 FCDGJQZGCJBSMZ-UHFFFAOYSA-N 355.372 1.326 0 50 FDAA CN1CCC[C@@H](N2CCN(C(=O)c3ccc(Cn4ccnc4)cc3)CC2)C1 363539294 ILPOFDFQFLAZBN-HXUWFJFHSA-N 367.497 1.783 0 50 FDAA Cc1cc2[nH]c(CN3CCC[C@@]4(CCc5cnc(C)nc54)C3)cc(=O)n2n1 1704333313 YSAFESFBVROVKQ-HXUWFJFHSA-N 364.453 1.909 0 50 FDAA CCCC(=O)N1CCS(=O)(=NS(=O)(=O)c2ccc(C)cc2)CC1 808269112 AQUKLCAOWUWJBR-UHFFFAOYSA-N 358.485 1.794 0 50 FDAA O=C(NCC1CCNCC1)NC[C@@H](O)c1ccccc1Br 841924462 ZOFGJOGUKUTGST-CQSZACIVSA-N 356.264 1.781 0 50 FDAA Cc1noc([C@H]2CC(=O)N(C3CN(Cc4cc5n(n4)CCCC5)C3)C2)n1 864313018 OJZVODNNRBKILJ-ZDUSSCGKSA-N 356.430 1.111 0 50 FDAA Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC1CS(=O)(=O)C1 1875271079 MVTBDLHSUGXMCP-UHFFFAOYSA-N 353.831 1.420 0 50 FDAA C[C@H](CNC(=O)c1ccc(Nn2ccnc2)cc1)CN1CCN(C)CC1 1875270454 ZEPREXLNEUZDMB-MRXNPFEDSA-N 356.474 1.372 0 50 FDAA CC(=O)N1CC[C@@H](C(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)C1 1875269791 ABYSTCLZPTXZAJ-QGZVFWFLSA-N 373.453 1.772 0 50 FDAA CC[C@@H]1CN(C(=O)C(=O)N[C@H](Cc2ncc[nH]2)c2ccccc2)CC[C@@H]1N 1875266190 VBPKVOLXRUOTAQ-HYVNUMGLSA-N 369.469 1.396 0 50 FDAA CN(C)C/C=C/C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1CO 1875377234 WEZXRCPDLUYRKX-KXLSMFKISA-N 355.479 1.228 0 50 FDAA COc1ccc(CN[C@@H]2CCN(c3nc(C(N)=O)nc(C)c3C)C2)cc1F 1875397246 RJYUDGYNLGNBBW-CQSZACIVSA-N 373.432 1.709 0 50 FDAA O=C(CCc1cnc[nH]1)N1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 1875308896 GPQWJVLAFCJUMQ-UHFFFAOYSA-N 369.400 1.947 0 50 FDAA C[C@H](C(=O)O)n1cc(-c2ccc(C(=O)N(C)Cc3ccn(C)n3)cc2)nn1 1875357075 ZLMAMRVRIOPUJH-GFCCVEGCSA-N 368.397 1.596 0 50 FDAA O=C(NC[C@@H]1CCCCN1C(=O)[C@H]1CC12CC2)[C@@H]1CCCc2ncnn21 1875407904 JXNUNKIYPJUSJH-ZNMIVQPWSA-N 357.458 1.453 0 50 FDAA CN1C(=O)CC[C@@H](NC(=O)c2cccc3nc[nH]c23)[C@@H]1c1nccn1C 886096878 INZZAKWHOCFTDI-CZUORRHYSA-N 352.398 1.388 0 50 FDAA Cc1noc(C[C@@]2(O)CCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)n1 886096864 LXQKZXSSXJQARQ-SFHVURJKSA-N 359.382 1.245 0 50 FDAA CC(=O)NCc1cc(O[C@@H]2CCN(Cc3noc(C4CC4)n3)C2)ccn1 886068728 LNJBRNRSWZVCDT-MRXNPFEDSA-N 357.414 1.631 0 50 FDAA CCc1cc(C)c(C(=O)N2CC(N3C[C@H](c4nc(C)no4)CC3=O)C2)o1 888098951 YYHYIMVRALIBAX-GFCCVEGCSA-N 358.398 1.682 0 50 FDAA O=C(O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)c1 784159 MAKXWEYYRGLODM-UHFFFAOYSA-N 374.418 1.532 0 50 FDAA CCCN1CCC[C@@]2(CCCN2S(=O)(=O)c2c(C)n[nH]c2C)C1=O 2356152050 OEWSTVXAWSEYMO-MRXNPFEDSA-N 354.476 1.582 0 50 FDAA CCC[C@@]1(C(=O)O)CN(CC(=O)NCc2ccccc2OC)CC[C@H]1O 2356157029 BBNVCCFZQCFNQX-VQIMIIECSA-N 364.442 1.249 0 50 FDAA COCCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1OC 6719315 KHEKQRBGRZPMOO-WCQYABFASA-N 356.469 1.416 0 50 FDAA Cc1ccc(NC(=O)[C@H](C)NC(=O)CSc2nnc(N)s2)c(F)c1 55368755 GGSLQCXDEZCFDT-QMMMGPOBSA-N 369.447 1.803 0 50 FDAA O=C(CN1CCC[C@H](C(=O)N2CCOCC2)C1)Nc1ccc(Cl)cn1 54887384 GIAMXAOSLYOEHB-ZDUSSCGKSA-N 366.849 1.244 0 50 FDAA CCN1CCN(Cc2ccccc2CNC(=O)C(F)(F)C(C)(C)O)CC1 225392212 NWXUMSANGROJRW-UHFFFAOYSA-N 369.456 1.847 0 50 FDAA CCOC(=O)[C@@H]1CS[C@@H](CC(=O)Nc2ccc(CC)cc2)C(=O)N1 9484039 GORCICKPUHFCAP-KBPBESRZSA-N 350.440 1.741 0 50 FDAA CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc2c(c1)OCO2 101469382 MNCHZQOTNGJPLM-SGMGOOAPSA-N 366.439 1.486 0 50 FDAA Cc1cc(CN2CCN(C(=O)c3cnc(-c4cnn(C)c4)s3)CC2)on1 112193878 OJRGMEIYAQFASU-UHFFFAOYSA-N 372.454 1.798 0 50 FDAA C[C@@H](Cc1ccccc1)C(=O)N1CCn2nc(C(=O)NC3CC3)cc2C1 65508990 WBQVOFDHYFPKGI-AWEZNQCLSA-N 352.438 1.996 0 50 FDAA O=C(c1ccco1)N1CCN(C(=O)c2ccccc2N2CCOCC2)CC1 61109741 STBBVTLCKAWOCL-UHFFFAOYSA-N 369.421 1.714 0 50 FDAA CN1CCC(N2CCC[C@H](NC(=O)CCCN3CCCCC3=O)C2)CC1 20453181 MODZGIRXUYFTLS-KRWDZBQOSA-N 364.534 1.454 0 50 FDAA CCOC(=O)c1cn[nH]c1S(=O)(=O)NC[C@@H](C)N1CCCC[C@H]1C 248321788 VGZSPJHOASQZJV-VXGBXAGGSA-N 358.464 1.128 0 50 FDAA O=C(O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1Br 20475506 HCTKRFNTPNLLQP-QMMMGPOBSA-N 352.231 1.597 0 50 FDAA CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cccc(NC(=O)C2CCCC2)c1 67692499 MSDRPOLXKKLCNZ-ZBFHGGJFSA-N 358.442 1.103 0 50 FDAA CN(Cc1csc(-c2ccccc2)n1)C(=O)C[C@@H]1C(=O)NCCN1C 11843382 RRZZNECADFZTRD-OAHLLOKOSA-N 358.467 1.589 0 50 FDAA CN(C)C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1 72148414 SIDXPZYNIJMCHI-OAHLLOKOSA-N 364.870 1.946 0 50 FDAA O=C([C@@H]1COc2ccccc2C1)N1CCC(C(=O)O)(n2ccnc2)CC1 72456883 UDOTVOKEAGLRKS-HNNXBMFYSA-N 355.394 1.537 0 50 FDAA CC(C)(C)NC(=O)COc1ccc(CN2CCC[C@@](O)(CO)CC2)cc1 216533249 WYDAKTVTXFNCHH-FQEVSTJZSA-N 364.486 1.689 0 50 FDAA O=c1[nH]cnc2c1CCN(S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)C2 72164095 HJFTVCKANHUHNF-UHFFFAOYSA-N 374.249 1.965 0 50 FDAA CC(C)Cn1cncc1CNC(=O)C[C@@H]1C(=O)NCCN1C1CCCC1 72158724 TZHNQMRVIRZNJN-QGZVFWFLSA-N 361.490 1.288 0 50 FDAA CS[C@@H]1CN(Cc2cc(=O)n3ccsc3n2)C[C@H]1N1CCCC1 252512310 PGIVEXRCUPZBJG-ZIAGYGMSSA-N 350.513 1.768 0 50 FDAA Cc1ccc2c(c1)N(CC(=O)NCCCc1csc(N)n1)C(=O)CO2 219495224 MXMSOVQWEPTDDA-UHFFFAOYSA-N 360.439 1.508 0 50 FDAA CC(=O)Nc1cccc(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)c1 71707801 RTNBGQWPSXCMDD-LBPRGKRZSA-N 352.334 1.597 0 50 FDAA CN(C)c1ccc(N[C@H]2CCCN(C(=O)C[C@@H]3N=C(O)N=C3O)CC2)cn1 328654108 XEYGTTKCDBHGFX-JSGCOSHPSA-N 374.445 1.583 0 50 FDAA COc1ccc(F)c(F)c1CN1CCN(c2ccnc3nncn23)CC1 214986813 OHHSXGYJTHBEGA-UHFFFAOYSA-N 360.368 1.733 0 50 FDAA CCN1CCN(C[C@H](C)CNC(=O)c2cc3c(C)nn(C)c3s2)CC1 122253403 PBGPIGIBYLLAKI-CYBMUJFWSA-N 363.531 1.947 0 50 FDAA CC(C)(O)CCc1cccc(C(=O)N[C@@H]2CCOC[C@H]2OCC(=O)O)c1 218813519 YVRMUONBASMRQV-HZPDHXFCSA-N 365.426 1.379 0 50 FDAA CCc1cc(C(=O)N2CCN(C(=O)c3cccc(OC)c3)CC2)cc(=O)[nH]1 181224678 BNSDZALLFOHHMC-UHFFFAOYSA-N 369.421 1.544 0 50 FDAA CC(=O)NCCOc1ccc(C(=O)N2CCC3(CCNCC3)CC2)cc1 71759037 HCWDLIKWANNAHF-UHFFFAOYSA-N 359.470 1.807 0 50 FDAA Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)c2cc3c([nH]c2=O)CCCC3)C1 77422121 RIRINHSOVIEFMJ-AWEZNQCLSA-N 368.437 1.722 0 50 FDAA COc1ccccc1N1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 363390846 WVOMYGQNEFOHFC-IRXDYDNUSA-N 374.485 1.390 0 50 FDAA COc1ccccc1N1CCN([C@H]2CN(C(=O)C3(C)CC3)C[C@@H]2O)CC1 71639272 HMZBMITZWZOXCN-IRXDYDNUSA-N 359.470 1.189 0 50 FDAA C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 330628626 LXEDIVDYTOXWMW-LKFCYVNXSA-N 350.362 1.300 0 50 FDAA Cc1cc(C)n(CCNC(=O)c2cccc(CCC(C)(C)O)c2)c(=O)n1 72453952 FSMIMZCLIKGZIJ-UHFFFAOYSA-N 357.454 1.994 0 50 FDAA CCCc1cc(C(=O)N2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)no1 72128919 ZVARNLNPUVDULK-UHFFFAOYSA-N 365.393 1.971 0 50 FDAA CN1CCc2ncnc(NC[C@@H]3CC(=O)N(C)[C@H]3c3ccccc3)c2C1 366531622 INYWDXDSSUQOFG-KXBFYZLASA-N 351.454 2.096 0 50 FDAA CC(=O)c1ccc(N2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C2CC2)C3)nc1 72120677 POZJUSNMODOMCR-INIZCTEOSA-N 371.437 1.966 0 50 FDAA O=C(C[C@H]1COCCN1)N1CCN(CCCOc2ccc(F)cc2)CC1 72150026 XVSGYSDCCTWFSB-KRWDZBQOSA-N 365.449 1.117 0 50 FDAA Cc1c[nH]c(CN2CCn3nc([C@H](O)c4nccn4C)cc3C2)c(C)c1=O 218920730 MWAUAQCTYYEYDS-SFHVURJKSA-N 368.441 1.019 0 50 FDAA O=C(NCc1csc(Cc2ccccc2)n1)[C@H]1NCCc2[nH]cnc21 72431987 VSETWRYFUZRWBS-KRWDZBQOSA-N 353.451 1.960 0 50 FDAA Cc1nc([C@@H]2CCCN2S(=O)(=O)c2cccc(C(=O)N(C)C)c2)n[nH]1 215418834 YERRIRIGRDEIHE-AWEZNQCLSA-N 363.443 1.341 0 50 FDAA Cc1ccc(OC2(C(=O)O)CCN(C(=O)Cc3nonc3C)CC2)cc1 72475333 LSUJHIZEPVVLTQ-UHFFFAOYSA-N 359.382 1.754 0 50 FDAA CCc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3ccnn3C)CCO2)n1 284655515 TYCHXKPRBAKEMN-IVMMDQJWSA-N 374.445 1.168 0 50 FDAA COc1ccc(C(F)(F)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 158985763 BIWIKHNWDREAQB-OAHLLOKOSA-N 368.380 1.637 0 50 FDAA Cn1cc([C@@H](NC(=O)CCc2ccc3c(c2)OCO3)C2CC(O)C2)cn1 223221088 YWFFUWQIRJFUDF-XBMPDCEQSA-N 357.410 1.710 0 50 FDAA COc1ccccc1C1CCN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)CC1 222285412 BYXUQYKIUNWSIY-UHFFFAOYSA-N 357.410 1.329 0 50 FDAA Cc1cc(N2CCC(NC(=O)N3CCN4CCC[C@@H]4C3)CC2)nc(C)n1 176883294 WXUWXXAIIZVMBS-QGZVFWFLSA-N 358.490 1.552 0 50 FDAA CNCc1nnc(SCCS(C)(=O)=O)n1-c1cccc(Cl)c1 426408950 NHQUDMGYYJUFCJ-UHFFFAOYSA-N 360.892 1.777 0 50 FDAA Cc1cc(O)n2nc(CC(=O)N3CC(Oc4ccccc4C)C3)nc2n1 220520621 CGUIJHNHCKCRKT-UHFFFAOYSA-N 353.382 1.279 0 50 FDAA CCc1nc(S(=O)(=O)N[C@@H]2COCC[C@@H]2OCc2cscn2)c[nH]1 223363993 IQCDJJWJRUQMTQ-NEPJUHHUSA-N 372.472 1.081 0 50 FDAA Cc1cccc(N2CCN(CCC(=O)NCCCn3ccnn3)CC2)c1 95368525 DXVXNVOXIYNGIE-UHFFFAOYSA-N 356.474 1.305 0 50 FDAA Cc1nc(C)n(CCCNC(=O)Cn2nc(C)c3ccccc3c2=O)n1 91289324 UJRPDHGQBWMODM-UHFFFAOYSA-N 354.414 1.120 0 50 FDAA Cc1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccc(F)cc2)cc1OCCN 426746332 RUDXEIPGUJWCTA-GOSISDBHSA-N 371.412 1.785 0 50 FDAA Cc1ccc(CN2CCC(CN(C)C(=O)[C@@H]3NCCc4[nH]cnc43)CC2)o1 95519186 UXDHNQOIXNZVLS-LJQANCHMSA-N 371.485 1.869 0 50 FDAA COCCNC(=O)c1ccc(NC(=O)NCCc2cnccn2)c(C)c1 96132325 HCTMUYATNCNYDF-UHFFFAOYSA-N 357.414 1.525 0 50 FDAA CCn1c(=O)n(CC)c2cc(NC(=O)NCCN3CCNC3=O)c(C)cc21 96165179 MKRIUJXCOLABDN-UHFFFAOYSA-N 374.445 1.298 0 50 FDAA Cn1cc(C(=O)N2CC[C@]3(CCCN(CC4CCC4)C3=O)C2)ccc1=O 91518786 ASJCVSVGPBBEJD-HXUWFJFHSA-N 357.454 1.640 0 50 FDAA O=C(O)[C@@H]1CN(C(=O)CCCN2CCOCC2)C[C@H]1c1cccc(F)c1 91860887 SVBDVCGTOFDFBJ-DLBZAZTESA-N 364.417 1.565 0 50 FDAA Cc1ccc(F)c(CN2CCCn3nc(CNS(C)(=O)=O)cc3C2)c1 92106962 YMTONJDJHLOQDR-UHFFFAOYSA-N 366.462 1.786 0 50 FDAA Cc1cnc2c(C(=O)NC[C@@H](O)COc3ccc(Cl)cc3)cnn2c1 97619536 SSDBTLRHGJSTJB-CYBMUJFWSA-N 360.801 1.861 0 50 FDAA Cn1ncc(I)c1C(=O)N1CC[C@H](n2cccn2)C1 292317601 JZAFONBCNPBAHP-VIFPVBQESA-N 371.182 1.308 0 50 FDAA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1ccc(Cn2cnnn2)cc1 97413324 ZERXSFVCXXIBKC-INIZCTEOSA-N 353.430 1.763 0 50 FDAA COc1ccc(CN2C[C@@H](CN3CCOCC3)[C@@H](CO)C2)c(OC)c1C 91966022 IQFRQLBNOLJUTK-QZTJIDSGSA-N 364.486 1.385 0 50 FDAA O=C(COc1cccc(F)c1)N1C[C@H](CO)C[C@H](CN2CCCC2)C1 91664175 GAHAEUDOXIKVHT-HZPDHXFCSA-N 350.434 1.757 0 50 FDAA COCC(=O)N1CCC[C@H](C(=O)NCc2csc(CSC)n2)C1 97572216 PAAPRJDIQBBYNZ-NSHDSACASA-N 357.501 1.507 0 50 FDAA CCc1nc(-c2ccccc2-n2cncn2)n([C@H]2CCS(=O)(=O)C2)n1 96132448 CKWCZKGPRWPXGP-LBPRGKRZSA-N 358.427 1.448 0 50 FDAA O=C(NCCn1cccn1)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O 91664792 HDMTVWCVHIJJLB-UHFFFAOYSA-N 367.453 1.864 0 50 FDAA CCCn1ncc(C(=O)N2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)c1C 95377061 VWBAVDFISLZALR-AWEZNQCLSA-N 362.430 1.139 0 50 FDAA CN(CC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccc3c(c2)OCO3)C1)C1CCCC1 91693971 HUSCMUVMWYRCPM-JKSUJKDBSA-N 374.437 1.916 0 50 FDAA O=C(C1CCN(C2CCOCC2)CC1)N1CCC[C@H](c2cc(=O)[nH]cn2)C1 97480448 KIPBHLATQJBXKS-INIZCTEOSA-N 374.485 1.367 0 50 FDAA O=C(N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1cnc2c(O)cccn2c1=O 244716312 LMUQTAXGYPGJAB-RWSFTLGLSA-N 371.418 1.704 0 50 FDAA CCOc1cccc(OCCN2CCN(c3ccnc4nncn34)CC2)c1 240499943 NPIBFEXRIGEMMR-UHFFFAOYSA-N 368.441 1.724 0 50 FDAA Cn1c(N2CC[C@H](O)C2)nc2cc(C(=O)N[C@H]3CC[C@H](O)CC3)ccc21 244701086 JZWFPBIIVBDWHB-KKUMJFAQSA-N 358.442 1.178 0 50 FDAA CN(C(=O)c1ccc(C(=O)O)nc1)[C@@H]1CCN(c2ccccc2F)C1=O 299751304 QGHZZUASFUOOJU-OAHLLOKOSA-N 357.341 1.796 0 50 FDAA Cc1c(C(=O)N2CCO[C@@H](C(=O)O)C2)nnn1-c1ccc2ncccc2c1 299752903 VYELXSITXQRMQT-OAHLLOKOSA-N 367.365 1.050 0 50 FDAA COc1cccc(C(=O)NCC(=O)N2CCC(Cn3cccn3)CC2)c1 183646837 GMVMEJDORVJWBS-UHFFFAOYSA-N 356.426 1.560 0 50 FDAA Cc1cccc(Cn2cccc(C(=O)N3CCOC[C@H]3C(=O)O)c2=O)c1 299748541 HKNIPTIFIKFCKC-INIZCTEOSA-N 356.378 1.131 0 50 FDAA O=C(N[C@@H](CO)Cc1ccccc1)C1CCN(c2ccc(O)nn2)CC1 252548523 PZRIZXYMZFXGMN-MRXNPFEDSA-N 356.426 1.118 0 50 FDAA Cc1cccc(-c2noc(CNC(=O)[C@H]3CCCCn4nnnc43)n2)c1 299789263 YJGHWYCTNQEVAR-ZDUSSCGKSA-N 353.386 1.615 0 50 FDAA COc1cccc(-c2ncc(CNC(=O)CN3CCC[C@H](O)C3)s2)c1 299788582 VCRIVFKZCBHMRV-AWEZNQCLSA-N 361.467 1.892 0 50 FDAA CO[C@@]12CC[C@@H](OCC(=O)O)C[C@@H]1N(C(=O)c1ccc(CO)o1)CC2 299768112 IXWCJZRBZIGBQV-HYSWKAIVSA-N 353.371 1.025 0 50 FDAA CC1(C)C[C@@H](NC(=O)C(=O)NC[C@@H]2CCC23CCOCC3)C(C)(C)O1 1332866438 GPAFCCNUKMTDBV-UONOGXRCSA-N 352.475 1.772 0 50 FDAA CC(C)[C@H]1CN(C(=O)CCn2cc(Cl)cn2)C[C@@H]1NC(=O)N(C)C 1565509516 BUZCSLUFJPVAOP-KGLIPLIRSA-N 355.870 1.681 0 50 FDAA O=C(N[C@H]1CCOC[C@@H]1OCc1ccccc1)c1ccc2nnnn2c1 1565513717 GIBHFDIPMWMFJK-HOTGVXAUSA-N 353.382 1.228 0 50 FDAA CCCn1nccc1S(=O)(=O)N[C@H]1CCOC[C@@H]1Oc1ccccn1 1565525907 FAGIENJKCQLRGR-KBPBESRZSA-N 366.443 1.203 0 50 FDAA CSCCCN1C(=O)CC[C@@H]2CN(C(=O)c3cc(O)n[nH]3)CC[C@@H]21 1565530479 RFHKTMBDHNJUJT-YPMHNXCESA-N 352.460 1.322 0 50 FDAA CC(=O)c1c(C)nn(CCC(=O)N2C[C@@H]3CC[C@H]2CN(C(C)=O)C3)c1C 1565528264 KGAJEOCNVDNCTK-SJORKVTESA-N 360.458 1.562 0 50 FDAA CN(CC(=O)N1CCC(C(=O)O)CC1)[C@H]1CCCN(c2ccccc2)C1 408513946 PJMMDQKAEJDEAO-SFHVURJKSA-N 359.470 1.910 0 50 FDAA O=S(=O)(c1ccc2c(c1)OCO2)N1CCOCC2(CCOCC2)C1 273074775 JZBKUADAXLMASY-UHFFFAOYSA-N 355.412 1.233 0 50 FDAA C[C@@H](C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)N1CCN(C)CC1 273451395 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373.409 1.308 0 50 FDAA COCCN1CCC[C@@H](CNC(=O)c2cnc(N)nc2-c2ccccc2)C1 299771407 WKYVHOLVNIBGJG-HNNXBMFYSA-N 369.469 1.814 0 50 FDAA O=C(CCc1n[nH]c2c1CCCC2)NCc1cccc(-c2nnn[nH]2)c1 299786807 XOMUDLIOUJZIQP-UHFFFAOYSA-N 351.414 1.718 0 50 FDAA CCS(=O)(=O)N1CCC2(CC1)CN(Cc1coc(C(C)C)n1)CCO2 823412984 DGQZTDOVDMBDHY-UHFFFAOYSA-N 371.503 1.815 0 50 FDAA O=C(C1CC1)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(CC2CCC2)CC1 888103777 YIVZCVYMLJHMOC-QZTJIDSGSA-N 360.502 1.656 0 50 FDAA CCn1nc(C(C)C)cc1C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1O 1565508457 WAPXKVBYRHQJAB-LPHOPBHVSA-N 371.485 1.787 0 50 FDAA CCSc1ncc(CN2CC[C@H](NC(=O)c3ccncc3)[C@@H](O)C2)cn1 1565507775 NCSCSRBJURCANU-HOTGVXAUSA-N 373.482 1.349 0 50 FDAA COCC(=O)N1CC[C@@]2(O)CCN(C/C=C/c3ccccc3OC)C[C@H]2C1 1565509034 NOSJLVCUAIRMLY-QLAXGMPUSA-N 374.481 1.640 0 50 FDAA Cc1nn(CCC(=O)N[C@H]2COCC[C@@H]2Oc2ccccn2)c(C)c1C 1565509524 MQXAVNCKBUAIKI-IRXDYDNUSA-N 358.442 1.946 0 50 FDAA CC(=O)N[C@H](CC(=O)N1CCO[C@H](CC(=O)O)C1)c1ccc(Cl)cc1 268945392 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O=C(c1ccc2c(c1)OCO2)N1CC[C@@H](O)[C@@](CO)(Cc2ccccc2)C1 1857713593 RKBZJGPRWYUMKD-CTNGQTDRSA-N 369.417 1.844 0 50 FDAA COCCn1cncc1CN1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857724216 QAKJQOWNCLBGSO-UAFMIMERSA-N 357.454 1.098 0 50 FDAA COc1ccc(C(=O)N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)cc1OC 1857731031 IDKBZQBAMBXDCU-QCBUCWTNSA-N 360.454 1.885 0 50 FDAA CC(=O)N1C[C@@H]2[C@H](CNC(=O)c3cc(F)cc(F)c3)[C@H]3CC[C@]2(C1)O3 1857734191 NKGHCLFMNITNKC-BVIKNXMNSA-N 350.365 1.721 0 50 FDAA O=C(Cc1noc2ccccc12)N[C@H]1C[C@H](C(=O)NCC2CC2)C[C@@H]1O 1857739841 VHAWGMADXNVYKY-RCBQFDQVSA-N 357.410 1.152 0 50 FDAA CN1CCc2cc(-c3ccc(S(=O)(=O)N4CCNCC4)cc3)cnc21 1875247971 XAZNWJYLBMBIGI-UHFFFAOYSA-N 358.467 1.335 0 50 FDAA Cc1cc(N2CCN(CC(=O)NC(C)C)CC2)ncc1Br 225517940 KIXZYOJJGJQKBL-UHFFFAOYSA-N 355.280 1.799 0 50 FDAA Cc1nc2n(n1)C[C@@H](NCc1c(C(C)C)nn(C)c1N1CCOCC1)CC2 236621427 IWGNYEYOGSKYSI-HNNXBMFYSA-N 373.505 1.385 0 50 FDAA Cc1cnc(C)c(-c2ccc3c(c2)C[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)O3)n1 11871698 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2325889429 PUXJRYFKOTYYGY-CQSZACIVSA-N 356.426 1.881 0 50 FDAA CN(C)C/C=C/C(=O)N1CCC(c2nccc(N3CCOCC3)n2)CC1 2325890788 JEGLURFWMFCIJL-ONEGZZNKSA-N 359.474 1.137 0 50 FDAA COc1cc([C@H]2SC(NC(C)=O)=NN2C(C)=O)cc(OC)c1OC 647182 WRNSQWXGSHGREH-CQSZACIVSA-N 353.400 1.713 0 50 FDAA C[C@H]1CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2)C1 808402 CSWWXNONDRMKNW-ZDUSSCGKSA-N 353.426 1.708 0 50 FDAA COc1ccc(C(=O)N2CCC[C@@]23CCCN(CCO)C3=O)cc1OC 2356138590 MWAKQGRLQDTVKX-LJQANCHMSA-N 362.426 1.293 0 50 FDAA CS(=O)(=O)N(CC(=O)NCc1cccnc1)Cc1ccc(Cl)cc1 6492374 LNBGBCKZEMAOIC-UHFFFAOYSA-N 367.858 1.813 0 50 FDAA C[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 7656483 ZYWHKHYNHPFCBW-AWEZNQCLSA-N 352.456 1.580 0 50 FDAA COc1ccc(S(=O)(=O)NC[C@H](C)CN2CCCC2)cc1NC(C)=O 55265531 UOUPGUYINNVGLI-ZDUSSCGKSA-N 369.487 1.664 0 50 FDAA CCc1cc(N2CCN(Cc3ncnn3CC)CC2)nc(N2CCCC2)n1 65424684 PHVGZMGJFWRAHU-UHFFFAOYSA-N 370.505 1.573 0 50 FDAA C[C@@]1(O)CCN(C(=O)CCCN2CCOCC2)C[C@@H]1Cc1ccccc1 67490004 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O=C(c1ccc2nccnc2c1)N1CCC(C(=O)O)(n2ccnc2)CC1 72481210 TWMGLVMULSBMBK-UHFFFAOYSA-N 351.366 1.542 0 50 FDAA Cn1cncc1[C@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)cnc2N)CCO1 328617012 CHBAXPACISEMET-CMPLNLGQSA-N 371.850 1.249 0 50 FDAA CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@H]3c3ncc[nH]3)cc21 374756214 XZKKPURETXIXOH-HNNXBMFYSA-N 360.439 1.845 0 50 FDAA Cc1ccccc1S(=O)(=O)N1CCCn2nc(CCC(=O)O)cc2C1 72453893 VMUCKVVNEINBLL-UHFFFAOYSA-N 363.439 1.803 0 50 FDAA CN(Cc1cnc(N(C)C)nc1)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C 284990926 YATLYRVICFTUTQ-FUHWJXTLSA-N 357.506 1.791 0 50 FDAA CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 330605935 MYNXLUFEAIHXKV-GFCCVEGCSA-N 368.352 1.990 0 50 FDAA Cc1cc(CNC(=O)C[C@H]2COc3ccc(C(=O)N(C)C)cc3N2C)n[nH]1 71681664 SFXVIZZRTMUQKF-HNNXBMFYSA-N 371.441 1.324 0 50 FDAA Cc1c(Cl)c(C(=O)NCC2(N3CCN(C)CC3)CCCC2)nn1C 215345246 BLKCHDZLEZQIAO-UHFFFAOYSA-N 353.898 1.672 0 50 FDAA Cc1nc(NCCNS(=O)(=O)c2ccccc2Cl)cc(N(C)C)n1 38488306 XNGSMWPKXOFDFR-UHFFFAOYSA-N 369.878 1.895 0 50 FDAA CC(C)[C@@H](C(=O)N1CC[C@@](C)(C(=O)O)C1)N1C(=O)c2ccccc2C1=O 262213099 LEKGCZZKQRECRR-IFXJQAMLSA-N 358.394 1.630 0 50 FDAA CCO[C@H]1C[C@](NC(=O)c2cn(-c3ccccc3)nn2)(C(=O)O)C1(C)C 262859595 YVMMERFZNLGGIC-KSSFIOAISA-N 358.398 1.656 0 50 FDAA NC(=O)c1cccnc1N1CCN(Cc2nc3c(s2)CCCC3)CC1 216470635 BKQCSKYTNBWPOP-UHFFFAOYSA-N 357.483 1.838 0 50 FDAA CCC(CC)N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2nc(C)c[nH]2)[C@@H]3C1=O 77407702 SVRZVVPZJGRWJM-MCNSXXNHSA-N 372.469 1.647 0 50 FDAA COc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 72441335 AGQITUGTJZIYMR-ZIAGYGMSSA-N 369.487 1.391 0 50 FDAA Cc1ccc(N2C[C@@H](NC(=O)CN(C)Cc3cccnc3)CC2=O)cc1 218967146 IWXISXCWKKDFLE-KRWDZBQOSA-N 352.438 1.744 0 50 FDAA C[C@@H](O)[C@H]1CN(C(=O)c2cnnn2-c2c(Cl)cccc2Cl)CCO1 334026021 HIYRBGGEAACGHW-NOZJJQNGSA-N 371.224 1.796 0 50 FDAA CCS(=O)(=O)c1cccc(CC(=O)N[C@@H]2CCC(=O)NC23CCC3)c1 282830920 OCNWDCAWTDQOIF-OAHLLOKOSA-N 364.467 1.340 0 50 FDAA CN1CCC(CCNC(=O)CN(c2ccccc2)S(C)(=O)=O)CC1 71375741 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SJERIXOLIIAJGN-AWEZNQCLSA-N 356.426 1.782 0 50 FDAA COC[C@H](NC(=O)c1ccc(N2CCN(C)CC2)cc1)c1ccccn1 223639345 HGGQVZRPIOMMQV-IBGZPJMESA-N 354.454 1.951 0 50 FDAA Cc1cc2[nH]c(CN3CCC[C@@H](C(=O)c4ccccn4)C3)cc(=O)n2n1 334159597 JDCOYDOFZKKTJV-CQSZACIVSA-N 351.410 1.821 0 50 FDAA CN1C[C@]2(CCN(C(=O)c3cc4ccc(Cl)cc4n3C)C2)OCC1=O 426465383 ZOWHSIIWIBRLNT-SFHVURJKSA-N 361.829 1.905 0 50 FDAA CC(C)(C)N1C[C@@H](C(=O)N2CCCN(Cc3cccnc3)CC2)CC1=O 91645504 HBCGMZLGWFQGQW-KRWDZBQOSA-N 358.486 1.763 0 50 FDAA Cc1ccc(N2CCCC2=O)cc1NC(=O)NCCS(=O)(=O)N(C)C 426388185 ROCGSYVOPCKKBF-UHFFFAOYSA-N 368.459 1.135 0 50 FDAA COCCN(C)C[C@H]1C[C@@H](CO)CN(C(=O)c2ccc(F)cc2C)C1 91624636 AIVVITRTGRCUNM-HZPDHXFCSA-N 352.450 1.783 0 50 FDAA CN(C)[C@@H](C(=O)N1CCC(N2CCC(O)CC2)CC1)c1ccccc1F 95371266 ZJDVYOCTSXFLQP-LJQANCHMSA-N 363.477 1.876 0 50 FDAA CS(=O)(=O)c1ccc(NC(=O)NCCN2CCCC[C@H]2CO)cc1 96148800 AOXHNBKVBNIWNS-AWEZNQCLSA-N 355.460 1.058 0 50 FDAA N[C@H]1CN(C(=O)c2coc(CN3CCOCC3)c2)C[C@@H]1c1ccccc1 92028420 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359.470 1.607 0 50 FDAA CCOc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4C[C@H]2C[C@@H]43)cc1 239174151 PJOLYMNTLWHFHR-GSANIGMUSA-N 359.378 1.765 0 50 FDAA COCCCN1CC2(CCN(C(=O)CCCn3ccnc3)CC2)CC1=O 95388137 DNGBRXQFEVQCNZ-UHFFFAOYSA-N 362.474 1.541 0 50 FDAA Cc1ccc([C@@H](C(=O)N2CCC(C(=O)N3CCOCC3)CC2)N(C)C)cc1 95358065 OSXDTXXSQCOJDC-IBGZPJMESA-N 373.497 1.695 0 50 FDAA CN(C)C(=O)N1CCC[C@H](C(=O)NCc2ccc3c(c2)OCCCO3)C1 95388860 LLLGUPNABWGNSM-HNNXBMFYSA-N 361.442 1.858 0 50 FDAA CC1(C)O[C@@H]2O[C@H](C(=O)Nc3ccccc3O)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 245232222 QYHDAPSRVVKNBC-SSZWKKLZSA-N 365.382 1.727 0 50 FDAA CC[C@H](CN)C[C@H](C)CNC[C@H](O)CNC[C@H](CC)C[C@@H](CC)CN 253387888 IVISPTZPBRWANF-OMZCGLGVSA-N 358.615 1.939 0 50 FDAA COc1ccc(C2(C(=O)N[C@H](CO)CCSC)CCOCC2)cc1 253412870 SIKDLFDXIXKKRL-HNNXBMFYSA-N 353.484 1.974 0 50 FDAA biogenic Cc1cc(C)n(-c2ccc(NC(=O)N3CCO[C@@]4(CCOC4)C3)cn2)n1 184578292 UEKRWTILMWCNNA-SFHVURJKSA-N 357.414 1.907 0 50 FDAA CC(=O)c1c(-c2cccc(C(=O)N3CCN(CCO)CC3)c2)cnn1C 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O=C(CCN1CCCCO1)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 209974642 DPOVURYYVADUTC-CVEARBPZSA-N 362.426 1.510 0 50 FDAA Cc1cc2c(cc1C(=O)Nc1csc3nc(=O)c(C)nn13)OCCO2 1529172020 DDVGAAYNEBWGHX-UHFFFAOYSA-N 358.379 1.791 0 50 FDAA O=C(NCCN1CC[C@@H](c2ccccc2)C1)c1cc(N2CCOCC2)no1 1772814066 HZWSHGVAYHKHDI-QGZVFWFLSA-N 370.453 1.731 0 50 FDAA COc1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2CCCN2C(=O)[C@H]1C 1772701348 KIKNTFBHNDMDCN-ZYHUDNBSSA-N 358.847 1.732 0 50 FDAA O=C(C[C@@H]1Cn2ncc(-c3ccccc3)c2NC1=O)NC[C@@H]1CCCO1 16624607 FESJVJGUOAPPLR-CABCVRRESA-N 354.410 1.804 0 50 FDAA Cc1cc(Br)ccc1OCC(=O)NCCN1CCOCC1 19920488 QPVDXURHAJHGPO-UHFFFAOYSA-N 357.248 1.585 0 50 FDAA COC(=O)C1=CN(CC(=O)Nc2ccc(C)cc2C)S(=O)(=O)N=C1C 169776881 JZBUJQVRYQQHCB-UHFFFAOYSA-N 365.411 1.320 0 50 FDAA CCc1nnc(N2C[C@@H](C(=O)NCc3ccc4nc[nH]c4c3)CC2=O)s1 1857736343 POIZOHMYIWWPSS-NSHDSACASA-N 370.438 1.646 0 50 FDAA COc1cc(SC)c(OC)cc1CN1C[C@H]2COC[C@@H](C1)C(=O)N2C 1875247143 XULJICXGNARTOT-KGLIPLIRSA-N 366.483 1.715 0 50 FDAA COc1cc(Cl)ccc1S(=O)(=O)NCC1(C(=O)O)CCOCC1 321926324 JYXPJEUSIUNDLG-UHFFFAOYSA-N 363.819 1.508 0 50 FDAA CS(=O)(=O)N1CCO[C@@H](c2nnc(C[C@@H]3CCc4ccccc43)o2)C1 328654489 XMZWMQBDDJZLBN-DZGCQCFKSA-N 363.439 1.675 0 50 FDAA Cc1ccc(C)c([C@H]2CCCN2C(=O)Cn2ncn3nccc3c2=O)c1 122444525 DOHRQNJQTKPMIB-MRXNPFEDSA-N 351.410 1.872 0 50 FDAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Cn1sc3ccccc3c1=O)C2 248036423 ZHWRQQWBPXYNSJ-KGLIPLIRSA-N 373.478 1.922 0 50 FDAA CNC(=O)COc1ccccc1CN1CCC[C@H](c2ccnc(N)n2)C1 952845770 QUOATNXKSBIGFC-AWEZNQCLSA-N 355.442 1.563 0 50 FDAA Cc1ncnc(C)c1C(=O)NCC1=CCN(C(=O)CCc2cc[nH]n2)CC1 1875350494 PJMVAXTYUCGKEQ-UHFFFAOYSA-N 368.441 1.338 0 50 FDAA CCn1nc2c(c1C(=O)NCc1nnnn1CC1CC1)C[C@H](C)O[C@@H]2C 1875313988 BJSTZNFJQQVVFS-WDEREUQCSA-N 359.434 1.252 0 50 FDAA CCc1nc([C@@H]2CN(C(=O)C3(C(F)F)CCC3)Cc3c[nH]nc32)n[nH]1 1875393123 GTYUXGWEOBCRTP-SNVBAGLBSA-N 350.373 2.000 0 50 FDAA O=C([C@@H]1CCc2ccccc21)N1C[C@@H](n2cc(-c3cn[nH]c3)nn2)CO1 1875339314 ZXKPICFOBHKUJL-GDBMZVCRSA-N 350.382 1.713 0 50 FDAA CO[C@H]1c2ccccc2C[C@H]1NC(=O)N1CCC(N(C)C[C@@H](C)O)CC1 895347387 GYJRZOSNCCOGSL-ZMYBRWDISA-N 361.486 1.785 0 50 FDAA CN1C(=O)CCc2ccc(C(=O)N(CC(=O)O)Cc3ccncc3)cc21 2325812751 DWWXPQGBZRMYJR-UHFFFAOYSA-N 353.378 1.718 0 50 FDAA Cc1cccc(C(=O)N[C@H]2CCCCN(C(=O)[C@H]3CCC(=O)NC3)C2)c1 2325863986 CBAWXUSNJPZWAJ-IRXDYDNUSA-N 357.454 1.632 0 50 FDAA O=C(O)[C@@H]1CCC[C@@H](CS(=O)(=O)NC[C@@H]2CCOc3ccccc32)O1 2325875339 OGWZQQVZFBSTDA-XEZPLFJOSA-N 369.439 1.494 0 50 FDAA C=CC(=O)Nc1ccc(C(=O)N2CCC[C@]3(C2)NC(=O)C(C)(C)O3)cc1 2325888016 NGHDLPVHVAEHIY-IBGZPJMESA-N 357.410 1.668 0 50 FDAA O=C1C[C@H](NCc2ccc3c(c2)OCO3)C(=O)N1c1ccc2c(c1)OCO2 100936686 HLWIOUDNWQLNRK-ZDUSSCGKSA-N 368.345 1.566 0 50 FDAA CCOc1ncccc1NC(=O)N1CCN(c2cc(OC)ncn2)CC1 461416735 NMXIOEPTCQJBEK-UHFFFAOYSA-N 358.402 1.633 0 50 FDAA c1cncc(CN2CCN(c3nc4nonc4nc3N3CCCC3)CC2)c1 55133046 XCFIDDLCVFUOMA-UHFFFAOYSA-N 366.429 1.330 0 50 FDAA Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@@H](C(=O)O)C1 136108568 JTYJZWQVNSVVKR-UKRRQHHQSA-N 361.377 1.228 0 50 FDAA CC(C)CN1CCN(Cc2ccc(CN(C)S(C)(=O)=O)o2)[C@@H](C)C1=O 77288072 KLLNAHBFFQXOOI-AWEZNQCLSA-N 371.503 1.360 0 50 FDAA CCOC(=O)Cn1nc(C)c2c(C(=O)OC)cc(-c3cn(C)nc3C)nc21 12396810 ITIMCNPSBKXURL-UHFFFAOYSA-N 371.397 1.798 0 50 FDAA Cn1ccnc(N2CCC[C@H](NCc3ccc([S@](C)=O)cc3)C2)c1=O 328643557 RKJUBEWLHSRXKB-MQNRADLISA-N 360.483 1.276 0 50 FDAA O=C(N[C@@H]1CCN(C(=O)CCc2ccccc2F)C[C@H]1O)c1ccncc1 77355587 XGILIMPOMCTXHU-QZTJIDSGSA-N 371.412 1.545 0 50 FDAA CN(C)Cc1nnc([C@@H]2CCCN(Cc3ccc(N(C)C)nc3)C2)n1C 72409042 LBZHWUGYHIRUHC-MRXNPFEDSA-N 357.506 1.717 0 50 FDAA CSc1nc(C(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)cs1 215542635 IYMBHPCALMJQLM-UHFFFAOYSA-N 354.457 1.364 0 50 FDAA CC1(C)NC(=O)N(CC(=O)N2CCOc3ccc(Cl)cc3C2)C1=O 216421842 ORMPSZKWZRMKQM-UHFFFAOYSA-N 351.790 1.391 0 50 FDAA Cn1c(=O)c2ccccc2n(CC(=O)NC23CC4CC(CC(C4)C2)C3)c1=O 30947921 CXTLTBXQQRPCSP-UHFFFAOYSA-N 367.449 1.785 0 50 FDAA COc1nc2c(cc1CN[C@H]1CCOC1)C(=O)N(CCc1ccccn1)C2 71752397 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CN(C)C[C@H]1CCc2ccccc2N1C(=O)[C@H]1CCc2nnn(C)c2C1 333353585 FXPOMCWCKUIVGQ-JKSUJKDBSA-N 353.470 1.830 0 50 FDAA C[C@@H](NC(=O)N1C[C@@H]2OCCN(C)[C@@H]2C1)C(=O)N1c2ccccc2C[C@H]1C 334130867 UEUSGGJCYHFKIT-DTDBQYNISA-N 372.469 1.077 0 50 FDAA O=C(N[C@H]1CCS(=O)(=O)C1)c1ccnc(-c2ccc(Cl)cc2)n1 289138532 UCXTZUJBALOTSC-LBPRGKRZSA-N 351.815 1.714 0 50 FDAA NS(=O)(=O)C[C@H]1CCN(C(=O)c2csc(-c3ccccc3)n2)C1 426431197 XNMMNRGBZMXWKH-NSHDSACASA-N 351.453 1.561 0 50 FDAA COc1cc(Cl)cc2cc(C(=O)N3CC[C@]4(CC(=O)NC4=O)C3)oc12 82147703 BRGWTAWIOKFXBZ-KRWDZBQOSA-N 362.769 1.974 0 50 FDAA O=C(N[C@H]1C[C@H](c2cc(=O)[nH]cn2)C1)C1(N2CCOCC2)CCCCC1 222357704 XRRKEOWPOHGDGC-GASCZTMLSA-N 360.458 1.167 0 50 FDAA Cc1nc2nc(C)c3c(=O)n(-c4n[nH]c(C(F)(F)F)n4)ccc3n2n1 80333728 OLTXSKYXCMKWRA-UHFFFAOYSA-N 350.264 1.182 0 50 FDAA Cc1cccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)c1 95352397 GTJXIJXISHFTDS-UXHICEINSA-N 359.514 1.846 0 50 FDAA COc1ccc2c(c1)CCN(c1cc([C@H]3CCOC3)nc(NCCO)n1)C2 426387252 JOIXDYZGBHVHED-INIZCTEOSA-N 370.453 1.956 0 50 FDAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2ccnc(NC)c2)CN1Cc1ccoc1 91655805 SNJYNCCTXVVPSL-CVEARBPZSA-N 371.441 1.225 0 50 FDAA Cc1c(CNC(=O)N2CCC(C(=O)NCc3ccccn3)CC2)cnn1C 426493027 APCPJOBJYXWNAG-UHFFFAOYSA-N 370.457 1.362 0 50 FDAA CN1CC2(CCN(C(=O)c3ccc4c(c3)N(C)C(=O)CO4)CC2)OC1=O 426685480 YDOJVMVGQUFMKZ-UHFFFAOYSA-N 359.382 1.099 0 50 FDAA Cc1ccc2c(c1)SCC(=O)N2CC(=O)N(C)CCc1cnn(C)c1 95509920 MKTVKAYWCZZNNR-UHFFFAOYSA-N 358.467 1.868 0 50 FDAA O=C1N(CCO)CCC[C@]12CCN(Cc1nnc(-c3ccccc3)o1)C2 92065953 WVUPYQZCDWLDHQ-LJQANCHMSA-N 356.426 1.543 0 50 FDAA Cc1nc(CC(=O)N2CCC3(CC2)[C@@H](OCCN(C)C)C[C@H]3O)cs1 91254421 AGNYLRKKVOYCQI-CVEARBPZSA-N 367.515 1.314 0 50 FDAA CCN(C)Cc1ccc(OC)c(OC[C@H](O)CN2CCN(C)CC2)c1 22853514 NTXZCIQKPUWLTE-QGZVFWFLSA-N 351.491 1.134 0 50 FDAA Cc1nnc(SCc2nc([C@H](O)c3ccccc3)nn2CCO)s1 96150246 CPPCZPAHRDHPKP-CYBMUJFWSA-N 363.468 1.804 0 50 FDAA CN(C)C(=O)NCC(=O)N1CCC[C@@](C)(Cc2ccc3c(c2)OCO3)C1 91695758 YQSWWBXARYOQJI-IBGZPJMESA-N 361.442 1.858 0 50 FDAA 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CC(C)[C@@H](C(=O)NCCS(=O)(=O)N1CCSCC1)n1cccc1 888090460 AMRBRWKVTWZFQP-AWEZNQCLSA-N 359.517 1.180 0 50 FDAA COCC(=O)Nc1ccc(NC(=O)[C@@H](C)Cn2cncn2)cc1Cl 952871914 GMQFDTNZQYWXDZ-JTQLQIEISA-N 351.794 1.791 0 50 FDAA Cc1cc(C(=O)NCC2CCN(C(=O)Cc3ccccn3)CC2)nn1C 952975674 SSUPTQFTJOIDBY-UHFFFAOYSA-N 355.442 1.335 0 50 FDAA O=S(=O)(c1ccc(Cl)s1)N1CC[C@@H]2NCCC[C@@]2(CO)C1 1565514502 DFPBYCYOIIASRE-GWCFXTLKSA-N 350.893 1.527 0 50 FDAA CCc1noc(C)c1C(=O)N[C@H]1CCN(Cc2csc(C)n2)C[C@@H]1O 1565508770 DLGLFLPXYJVTAE-GJZGRUSLSA-N 364.471 1.676 0 50 FDAA COC[C@@H]1[C@H](NC(=O)c2nn3cc(C)cnc3c2Cl)[C@H]2CCO[C@@H]12 1565510249 HGPMSGZEOWGKML-BGOOENEXSA-N 350.806 1.471 0 50 FDAA Cn1ccnc(N2CCC[C@H](NC(=O)c3coc4ccccc34)C2)c1=O 275487164 BIXBIOKTMHILAH-ZDUSSCGKSA-N 352.394 1.925 0 50 FDAA O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@H](O)C1CCCCC1 188849599 OYIONVDWHDUSQC-RBUKOAKNSA-N 374.481 1.514 0 50 FDAA Cc1nc2ccccc2n1CC(=O)N1CCN2[C@H](COC[C@H]2C2CC2)C1 1615964886 XNOMRJQJGBPUTM-LPHOPBHVSA-N 354.454 1.666 0 50 FDAA CN(Cc1nccs1)C(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1529100163 OJRARFJEPXIARC-SJORKVTESA-N 372.450 1.628 0 50 FDAA CCc1cc(N[C@H]2CCCN(C(=O)C3CC3)C2)nc(N2CCOCC2)n1 1704299688 QDIICELCWIDBTL-INIZCTEOSA-N 359.474 1.689 0 50 FDAA Cn1nccc1-n1nc([C@H]2CCOC2)nc1-c1c2c(nn1C)CCCC2 1772808194 IIJNXNGLOUXVRT-LBPRGKRZSA-N 353.430 1.784 0 50 FDAA Cc1nonc1CC(=O)N1CCC(CCC(=O)NC[C@@H]2CCCO2)CC1 12470222 GJZHCJRFZGJKNV-HNNXBMFYSA-N 364.446 1.235 0 50 FDAA O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc2c(c1)OCCO2 13148363 ZJUKMJZCXCTAJZ-ZIAGYGMSSA-N 356.378 1.738 0 50 FDAA O=C(NCCCN1CCOCC1)C(=O)Nc1cccc(Cl)c1Cl 19831205 UHNBEIMUFINLGG-UHFFFAOYSA-N 360.241 1.770 0 50 FDAA O=C(CCc1ccc2c(c1)OCO2)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857708247 XRAKEADZXCBLKO-APWZRJJASA-N 358.394 1.298 0 50 FDAA COc1nccnc1N1C[C@@H]2[C@H](CNC(=O)C3(C)CC3)[C@H]3CC[C@]2(C1)O3 1857717245 ZNULOBQJOCPIRA-FGBSKUFISA-N 358.442 1.385 0 50 FDAA CCNC(=O)N1CCN(C(=O)c2sc(-c3cnn(C)c3)nc2C)CC1 115323084 PIMIVXDPVNTVRI-UHFFFAOYSA-N 362.459 1.339 0 50 FDAA C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)c2cnc3[nH]c(O)nc3c2)C1 333969029 UHHMLBUOINMIHT-SECBINFHSA-N 357.336 1.620 0 50 FDAA COCCn1cc(NC(=O)[C@H](c2ccccc2)N2CCC(O)CC2)cn1 264189064 BKQGSGNMLVWTNH-SFHVURJKSA-N 358.442 1.666 0 50 FDAA Cc1ccc(S(=O)(=O)N2CC[C@@H](O)[C@@](CC3CC3)(C(=O)O)C2)cc1 1704298241 IHKYAKWWRMUQCJ-WBVHZDCISA-N 353.440 1.621 0 50 FDAA CCc1cc(C(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)cn(C)c1=O 1875261441 ULJUVYNKIDYGMF-UHFFFAOYSA-N 353.422 1.851 0 50 FDAA C[C@]1(NC(=O)c2ccc3n[nH]cc3c2)CCCN(C(=O)Cc2cn[nH]c2)C1 1875358011 GAJQHEXBGUDCNQ-IBGZPJMESA-N 366.425 1.640 0 50 FDAA C=CC(=O)N1CCC(C(=O)N2CCCC[C@H]2COC(=O)N(C)CC)CC1 1875365042 CXNIMNCICFXLAN-INIZCTEOSA-N 365.474 1.880 0 50 FDAA O=C(Cn1cccn1)NC[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2F)CCC1(F)F 1875404976 IBGDXFSYUPQAEA-AVGNSLFASA-N 358.364 1.231 0 50 FDAA Cn1c(O)nnc1[C@@H]1[C@H](C2CC2)CCN1C(=O)Cn1cnc2c1CCCC2 1875401140 GPEPJPDGNSSFAH-GUYCJALGSA-N 370.457 1.596 0 50 FDAA C[C@]1(CNC(=O)[C@@H]2CC23CC3)CC(F)(F)CN1C(=O)c1csnn1 1875406382 CFNQAGBBQOHWPE-TVQRCGJNSA-N 356.398 1.694 0 50 FDAA CC(=O)NCc1cc(O[C@H]2CCN([C@H](C)C(=O)NC3CCCC3)C2)ccn1 886072168 YYTZYISOBNQRTQ-KUHUBIRLSA-N 374.485 1.618 0 50 FDAA Cc1cnn([C@@H]2[C@@H](NC(=O)c3cccnc3N3CCCCC3)C[C@H]2O)c1 888077184 RCWBIIGQGBQFAC-GVDBMIGSSA-N 355.442 1.681 0 50 FDAA CCS(=O)(=O)c1cccc(CNC(=O)N2C[C@@H](C)[C@](C)(CO)C2)c1 888101727 QPGZJHQSSYJMAK-DYVFJYSZSA-N 354.472 1.640 0 50 FDAA Cc1ccc(C)c(-c2n[nH]cc2CN2CCO[C@@H](c3nnn(C)n3)C2)c1 2100541106 VZJYHFHASVCRCF-MRXNPFEDSA-N 353.430 1.791 0 50 FDAA C[C@H](Cc1ccccc1O)NC(=O)C(=O)N[C@H]1CCN(c2ccccn2)C1 2325771883 YCRPYFXDEKILRY-ZBFHGGJFSA-N 368.437 1.230 0 50 FDAA CN(C[C@H]1CNCCO1)C(=O)C(=O)N1CCC[C@@H]1c1ccc(F)cc1F 2325787724 SHKDDSSTKQAKNN-CZUORRHYSA-N 367.396 1.075 0 50 FDAA CCn1cc(S(=O)(=O)NC(=O)c2nc(C(F)(F)F)sc2C)nn1 2325822331 QVDUIZCYWPJKOQ-UHFFFAOYSA-N 369.350 1.200 0 50 FDAA NC(=O)C1CCN([C@H]2CC(=O)N(c3cccc4ccccc34)C2=O)CC1 798370 OKNOZPSTYGHIIC-KRWDZBQOSA-N 351.406 1.669 0 50 FDAA C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCO2 1077903 UWCSLVCMVIAVJX-JTQLQIEISA-N 366.370 1.860 0 50 FDAA CC(C)CC[C@@]1(C(=O)O)CN(C(=O)CCCn2cccn2)CC[C@H]1O 2356147300 QBLIFLFGZBVJMK-CRAIPNDOSA-N 351.447 1.764 0 50 FDAA O=C(CN1CCN(CC2CC2)[C@@H](CCO)C1)NC1CCCCCCC1 106255669 VHCLOKRBQKGENE-IBGZPJMESA-N 351.535 1.994 0 50 FDAA Cn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(N)=O 8784044 XBECRWDQBRDEIW-UHFFFAOYSA-N 374.253 1.629 0 50 FDAA Cc1nc(CN2CCC(CNC(=O)NCCn3ccnc3)CC2)oc1C 111789072 DEQVLVFBLFYILT-UHFFFAOYSA-N 360.462 1.699 0 50 FDAA Cc1nc([C@H]2CCCN(C(=O)c3cc(-c4cccn4C)n[nH]3)C2)cc(=O)[nH]1 23379839 QYTGASNACTXJDD-ZDUSSCGKSA-N 366.425 1.827 0 50 FDAA O=C1CCCN1CCCC(=O)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 65371582 YGTLWQJBLPPUFH-JKSUJKDBSA-N 374.437 1.495 0 50 FDAA COCCCn1c(CN(C)[C@@H](C)c2ccccn2)cnc1S(C)(=O)=O 64110818 DVSLFNGETSQOPS-AWEZNQCLSA-N 366.487 1.911 0 50 FDAA CCCS(=O)(=O)N1CCOC[C@@H]1CC(=O)N(C)Cc1ccc(C)s1 72473781 SDVMZBLRAKNMDD-AWEZNQCLSA-N 374.528 1.846 0 50 FDAA CCN(C)c1cc(N2CCN(Cc3ccc(C(=O)O)cc3)CC2)ncn1 67649056 UNIOXLFSILPZMQ-UHFFFAOYSA-N 355.442 1.953 0 50 FDAA CCc1nc(NC(=O)c2cccc(CN3CC(n4cccn4)C3)c2)nn1C 65376602 RNNQQFKXPDHNDI-UHFFFAOYSA-N 365.441 1.883 0 50 FDAA NC(=O)c1ccc(NC(=O)CCCn2cnc3ccccc3c2=O)cc1 21222495 PMSLCLZAWWFIIK-UHFFFAOYSA-N 350.378 1.914 0 50 FDAA CCCCN(C)C(=O)c1nc2ccccn2c1CN[C@H](C)Cn1cncn1 12445371 PQEIVPONLNZITJ-OAHLLOKOSA-N 369.473 1.976 0 50 FDAA CCSCCC(=O)N1CCn2nc(CN(C)Cc3cnccn3)cc2C1 72478839 ZMADCHIQKLQMTJ-UHFFFAOYSA-N 374.514 1.791 0 50 FDAA Cc1ncc(CO)c(CN2CCc3[nH]cnc3[C@@H]2c2cccnc2)c1O 67975843 DLCIPNLTHNOMIP-SFHVURJKSA-N 351.410 1.854 0 50 FDAA CCCn1ncc(NC(=O)c2ccc(CN3CCC[C@@H]3C(N)=O)cc2)n1 65393505 NAZRPIWTEMMOPN-OAHLLOKOSA-N 356.430 1.390 0 50 FDAA Cc1c(CCO)c(=O)[nH]n1S(=O)(=O)c1ccc(Cl)cc1Cl 1395006 KRFSQHFXQFQNKD-UHFFFAOYSA-N 351.211 1.563 0 50 FDAA COc1cccc(CNC(=O)[C@H](CO)NC(=O)c2ccccc2)c1OC 253419476 VVEULJCBJVYGSD-HNNXBMFYSA-N 358.394 1.111 0 50 FDAA Cc1c(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N2CCCC2)sc2nc[nH]c(=O)c12 219953028 SDRHUUAHFFRQRC-YXCITZCRSA-N 374.466 1.275 0 50 FDAA Nc1nc2c(c(C(=O)NCCc3cc(N4CCCC4)ncn3)n1)CCCC2 72448321 OQULMFOHKQZNDI-UHFFFAOYSA-N 367.457 1.300 0 50 FDAA Cc1cccc(C(=O)N2CCC[C@@H](c3nnc(CN(C)C)n3C)C2)c1O 72423791 WSVDIJHSRCADGL-CQSZACIVSA-N 357.458 1.911 0 50 FDAA CCCSc1ncc(CN2CCN(CC)[C@@H]3CS(=O)(=O)C[C@@H]32)cn1 77354366 YATXLVRZIFKYDJ-CABCVRRESA-N 370.544 1.282 0 50 FDAA Cc1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 38522428 UDQAMNLQUXLNEA-UHFFFAOYSA-N 367.453 1.584 0 50 FDAA Cc1c([C@H]2[C@H](CNCc3cc(C(=N)O)cs3)CC(=O)N2C)cnn1C 328630887 QJSFTBHXBMOPAK-MEDUHNTESA-N 361.471 1.983 0 50 FDAA Cc1ccccc1OC1(C(=O)O)CCN(C(=O)c2c[nH]c(=O)cn2)CC1 72428644 UQZBAQVRUUBSNP-UHFFFAOYSA-N 357.366 1.217 0 50 FDAA C[C@H](COc1ccccc1)NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 72140664 WADIBZUEUUZVIA-CQSZACIVSA-N 369.487 1.089 0 50 FDAA Cc1cccc2nc(CCC(=O)N3CCOC[C@H]3c3ncnn3C)[nH]c12 367637286 WEGWWHXALBFXSD-AWEZNQCLSA-N 354.414 1.533 0 50 FDAA O=C1NCCN(C(=O)Cc2c[nH]c3ncccc23)[C@H]1c1ccccc1F 369914940 ZJMRCIHIUGGSQJ-KRWDZBQOSA-N 352.369 1.944 0 50 FDAA O=C(O)CC[C@@]1(CCC(=O)NCc2ccc3nonc3c2)CCC(=O)N1 218105986 LLYYCFLNBVXWCA-QGZVFWFLSA-N 360.370 1.133 0 50 FDAA Cc1ccc(CN(C)C(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)s1 332814017 RSZZIIZMLONEBZ-BBRMVZONSA-N 372.512 1.934 0 50 FDAA Cc1nnc([C@H]2COCCN2S(=O)(=O)c2cc(F)c(C)cc2F)o1 333556465 QXPKDKCMIVBGKR-GFCCVEGCSA-N 359.354 1.727 0 50 FDAA O=C(NC[C@]1(O)CCS(=O)(=O)C1)c1csc(C2CCCCC2)n1 333992191 KRWVUMGDQKBSPW-OAHLLOKOSA-N 358.485 1.470 0 50 FDAA COC[C@@H](Nc1nc(-c2ccncc2)nc2c1cnn2C)c1ccnn1C 72432659 VIKDIDBIMXCHFG-CQSZACIVSA-N 364.413 1.958 0 50 FDAA C[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)Nc1ccn(CCC(N)=O)n1 284544155 HYIRZNBMVWHFJZ-GDBMZVCRSA-N 355.442 1.465 0 50 FDAA O=C(COc1ncnc2ccccc12)N1CCCC[C@@H]1CN1CCOCC1 221406011 ATPGUURILXGETK-MRXNPFEDSA-N 370.453 1.722 0 50 FDAA COC(=O)N1CCCC[C@@H]1C(=O)N1CCN(C2Cc3ccccc3C2)CC1 223377010 DCLNOORXLPYDMI-LJQANCHMSA-N 371.481 1.919 0 50 FDAA COc1cccc(-n2cc(CNC(=O)N3CCN4C(=O)OC[C@H]4C3)cn2)c1 426658550 XMXUJRGBJQCHEJ-OAHLLOKOSA-N 371.397 1.227 0 50 FDAA Cc1ccccc1OC[C@H](O)C(=O)NC1CCN(Cc2ccncc2)CC1 221387388 WZFXYGWNHMRWOB-IBGZPJMESA-N 369.465 1.911 0 50 FDAA O=S(=O)(NCc1cc2n(n1)CCNC2)c1ccc(-c2ccon2)s1 82106912 AHBMSFMCJGTIBW-UHFFFAOYSA-N 365.440 1.181 0 50 FDAA Cn1cc(S(=O)(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cn1 20044955 SFLXOMZXRQDVRB-UHFFFAOYSA-N 354.863 1.580 0 50 FDAA O=C(NCCCN1CCN(CCCNC(=O)C2CCC2)CC1)C1CCC1 19367255 SNAQLMCHNLQJPU-UHFFFAOYSA-N 364.534 1.217 0 50 FDAA O=C(NCc1nc(-c2ccncc2)n[nH]1)[C@@H]1CCC(=O)N(C2CCCC2)C1 92046296 JEEMENFNIKWBKM-CQSZACIVSA-N 368.441 1.664 0 50 FDAA CC(C)CCc1n[nH]c2c1CN(C(=O)C[C@@H]1CCS(=O)(=O)C1)CC2 23250568 YTEUBLCAIJDILU-ZDUSSCGKSA-N 353.488 1.708 0 50 FDAA CCCNC(=O)c1ccc(S(=O)(=O)N(C)Cc2snnc2C)cc1 91519329 IOLYZACSIWMVTG-UHFFFAOYSA-N 368.484 1.807 0 50 FDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(c1nccc(NC)n1)CC2 95529124 WXAPPVYWHDLIBP-UHFFFAOYSA-N 355.446 1.532 0 50 FDAA 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355.438 1.735 0 50 FDAA O=C1C[C@@H](CNS(=O)(=O)c2c(F)c(F)cc(F)c2F)CN1C1CC1 193824641 PAMXVYCIJFGDGE-ZETCQYMHSA-N 366.336 1.532 0 50 FDAA Cc1ccc(C(=O)O)cc1S(=O)(=O)N1CCNC(=O)C12CCCC2 1506405445 MJEPFTCTTASVEY-UHFFFAOYSA-N 352.412 1.127 0 50 FDAA O=C(CCCn1cncn1)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1529099935 IRZHNCLRICSECK-APWZRJJASA-N 365.437 1.669 0 50 FDAA O=C(c1cccc(-c2cn[nH]c2)c1)N1CCCN(C(=O)[C@@H]2CCCO2)CC1 1529188809 DGMREVLULMKVNE-SFHVURJKSA-N 368.437 1.930 0 50 FDAA Cc1cc2c(cc1CN1CC[C@H]3[C@H](CCC(=O)N3CCCN)C1)OCO2 216762416 OTOWRDYEYDDHOS-WBVHZDCISA-N 359.470 1.885 0 50 FDAA CCC(=O)N1C[C@@H]2CN(C(=O)c3onc4ncccc34)C[C@@]2(CN(C)C)C1 1772704055 RNDOAWMXIWHTAD-BFUOFWGJSA-N 371.441 1.095 0 50 FDAA O=C(Cn1cccc1)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 1772708969 GRUIEXHBQKNERA-UHFFFAOYSA-N 355.394 1.592 0 50 FDAA Cc1ccccc1-c1noc(CCCC(=O)N2C[C@H]3CNC[C@@]3(CO)C2)n1 1772708052 CPDLPVCRFJIJCA-QRWLVFNGSA-N 370.453 1.408 0 50 FDAA O=C(N[C@@H]1CC(=O)N(CCc2cccc(Cl)c2)C1)c1csnn1 12373373 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361.373 1.532 0 50 FDAA Cc1cccc(C(=O)N2CC(Nc3ncnc4[nH]cc(C(N)=O)c34)C2)c1 1875339348 GFASYRZMYBYSGJ-UHFFFAOYSA-N 350.382 1.302 0 50 FDAA C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cncc(F)c2)Cc2nccn2C1 1875405086 PNWHQXNSVCYICO-BYCMXARLSA-N 357.389 1.214 0 50 FDAA O=C([C@@H]1CCCO[C@H]1c1cn[nH]c1)N1CCN(c2ncccc2F)CC1 886074644 KERMOPJKDUWTBU-ZBFHGGJFSA-N 359.405 1.760 0 50 FDAA Cc1c([C@@H]2[C@@H](C(=O)NCc3cnc(C4CC4)o3)CC(=O)N2C)cnn1C 886078385 XRTNXYYMVKLCAW-BBRMVZONSA-N 357.414 1.430 0 50 FDAA Cc1nc2cc(Cl)ccc2cc1C(=O)N1CC2(CC(=O)NC[C@@H]2O)C1 2325764891 QNLSAWCHGJTUNZ-HNNXBMFYSA-N 359.813 1.520 0 50 FDAA NS(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC(n3ccnc3)C1)C2 2325780580 WRUOTFWCGOABOF-UHFFFAOYSA-N 366.468 1.128 0 50 FDAA COC[C@@H](NC[C@H]1CCC(=O)NC1=O)c1cccc(Br)c1 2325802272 VYULYQRVZRUQIQ-DGCLKSJQSA-N 355.232 1.779 0 50 FDAA CC1=NN(c2ccc(C(=O)N3C[C@H](S(N)(=O)=O)CC3(C)C)cc2)CC1 2325810857 KLHUPLAVDPMKFM-OAHLLOKOSA-N 364.471 1.554 0 50 FDAA Cc1noc(CCC(=O)N2[C@H]3CC[C@@H]2CN(C(=O)[C@H](F)C(C)C)C3)n1 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CN1CC(=O)N([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1=O 348910208 OHZSTKCPOINSIY-LLVKDONJSA-N 357.288 1.585 0 50 FDAA COc1ccc(C(=O)N2CCN(C(=O)COC[C@@H]3CCCO3)CC2)cc1 69257729 XVKXZXNHVVWEGT-KRWDZBQOSA-N 362.426 1.175 0 50 FDAA CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@H](Cn3cc(C(=O)O)nn3)C2)c1C 67920619 XZAQRBVIVBBMME-ZDUSSCGKSA-N 373.413 1.676 0 50 FDAA CCn1ncc(S(=O)(=O)Nc2ncn(Cc3ccccc3F)n2)c1C 2804498 OHQXWUKTRHCQAF-UHFFFAOYSA-N 364.406 1.791 0 50 FDAA Cc1cc(S(=O)(=O)N2CCn3cnnc3C2)sc1Br 124143256 BLHMFECZEFIUNY-UHFFFAOYSA-N 363.262 1.615 0 50 FDAA CCn1c(CN(C)C)nnc1C1CCN(C(=O)c2ccc(CO)o2)CC1 77355708 CQMKRELNJWZVCM-UHFFFAOYSA-N 361.446 1.465 0 50 FDAA C[C@@H](C(=O)N1CC(O)=Nc2ccccc21)N1CCO[C@@H](C(=O)C2CC2)C1 328673580 JDPSJAPAIAOXIW-BLLLJJGKSA-N 357.410 1.690 0 50 FDAA CN(C)S(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 146543077 HDIUPLPBRJWMRM-LSDHHAIUSA-N 371.890 1.394 0 50 FDAA CS(=O)(=O)N1CCO[C@H](c2nnc(C3(Cc4ccccc4)CC3)o2)C1 328633492 MBYZBPTZNLBOOM-AWEZNQCLSA-N 363.439 1.677 0 50 FDAA CS(=O)(=O)C[C@H](O)c1cc2n(n1)CCN(Cc1ccc(F)cc1F)C2 219059100 RAUNVDLKCOFIBK-INIZCTEOSA-N 371.409 1.255 0 50 FDAA CCN(CCO)C(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71762284 ABYDETPMLUIKHD-LJQANCHMSA-N 374.529 1.599 0 50 FDAA Cc1cccc(C)c1CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 125322939 XPEAEOHXGRVDLI-IBGZPJMESA-N 372.513 1.794 0 50 FDAA COc1ccc2c(c1)c(C(=O)N1CCOC[C@@H]1CC(=O)N(C)C)c(C)n2C 72411061 ITOCSVJIZYNFKP-AWEZNQCLSA-N 373.453 1.815 0 50 FDAA Cn1cc(N2CCC[C@@H](NC(=O)CCn3c(=O)oc4ccccc43)C2)cn1 154036354 YVNNOVRWUJJJCF-CQSZACIVSA-N 369.425 1.503 0 50 FDAA CCn1cnnc1[C@H]1CN(C(=O)c2cccc(-n3ccnc3)c2)CCO1 364702953 BDSCDTRYJFANQT-MRXNPFEDSA-N 352.398 1.697 0 50 FDAA Cn1cc(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)C2)cc1C(N)=O 365865822 JAPFCNLAFBZHOX-CQSZACIVSA-N 354.410 1.501 0 50 FDAA O[C@H](CN1CCC(Oc2cnc3ccccc3n2)CC1)Cn1cccn1 365855062 GLLAFWRNIIOWHN-OAHLLOKOSA-N 353.426 1.731 0 50 FDAA O=C(NCc1cc(N2CCOCC2)ncn1)[C@@H]1CCc2ccccc2C1 72447471 OGAIOIYCORIQQY-QGZVFWFLSA-N 352.438 1.735 0 50 FDAA Cc1nc2ncc(C(=O)N(C)Cc3nnc(-c4ccccc4)o3)c(=O)n2[nH]1 216177641 XMXVJMJRQCEBQG-UHFFFAOYSA-N 365.353 1.048 0 50 FDAA O=C1COc2ccccc2N1CCC(=O)N1CCC[C@@H]1Cn1cncn1 370989932 GGUFFQPOXNJECR-CQSZACIVSA-N 355.398 1.085 0 50 FDAA O=C(c1c[nH]c(=O)cn1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 72420433 AVLCXJHFXAKXLN-UHFFFAOYSA-N 367.327 1.913 0 50 FDAA O=C1CC[C@]2(CCCN(C(=O)Cn3ccc4ccccc43)C2)CN1CCO 77459759 HLFVHDGZBMACOR-NRFANRHFSA-N 369.465 1.865 0 50 FDAA CCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)NCc1noc(COC)n1 72469687 BXNKMMAARBRQFU-CQSZACIVSA-N 365.478 1.029 0 50 FDAA Cc1cc(C)n(-c2ccccc2CN2C(=O)NC3(CCNCC3)C2=O)n1 77485792 ADJZEWBVAGRCOA-UHFFFAOYSA-N 353.426 1.663 0 50 FDAA O=C(O)C[C@H]1CN(C(=O)Cc2csc(Cc3ccccc3)n2)CCO1 238053239 LIQBIAIMVWDJMO-HNNXBMFYSA-N 360.435 1.979 0 50 FDAA O=C(COc1ccccc1O)N1CCN(Cc2ccccc2)[C@@H](CCO)C1 72426136 WAOHSJSJHHIQQF-SFHVURJKSA-N 370.449 1.866 0 50 FDAA Cc1nn(-c2ccccn2)c(C)c1CNC[C@H]1CCCN1S(C)(=O)=O 282636277 KSDJFGQHRCKMIH-OAHLLOKOSA-N 363.487 1.398 0 50 FDAA CCN1CC2(CCN(C(=O)c3ccc(-c4nnn(C)n4)cc3)CC2)OC1=O 77353938 VVNZPGNIGYWDSN-UHFFFAOYSA-N 370.413 1.324 0 50 FDAA Cc1ccc(OC2(C(=O)O)CCN(C(=O)CCn3cccn3)CC2)cn1 72432550 XPRZRIRHVHMAGN-UHFFFAOYSA-N 358.398 1.501 0 50 FDAA Cn1nccc1[C@H](O)c1cc2n(n1)CCN(Cc1nc3ccccc3[nH]1)C2 220713120 MZXLIPVNPMUZQD-LJQANCHMSA-N 363.425 1.590 0 50 FDAA Cc1cc2c(=O)n(NC(=O)c3c(Cl)cnn3C)c(S)nc2s1 17073547 WWFJZONRWOXWOD-UHFFFAOYSA-N 355.832 1.826 0 50 FDAA O=C(N[C@@H]1COCC[C@@H]1OCCO)c1csc(Cc2ccccc2)n1 222583387 JCOQFJNWZVIOAF-ZBFHGGJFSA-N 362.451 1.630 0 50 FDAA CN1CCN(C(=O)N[C@@H]2CCCCN(C(=O)COc3ccccc3)C2)CC1 82107865 NEFKDGBPQNNYPN-QGZVFWFLSA-N 374.485 1.404 0 50 FDAA COc1ccccc1-c1nn(C)cc1C(=O)NCc1ccc(C(N)=O)o1 175757874 PZKIQMZTTKSWLE-UHFFFAOYSA-N 354.366 1.718 0 50 FDAA O=C(O)Cn1nccc1[C@H]1CCCN(C(=O)c2cc3c(nc2O)CCC3)C1 426422065 XHVPBQVSBRVTSP-ZDUSSCGKSA-N 370.409 1.577 0 50 FDAA O=C(NCc1nc(-c2ccncc2)n[nH]1)C1(N2CCOCC2)CCCCC1 223373904 VRRSIFSLMOKTLL-UHFFFAOYSA-N 370.457 1.518 0 50 FDAA O=C(CCc1nc(Cl)n[nH]1)N1CCC(C(=O)N2CCCCC2)CC1 82121321 CCSNZHXETBPXSF-UHFFFAOYSA-N 353.854 1.642 0 50 FDAA Cc1ccc(CN2CCN(C(=O)CCc3nc(Cl)n[nH]3)CC2=O)cc1 82108165 UABZUXNRADJNFZ-UHFFFAOYSA-N 361.833 1.570 0 50 FDAA Cc1c(CCNC(=O)N2CCN(CCO)CC2)c2cccc3c2n1CCC3 426479656 GOGWTVHYCLWHTP-UHFFFAOYSA-N 370.497 1.758 0 50 FDAA Cc1nc(SCCNC(=O)N(CCO)Cc2ccc(C)s2)n[nH]1 426604517 OXNFIAOSDFBDAP-UHFFFAOYSA-N 355.489 1.779 0 50 FDAA Cc1nc(O)nc(O)c1-c1ccc(C(=O)N2CCC[C@H](C(N)=O)C2)cc1 426493898 CAPGAQOMSDUFEG-ZDUSSCGKSA-N 356.382 1.201 0 50 FDAA Cc1cccc2nc(CNC(=O)N3CCC[C@@]4(CC3)CNC(=O)O4)cn12 426487672 XMNKENMSLMZQEE-GOSISDBHSA-N 357.414 1.817 0 50 FDAA Cc1ccc(N2CCCC2=O)cc1NC(=O)NC[C@H]1CCS(=O)(=O)C1 96151851 KENPKTGHQTZNDI-CYBMUJFWSA-N 365.455 1.678 0 50 FDAA CN(Cc1cc[nH]n1)S(=O)(=O)c1ccc(C(=O)Nc2cccnc2)cc1 91745825 BYWYVIWQXLUELS-UHFFFAOYSA-N 371.422 1.878 0 50 FDAA CN(C)S(=O)(=O)N1CCN(C[C@H]2CCOc3ccccc3C2)CC1 95513148 BMRNWKRVEUIWSU-HNNXBMFYSA-N 353.488 1.052 0 50 FDAA COc1ccc([C@H](C(=O)O)N2CCN(Cc3nccn3C)CC2)c(OC)c1 95386752 ZPDBAPUFMFKUFH-GOSISDBHSA-N 374.441 1.381 0 50 FDAA CN1CCN([C@H]2CCN(C(=O)c3ccc(O)cc3)C[C@H]2CCCO)CC1 91694056 JTMFKTIBGIJVJX-MJGOQNOKSA-N 361.486 1.243 0 50 FDAA CCN1CC[C@@H](CN(C)S(=O)(=O)c2ccc(C(=O)NC3CC3)cc2)C1 92081470 XAHPYYLEGKBQSP-AWEZNQCLSA-N 365.499 1.541 0 50 FDAA CCn1c(C)nnc1SCCNC(=O)[C@H]1Cc2ccccc2C(=O)N1 97495552 GRMIVXFQVSFMMM-CQSZACIVSA-N 359.455 1.169 0 50 FDAA Cc1cc(C)n(C2CN(C(=O)[C@H](c3cccnc3)N3CCOCC3)C2)n1 95372969 OSBCHGXQECOLQZ-SFHVURJKSA-N 355.442 1.352 0 50 FDAA COc1cccc([C@@H]2CN(C(=O)c3cnn4cccnc34)C[C@H]2C(=O)O)c1 91616550 HZTURHIZZOHFMC-JKSUJKDBSA-N 366.377 1.678 0 50 FDAA CCc1ncc(CN2CCC(c3nnc(Cn4cncn4)n3C)CC2)cn1 91819605 RZUCFMLCUCFQPX-UHFFFAOYSA-N 367.461 1.187 0 50 FDAA C[C@@H](CNC(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C)n1ccnc1 95376559 MWVFGCKVERZYNT-AWEZNQCLSA-N 368.441 1.597 0 50 FDAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccc(Cn3ccnc3)o1)C2 91846914 DSHFALNJJFQXAW-LSDHHAIUSA-N 372.425 1.234 0 50 FDAA Cc1cc(S(=O)(=O)N2CCC[C@@H](c3ccc(C(=O)O)cc3)C2)n(C)n1 95374054 SCSVZROADFWCLV-OAHLLOKOSA-N 363.439 1.995 0 50 FDAA CN1Cc2ccccc2C[C@H]1C(=O)N1CCCN(c2ncccn2)CC1 95387374 ACVFCMDCXCVNHG-SFHVURJKSA-N 351.454 1.572 0 50 FDAA O=C(Cn1ncc2ccccc21)N[C@@H]1CCN(Cc2cccnc2)C[C@H]1O 243902041 BFHIXUCFUVYCJF-IEBWSBKVSA-N 365.437 1.183 0 50 FDAA CN(C(=O)c1sc2ccccc2c1CS(C)(=O)=O)[C@@H]1CCNC1 299739818 ROZMERUFDBHPGI-LLVKDONJSA-N 352.481 1.880 0 50 FDAA CCN(CC)C(=O)CN1C(=O)N[C@H](c2ccc(OC)cc2)C2=C1COC2=O 263618915 WDIUGHZRXFJPSK-QGZVFWFLSA-N 373.409 1.441 0 50 FDAA CCOC(=O)C1=C(CN2CCCC2)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 54979052 QKJTVAICJYSOAM-QGZVFWFLSA-N 373.409 1.682 0 50 FDAA COc1ccc(-n2cccn2)c(CN2CC[C@@H]3OCc4cnnn4[C@H]3C2)c1 299789813 ACURHHRQMSWLEP-OALUTQOASA-N 366.425 1.818 0 50 FDAA COCCCn1cnnc1CNC(=O)c1cnc(N)nc1-c1ccccc1 824396886 ORDZIQOUOSLFQG-UHFFFAOYSA-N 367.413 1.284 0 50 FDAA CN(Cc1n[nH]c2c1CCCC2)C(=O)NCc1nc(-c2ncccn2)no1 584884555 MDOXEPRMMUHXCH-UHFFFAOYSA-N 368.401 1.470 0 50 FDAA CCn1cc(CN(C)C(=O)NCc2nnnn2-c2ccccc2)c(C)n1 584901461 XIFUJXQCFCCLKB-UHFFFAOYSA-N 354.418 1.529 0 50 FDAA CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)Cc2n[nH]c3c2CCCC3)C1 1325853483 ZYBYDQRZKIOVJS-ZDUSSCGKSA-N 370.457 1.919 0 50 FDAA O=C(Cn1ncc2ccccc21)NC[C@H](c1ccccn1)N1CCOCC1 670473346 XEKRHPAGTDSRHF-LJQANCHMSA-N 365.437 1.621 0 50 FDAA COCCCn1cnnc1[C@H](C)NC(=O)c1nnc(O)c2ccccc12 952980942 QXTFWPKZFZSOJL-NSHDSACASA-N 356.386 1.454 0 50 FDAA C[C@@H](Oc1ccccc1)C(=O)NCC1CCN(C(=O)c2cnn[nH]2)CC1 952963476 KILMYFZXNCTPQT-CYBMUJFWSA-N 357.414 1.241 0 50 FDAA CCOc1ccc(C(=O)N2C[C@@H](CO)C[C@@H](CN3CCOCC3)C2)o1 1565528596 RYDSTHXCVDFXBX-GJZGRUSLSA-N 352.431 1.081 0 50 FDAA Cn1ccnc1CN1CC[C@H](N2CCN(c3ccccc3F)CC2)[C@@H](O)C1 1565530349 LPHBWERXPWYIEM-OALUTQOASA-N 373.476 1.317 0 50 FDAA Cc1nc(N2CC[C@H](NC(=O)c3cnccn3)[C@@H](O)C2)c2ccsc2n1 1565530345 FCGFJNJEGQRXHV-JSGCOSHPSA-N 370.438 1.159 0 50 FDAA Cc1cc2[nH]c(CN(C)C[C@@H]3Cc4ccccc4CN3C)cc(=O)n2n1 1529186372 XTVMUOBXDBNWRI-SFHVURJKSA-N 351.454 1.820 0 50 FDAA O=C1CO[C@H](C(=O)N2CCC(c3ccncc3)CC2)[C@@H](c2cccnc2)N1 1529105875 IXRVKROONIKMHW-MOPGFXCFSA-N 366.421 1.439 0 50 FDAA O=S(=O)(NC[C@H]1CCCNC1)c1cc(Br)ccc1F 237733237 DPDJKYMANXKDSA-VIFPVBQESA-N 351.241 1.866 0 50 FDAA CN1CCN(C(=O)c2cnn(Cc3ccccc3)c2)CC12CCOCC2 1775979288 KGUQXJZWNIPURS-UHFFFAOYSA-N 354.454 1.868 0 50 FDAA Cc1cc(CC(=O)N2C[C@@H]3CN(C(=O)C4CCOCC4)CC[C@@H]32)cc(C)n1 1775982895 UOVKEHNMBOEOCO-OALUTQOASA-N 371.481 1.727 0 50 FDAA O=C(c1ccc2ccccc2c1)N1CCN2C(=O)[C@H]3CCCN3C(=O)[C@H]2C1 14531285 PNRLSYAZYFSLNG-QZTJIDSGSA-N 363.417 1.497 0 50 FDAA COc1nc2ccccc2cc1CN1CC[C@@H](N2CCN(C)CC2)[C@H](O)C1 19595412 RZPSZUKBBMTYBB-WOJBJXKFSA-N 370.497 1.426 0 50 FDAA CC[C@@]12COC(=O)N1CCN(CC(=O)NCCc1ccc(OC)cc1)C2 1857686560 BSXGCJFTLMSVEL-LJQANCHMSA-N 361.442 1.271 0 50 FDAA O=C([C@H]1CCc2ncnn2C1)N1CCC(c2nnc3n2CCCCC3)CC1 1857695806 YRIMWGBFVVOKAN-HNNXBMFYSA-N 369.473 1.565 0 50 FDAA O=C1CCOC2(CCN(Cc3nnc(-c4cccc(F)c4)o3)CC2)CN1 1857697209 KLMCUWARKMWSOM-UHFFFAOYSA-N 360.389 1.747 0 50 FDAA COc1cccc(CC(=O)N2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)c1 1857740320 NFRDCXQKSCOAFG-QKLQHJQFSA-N 358.438 1.822 0 50 FDAA CNC(=O)[C@H]1CC[C@H]2OCCN(C(=O)Cc3cnc4c(C)cccn34)[C@@H]2C1 1875243836 ZSHPIUZGJCPARA-USXIJHARSA-N 370.453 1.327 0 50 FDAA C[C@]1(C(=O)NC[C@H](O)COc2ccccc2Br)CCNC1 237763811 YMLKRYYTNCZHJW-NHYWBVRUSA-N 357.248 1.305 0 50 FDAA NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1S(=O)(=O)CCc1ccc2c(c1)CCO2 373111184 KSEFDSABEZQJSP-VYDXJSESSA-N 364.467 1.080 0 50 FDAA COc1ccc(F)cc1CC(=O)N1CCC(C(=O)O)([S@@](C)=O)CC1 909823717 QVTXVWYMXBFXBM-XMMPIXPASA-N 357.403 1.201 0 50 FDAA Cc1cc(C)c(N2CC[C@H](NC(=O)N3C[C@H]4CC[C@H]3CN4)C2=O)c(C)c1 817876220 OJMOPALUPRELAA-IKGGRYGDSA-N 356.470 1.863 0 50 FDAA O=C([C@@H]1C[C@]12CCOC2)N1CCc2nnc(N3CCCOCC3)cc2C1 952891037 SXZBUFHMSDIJGF-KXBFYZLASA-N 358.442 1.015 0 50 FDAA O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)[C@@H]1Cc2cncn2C(=O)N1 952993144 NAPOTPLFPSTIEF-WFASDCNBSA-N 359.817 1.414 0 50 FDAA Cc1cc(N2CCC[C@@H](N(C)S(C)(=O)=O)C2)nc(N(C)C(C)C)n1 1875273662 YJGIHBOAPKVGBQ-CQSZACIVSA-N 355.508 1.490 0 50 FDAA C=CC(=O)N[C@H]1CN(C(=O)Cn2nc(C)c(C)c2C)CC[C@@H]1C(F)(F)F 1875385981 GPODUDMIWAHKTO-KBPBESRZSA-N 372.391 1.890 0 50 FDAA OCc1cc(Br)cnc1N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O 1875399004 LHFJUNSBXHENIX-LERXQTSPSA-N 367.247 1.785 0 50 FDAA Cc1ccc(CN[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)nn1 1875396858 GMGYCSSVOBWSNR-MRXNPFEDSA-N 369.473 1.262 0 50 FDAA CS(=O)(=O)NC(=O)[C@@H]1Cc2ccccc2N1C(=O)OCc1ccccc1 1875391291 CXGVTFDPMGHPBG-INIZCTEOSA-N 374.418 1.830 0 50 FDAA Cc1sc2nc(-c3cccnc3)nc(N3CC(O)(C(N)=O)C3)c2c1C 1875359336 ASSBXYNXPWHCSM-UHFFFAOYSA-N 355.423 1.407 0 50 FDAA CC[C@H](N[C@@H]1CCN(c2nc(C(=O)NC)nc(C)c2C)C1)c1nccn1C 1875301589 OWAKNTBYLQOHNP-CABCVRRESA-N 371.489 1.506 0 50 FDAA COc1ccc2c(N[C@H]3CN(c4cc[nH]c(=N)n4)C[C@H]3OC)ccnc2c1 1875399843 KDDJKONYUOZMSB-DLBZAZTESA-N 366.425 1.762 0 50 FDAA COc1cccc2c(C(=O)N[C@@H]3C[C@H](Cn4cccn4)C[C@H]3O)cnn12 1875400709 JEUDWTFJYHIDHA-JGGQBBKZSA-N 355.398 1.109 0 50 FDAA COc1ccc(C(=O)N2CC[C@H](Oc3ccnc(CN(C)C)c3)C2)nn1 886095470 XMRQTGDUKMFORP-HNNXBMFYSA-N 357.414 1.235 0 50 FDAA C[C@@H]1CCCN(C(=O)CN2CC[C@H](Oc3ccnc(CN(C)C)c3)C2)C1 886096445 HTFHOMRNHUNLDJ-APWZRJJASA-N 360.502 1.855 0 50 FDAA O=C(CN1CCCC[C@H](O)C1=O)NCC1CCN(c2ccccc2)CC1 886078417 YUNOIWAEWSFLQC-SFHVURJKSA-N 359.470 1.393 0 50 FDAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1ccncc1-n1cccn1 2325785999 XRNFLBSEBOKEFB-YSVLISHTSA-N 352.398 1.033 0 50 FDAA CCCc1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n[nH]1 2325843196 YNXSBPGIJZIAQF-ZDUSSCGKSA-N 358.446 1.853 0 50 FDAA COc1ccc(C(=O)Nc2ccc(OCC(N)=O)cc2)c(OC)c1OC 4985794 MNBCWDFGDKTLCP-UHFFFAOYSA-N 360.366 1.829 0 50 FDAA CCOc1ccc(CN2CCN(C)[C@]3(CCNC(=O)CC3)C2)cc1OC 107413805 ZNKMQNKEJVHZFT-HXUWFJFHSA-N 361.486 1.880 0 50 FDAA COc1ccc(S(=O)(=O)NCc2nn(C)cc2Cl)cc1CC(=O)O 414332804 LUPIEBKIMQTZIT-UHFFFAOYSA-N 373.818 1.188 0 50 FDAA COc1cccc(N2CCN(CC(=O)Nc3ccccc3C(N)=O)CC2)c1 55062582 ICSDOAKGEZWSMZ-UHFFFAOYSA-N 368.437 1.555 0 50 FDAA CCc1noc([C@H](C)N2CCN(C(=O)NCc3cscn3)CC2)n1 112136427 GCDUIUOYVFVIRQ-NSHDSACASA-N 350.448 1.677 0 50 FDAA CN1CCN([C@H](C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)c2ccccc2)CC1 247174677 UHRQQZJSRVCEGA-SQNIBIBYSA-N 358.486 1.135 0 50 FDAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)Nc1ccccc1C(N)=O 247850449 RGCQMTQPIQQULL-WQVCFCJDSA-N 359.426 1.530 0 50 FDAA O=C(Nc1ccccc1-c1ccccc1)N[C@@H]1C[C@H]2C(=O)NCC(=O)N2C1 65373863 HKJPXCUASOIAHW-PBHICJAKSA-N 364.405 1.574 0 50 FDAA O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)CNCCN1CCCC1 67804298 MQDKQERLQATKDT-LJQANCHMSA-N 367.440 1.504 0 50 FDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCC(C)C)cc1OC 72174148 FFWDEFOHSOUYRN-OAHLLOKOSA-N 363.458 1.167 0 50 FDAA Cc1nc(CN2CCN(C(=O)c3ccccc3[C@@H]3CCNC3)CC2)no1 72150641 KADJIYWRPIMRLL-OAHLLOKOSA-N 355.442 1.413 0 50 FDAA Cn1cc(CN(Cc2cc3ccccc3o2)[C@@H]2CCNC2)c(=O)n(C)c1=O 328621091 AFPXVTFJNLHLGO-MRXNPFEDSA-N 368.437 1.194 0 50 FDAA O=C(CN1CCN(c2ncccn2)CC1)N1CCC(c2ccncc2)CC1 77320583 URVRQODIGWYVLK-UHFFFAOYSA-N 366.469 1.400 0 50 FDAA CN1CCC[C@@H]1CNC(=O)[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 363118600 BCEYDYMOMOELAI-DOTOQJQBSA-N 369.469 1.626 0 50 FDAA CN(C)c1ncc(CN[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)cn1 487058593 FHCNLDJPZOAMCN-AEFFLSMTSA-N 352.442 1.532 0 50 FDAA COCCn1c(C)cc(C)c(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1=O 218075536 OGCTVLOLTACSHB-UZLBHIALSA-N 362.470 1.879 0 50 FDAA biogenic C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)C[C@]2(CCOC2)O1 280947842 JZESFWCOZFEVFU-IGCXYCKISA-N 353.440 1.579 0 50 FDAA COc1ccc2[nH]c(C(=O)N3CCOC[C@@](O)(CN4CCCC4)C3)cc2c1 77505156 JYPMEFZSKXIEPO-HXUWFJFHSA-N 373.453 1.476 0 50 FDAA CC(C)CCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2ccccn2)[C@H]3C1=O 77454611 PZNVZXRQLLWTRE-NTLWEQJWSA-N 369.465 1.868 0 50 FDAA CCc1cc(C(=O)N2CCN(C(=O)c3ccccc3OC)CC2)n(C)n1 77439658 WNHCWCOEZADZKW-UHFFFAOYSA-N 356.426 1.589 0 50 FDAA COCC(=O)NC[C@@]1(O)CCCN(C(=O)NCc2cccc(F)c2)CC1 72170169 GFNMVUZJXJEYQD-GOSISDBHSA-N 367.421 1.015 0 50 FDAA O=C([C@@H]1CCCN(CC(F)(F)F)C1)N1CCn2c(nnc2C2CC2)C1 370828828 BMJMPDRXMWIJJV-GFCCVEGCSA-N 357.380 1.772 0 50 FDAA COc1ccccc1CCC(=O)N1CCOC[C@](O)(CN2CCCC2)C1 77319870 HDAQBBBHWAOPND-FQEVSTJZSA-N 362.470 1.314 0 50 FDAA Cc1c(C(=O)N(C)C[C@@H]2COc3ccccc3O2)nnn1C1CCNCC1 262603660 DRRHUKPFPIASFW-OAHLLOKOSA-N 371.441 1.423 0 50 FDAA CO[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc3[nH]c(=O)cnc3c2)C12CCC2 333135076 XOVMRDIRKQMTCK-LSDHHAIUSA-N 363.439 1.501 0 50 FDAA O=C1c2ccccc2C(=O)N1CCNC(=O)N1CCCC[C@H]1c1cc[nH]n1 376620297 CLZQFVOJIQRDFY-INIZCTEOSA-N 367.409 1.943 0 50 FDAA Cc1nc2cc(O)nn2c(C)c1CC(=O)Nc1cnn(C)c1C(F)(F)F 446369568 NEHDZRWPNDZKOQ-UHFFFAOYSA-N 368.319 1.985 0 50 FDAA CCN1CCN(S(=O)(=O)CCc2scnc2C)C[C@@H]1c1ncc[nH]1 333452649 SCNSSYITOLYUTM-CYBMUJFWSA-N 369.516 1.426 0 50 FDAA COC[C@H](C)n1c(CCCC(=O)N2CCN(C)C(=O)C2)nc2cccnc21 77470210 XDTDZZKNUZDLFO-AWEZNQCLSA-N 373.457 1.262 0 50 FDAA O=C(O)CC[C@]1(CCC(=O)NCc2ccc3nonc3c2)CCC(=O)N1 218106052 LLYYCFLNBVXWCA-KRWDZBQOSA-N 360.370 1.133 0 50 FDAA Cc1ccn(-c2ccc(N3CCN(C(=O)Cc4ccccc4)CC3)nn2)n1 72437881 DZFPVTLBSJBELJ-UHFFFAOYSA-N 362.437 1.862 0 50 FDAA CN(C)[C@H]1CCN(c2nc(-c3ccc(C(N)=O)cc3)nc3c2CCNC3)C1 71498884 YLCUBGACRNXREN-HNNXBMFYSA-N 366.469 1.029 0 50 FDAA O=C(c1cccnn1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 72168900 ARWXFVGSHOELAN-QXAKKESOSA-N 350.422 1.885 0 50 FDAA COc1cccc(-c2ncc(CNC(=O)[C@@H](C)NS(C)(=O)=O)s2)c1 223453391 WXXFIKNTWNAKMS-SNVBAGLBSA-N 369.468 1.373 0 50 FDAA O=C(NCc1cc2n(n1)CCNC2)[C@@H](O)c1ccc(C(F)(F)F)cc1 82100001 NVLCUHWULKEBSC-AWEZNQCLSA-N 354.332 1.355 0 50 FDAA CN(C)[C@@H]1[C@@H](NS(=O)(=O)c2cc(F)c(F)cc2F)[C@H]2CCO[C@H]21 222495843 RXTMWBMNAVXZQM-DUDQEUOJSA-N 350.362 1.100 0 50 FDAA CCn1ccnc1CN1CCCn2nc(CNC(=O)C3CCC3)cc2C1 82096480 KBIGSRHYHSYCMC-UHFFFAOYSA-N 356.474 1.922 0 50 FDAA COCc1nc(NCCc2cn3ccsc3n2)cc([C@@H]2CCOC2)n1 426545072 NCWIOEFSKLHSEI-GFCCVEGCSA-N 359.455 2.491 0 50 FDAA COc1cc(CNC(=O)Cn2ccc([C@@H]3CCCNC3)n2)cc(OC)c1 426685475 XRLWPOHEQMRMMH-OAHLLOKOSA-N 358.442 1.684 0 50 FDAA COC(=O)N1CCCC[C@@H]1C(=O)N1CCN(Cc2csc(C)n2)CC1 222746561 CIKFHMDYJDHWAW-OAHLLOKOSA-N 366.487 1.717 0 50 FDAA CN(C)C(=O)N1CCCn2nc(CNC(=O)CCc3cccnc3)cc2C1 82166686 MOBPMAMIHSHQSZ-UHFFFAOYSA-N 370.457 1.414 0 50 FDAA C[C@@H](NC(=O)N1CCNC(=O)CC1)c1nc(-c2ccc(Cl)cc2)no1 80566233 JYNLRZAXYCQYEN-SNVBAGLBSA-N 363.805 1.983 0 50 FDAA COc1cccc(N2CCN(C(=O)NCC3CCOCC3)[C@@H](C)C2=O)c1 426377998 NMXDKPDQRRDZTP-AWEZNQCLSA-N 361.442 1.869 0 50 FDAA NS(=O)(=O)C[C@@H]1CCN(C(=O)c2cc(C3CC3)nc3ccccc23)C1 426489373 NSPANTOYYYYZEC-GFCCVEGCSA-N 359.451 1.863 0 50 FDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)Cn1nccc1C)CC2 95502290 WEQQRNXPHCMVFB-UHFFFAOYSA-N 370.457 1.227 0 50 FDAA CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(CCCOc1ccccc1)C2 91624587 QECWZXPGRJIMQZ-DLBZAZTESA-N 359.470 1.467 0 50 FDAA CN1CCN(Cc2nnc(-c3cccc(F)c3)o2)C[C@]12CCNC(=O)CC2 91663856 AHYMQPPOFXMWSA-IBGZPJMESA-N 373.432 1.662 0 50 FDAA CN1CCN(S(=O)(=O)c2cccc(Cl)c2)C[C@]12CCNC(=O)CC2 95365785 DZCLTMXTWKWRQJ-INIZCTEOSA-N 371.890 1.315 0 50 FDAA COCCn1cnnc1CCNC(=O)Nc1cc(-n2cnnc2)ccc1F 96166628 QCXDFFNWOVNBMK-UHFFFAOYSA-N 374.380 1.009 0 50 FDAA C[C@@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1F)N(C)c1ccccc1 91551775 UGHKPXXHWRSVLZ-LBPRGKRZSA-N 365.430 1.728 0 50 FDAA COCCn1c(CNCc2ccc3c(c2)OCO3)nnc1[C@H]1C[C@@H](N)C1 244626668 FQGOFBLTGPGJES-OKILXGFUSA-N 359.430 1.148 0 50 FDAA COCC1(C(=O)N[C@H]2C[C@H](c3cc(N4CC[C@H](O)C4)ncn3)C2)CCC1 244748703 OMWNJSCCEVJBOQ-KKUMJFAQSA-N 360.458 1.227 0 50 FDAA COCCn1nnnc1[C@@H]1CN(CCOc2ccc(C)cc2C)CCO1 240825117 QMXMZOYLKUKYAI-KRWDZBQOSA-N 361.446 1.389 0 50 FDAA COc1ccc(-n2cc([C@@H](C)NC(=O)N3CCCNC(=O)C3)cn2)cc1 534591375 CRGPEONUTHCOJM-CYBMUJFWSA-N 357.414 1.473 0 50 FDAA CN(C)C(=O)CCNC(=O)N1CCN([C@H]2CCc3ccccc3C2)CC1 534676945 BUVZPYJITQCUPE-SFHVURJKSA-N 358.486 1.349 0 50 FDAA O=C(NCc1csc(-c2cnccn2)n1)N1CCC(c2nc[nH]n2)CC1 534672385 VCFDMGZXTKCWEH-UHFFFAOYSA-N 370.442 1.807 0 50 FDAA CCCCN1CCn2nc(CNC(=O)N3CC[C@@H]4CC[C@H](C3)N4C)cc2C1 534640793 ICQQNRVJHOHTRW-ZWKOTPCHSA-N 374.533 1.877 0 50 FDAA Cc1cc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(Cl)cn3)C[C@H]2O)no1 299774899 JADKTEQEAURWDB-BXUZGUMPSA-N 364.789 1.037 0 50 FDAA CNC(=O)c1ccc(C)c(NC(=O)N2CCN(Cc3nccn3C)CC2)c1 299794285 LIJBFUYKHFCPIJ-UHFFFAOYSA-N 370.457 1.438 0 50 FDAA COCCc1noc([C@@H](C)NC(=O)c2ccccc2N2CCOCC2)n1 824462500 WMXMEPSYDRXKGX-CYBMUJFWSA-N 360.414 1.586 0 50 FDAA COCC1CCN(S(=O)(=O)NCc2nc3ccc(F)cc3[nH]2)CC1 824372186 KMGYQROTOWPTAF-UHFFFAOYSA-N 356.423 1.395 0 50 FDAA CCCN1C(=O)N[C@H](CC(=O)NCc2noc(-c3cccs3)n2)C1=O 670456226 DSAFJNKIAPJMRE-SECBINFHSA-N 363.399 1.135 0 50 FDAA Cc1cc(S(=O)(=O)NCCN2CCC[C@@H](CO)C2)c(C)cc1Cl 670465624 LJCYIIDDMUMBAS-CQSZACIVSA-N 360.907 1.939 0 50 FDAA CNC(=O)c1cc(S(=O)(=O)NCCCc2csc(N)n2)cs1 670448686 ZCMFDZZZWYKBTI-UHFFFAOYSA-N 360.486 1.058 0 50 FDAA CC[C@H](C)c1ccccc1OCC(=O)N1CCc2c(c(C(N)=O)nn2C)C1 952980686 QWZOQZOQJOELDL-ZDUSSCGKSA-N 370.453 1.996 0 50 FDAA CCn1ccc(C(=O)N[C@H]2CCOC[C@@H]2OCc2cscn2)cc1=O 1565509309 WENUAYCHZIAGOV-GJZGRUSLSA-N 363.439 1.429 0 50 FDAA Cn1cnc2cc(C(=O)N[C@H]3CCOC[C@@H]3Oc3ccccn3)ccc21 1565511486 XHEBEWCWCZZRPO-YOEHRIQHSA-N 352.394 1.935 0 50 FDAA Cn1ccnc(N2CCC[C@H](Nc3ncc(Br)cn3)C2)c1=O 275629319 MVONJAKSZKRJOL-NSHDSACASA-N 365.235 1.414 0 50 FDAA Cc1ccc(C(=O)NCC(=O)OCCCn2nc3ccccn3c2=O)s1 170633959 BEDSCGBRZMQEPR-UHFFFAOYSA-N 374.422 1.229 0 50 FDAA Cc1nn(-c2ccccc2)c2ncc(C(=O)N[C@H]3CCC(=O)NC3=O)cc12 772716061 JNECNDSFQDNAPD-HNNXBMFYSA-N 363.377 1.264 0 50 FDAA O=C(c1cccnc1)N1CCC(N2CCCN(c3ncccn3)CC2)CC1 1506418813 VOTBATMDBCWKGY-UHFFFAOYSA-N 366.469 1.689 0 50 FDAA COc1ccc(Cl)cc1[C@H](C(=O)O)N1CCOC2(CCNCC2)C1 1529185007 HLOADQCYTFYICE-OAHLLOKOSA-N 354.834 1.929 0 50 FDAA Cc1cnn([C@H](C)C(=O)N2CCCN(C(=O)c3csc(N)n3)CC2)c1 1704315369 AZZNUMZFLDMPNX-GFCCVEGCSA-N 362.459 1.166 0 50 FDAA CSC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)O 4749220 GXQVWIBRUWDXDA-VIFPVBQESA-N 354.247 1.544 0 50 FDAA COc1ccccc1CCNC(=O)C[C@H]1C(=O)NCCN1CC(C)(C)C 11874739 ZIVRUPVOTKCDEY-INIZCTEOSA-N 361.486 1.591 0 50 FDAA CCCCc1nc2cc(C(=O)N3CCNC(=O)[C@H]3CC(=O)OC)ccc2o1 12713420 WVHXTKKESXSXLL-CQSZACIVSA-N 373.409 1.674 0 50 FDAA COc1ccc(C[C@]2(CCC(=O)N[C@H]3CCOC3)CCC(=O)N2)c(F)c1 14880633 FFEKCBMOFIWLRI-LIRRHRJNSA-N 364.417 1.711 0 50 FDAA O=C(Cc1cnc2ncnn2c1)N[C@H]1CCCN(Cc2ccccc2F)C1 14966063 SXNJCMLOWWRTCE-INIZCTEOSA-N 368.416 1.587 0 50 FDAA O=C(Cc1cnc2ccccn12)N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 220243845 IRWSCGWPIFGRRV-WBAXXEDZSA-N 350.422 1.770 0 50 FDAA CC[C@@]12COC(=O)N1CCN(C(=O)c1cc(OC)cc(C(=O)OC)c1)C2 1857677770 CMHBTBBABLPQLN-GOSISDBHSA-N 362.382 1.539 0 50 FDAA CNC(=O)CCCn1cc(-n2ccnc2-c2ccc3c(c2)OCO3)cn1 1857688090 TUKCLOLICDUYNA-UHFFFAOYSA-N 353.382 1.991 0 50 FDAA O=C(CCc1cccc(Cl)c1)N[C@H]1C[C@H]2CO[C@@H](CCO)CN2C1 1857690301 GBDNWOBDOKSJBM-ULQDDVLXSA-N 352.862 1.613 0 50 FDAA O=C(N[C@H]1C[C@H]2CO[C@@H](CCO)CN2C1)c1ccc(C(F)(F)F)cc1 1857692933 AMLZAOYTMKVELX-KKUMJFAQSA-N 358.360 1.659 0 50 FDAA CCn1nc(C)c(CN(CCOC)C(=O)[C@H]2CCc3ncnn3C2)c1C 1857722295 GIOFVKDUFPRMKR-HNNXBMFYSA-N 360.462 1.349 0 50 FDAA CN1CCC[C@@H]1C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 331730504 PSBKQXWLPLHNHO-GFCCVEGCSA-N 364.247 1.945 0 50 FDAA CC(C)CN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 19797209 NFEQFEDSWINARK-KBPBESRZSA-N 365.904 1.525 0 50 FDAA O=C(NC[C@@H]1CCCN(c2cncc(Br)c2)C1)[C@@H]1CCCN1 262398456 CCRYQXHGHJNOGI-WFASDCNBSA-N 367.291 1.929 0 50 FDAA Cc1ccc(C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)c(O)n1 377114856 VGWWSWCYNIIPFL-KGLIPLIRSA-N 367.405 1.745 0 50 FDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3cnc(N)s3)C1)CC2 1704302462 LWBFVDKJBMZLES-QGZVFWFLSA-N 358.471 1.702 0 50 FDAA Cc1ccc(CNC(=O)c2cccn3nnnc23)c(O[C@@H]2CCOC2)c1 825164169 FXDMDUXUIURJIC-CQSZACIVSA-N 353.382 1.530 0 50 FDAA CC(C)NC1(CO)CCN(C(=O)[C@@H](C)NC(=O)c2cccs2)CC1 828690430 HCEFSSQQWSJLRL-CYBMUJFWSA-N 353.488 1.218 0 50 FDAA O=S(=O)(C1CCC(F)(F)CC1)N1CCC(N2CCNCC2)CC1 1875284281 VFVFSUUQRFFXSD-UHFFFAOYSA-N 351.463 1.264 0 50 FDAA Cc1c(C(N)=O)cccc1C(=O)NCCN1CCc2ccccc2C1=O 1875293148 DYZUSNGAKKOWQZ-UHFFFAOYSA-N 351.406 1.522 0 50 FDAA CN(C)C/C=C/C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1CO 1875377233 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CN1CCO[C@@H](CNC(=O)C2(c3ccccc3)CC2)[C@@H]1c1ccnn1C 886080084 MFFHCDNNAYGLJE-ROUUACIJSA-N 354.454 1.640 0 50 FDAA CN(CCN1CCCC1=O)C(=O)C(=O)N1CC[C@@H](c2ccccc2)C1(C)C 2325753132 YXEWIGUQPGIRNS-KRWDZBQOSA-N 371.481 1.862 0 50 FDAA COCc1cn2cc(C(=O)N3CCN[C@H](c4cn[nH]c4)C3)cc(F)c2n1 2325799256 BJERZHWESHJRBS-HNNXBMFYSA-N 358.377 1.130 0 50 FDAA O=C1CC(CC(=O)N2CC(c3ccccc3Br)C2)CC(=O)N1 2325802478 JLUYJBCVRSMQCR-UHFFFAOYSA-N 365.227 1.818 0 50 FDAA O=C(O)[C@H]1Cc2nnc(CNC(=O)[C@H]3SCCc4ccccc43)n2C1 2325812882 OXQPKCPBMHAUBC-NHYWBVRUSA-N 358.423 1.182 0 50 FDAA Cn1nc(C2CC2)cc1S(=O)(=O)Nc1ccccc1Cn1cncn1 901863955 PYPJLJNILAEAPO-UHFFFAOYSA-N 358.427 1.738 0 50 FDAA CNC(=O)Nc1ccc(C(=O)N[C@@H]2c3cccc(O)c3C[C@@H]2C(=O)O)cc1 2332239246 AIAOTJWQHRPTHB-GOEBONIOSA-N 369.377 1.872 0 50 FDAA Nn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1cccnc1 1049703 OVZVAZMJTLAAOQ-UHFFFAOYSA-N 370.394 1.513 0 50 FDAA Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@]12CCCN(C(C)C)C2=O 2356134031 UIGJQENRXLTEHU-QGZVFWFLSA-N 368.503 1.591 0 50 FDAA O=C(O)c1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 4797220 MONULGLQVUXWFV-UHFFFAOYSA-N 374.374 1.839 0 50 FDAA COc1ccc(C)cc1S(=O)(=O)N(CC(N)=O)c1ccc(F)cc1 4854492 DTKPCHABVQKTEM-UHFFFAOYSA-N 352.387 1.823 0 50 FDAA CC1CCN(CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 7728760 SPTFHZFCHUQSJC-UHFFFAOYSA-N 354.472 1.858 0 50 FDAA O=C(O)[C@@H](c1ccc2c(c1)OCO2)N1CCCN(c2ncccn2)CC1 108005157 NEWBVQQKUJYLDE-MRXNPFEDSA-N 356.382 1.543 0 50 FDAA COC(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 100839177 GFLXDNHNMXOWEX-MGBSGCIJSA-N 370.405 1.833 0 50 FDAA CCC[C@H](C)c1c(O)nc(SCC(=O)N2CCOCC2)n(CC)c1=O 23115578 DEYZACQKFOJBGZ-LBPRGKRZSA-N 369.487 1.823 0 50 FDAA O=C(Cc1ccccc1)NCc1nnc2n1CCN([C@H]1CCSC1)CC2 64167385 SVJWXKXWFWTTSC-INIZCTEOSA-N 371.510 1.501 0 50 FDAA Cc1nc2cc(OCc3nc(C(=O)NC(CO)CO)co3)ccc2s1 67588254 OQXGJZOMDXHQEH-UHFFFAOYSA-N 363.395 1.255 0 50 FDAA Cc1nc(N2CCN(C[C@@H](O)CN(C)C)CC2)nc2cc3c(cc12)CCC3 67789788 VXBKHKRLVXXXJL-SFHVURJKSA-N 369.513 1.471 0 50 FDAA CCN(CC)Cc1cnc2c(C(=O)N[C@@H]3CCCN(C(C)=O)C3)cnn2c1 67965714 PMVFZCVVPOTZCG-MRXNPFEDSA-N 372.473 1.312 0 50 FDAA CN1CCN([C@@H]2CCN(C(=O)Cc3ccccc3Cl)C[C@H]2O)CC1 23373371 NGSIGCUSQYFMMC-IAGOWNOFSA-N 351.878 1.092 0 50 FDAA NS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cccc(-n3cccc3)c2)C1 119050823 ZXOMWKDWPXYBAT-AWEZNQCLSA-N 362.455 1.123 0 50 FDAA CCN(CC)Cc1cnc2c(C(=O)N3CC[C@@H]4CC[C@H](C3)N4C)cnn2c1 67643377 GDEANQQXWYHMGM-DLBZAZTESA-N 370.501 1.880 0 50 FDAA CCn1cc(NC(=O)c2c(Br)c(C)nn2C)c(C(N)=O)n1 2780421 LKPUKPXNHGHKCY-UHFFFAOYSA-N 355.196 1.059 0 50 FDAA Cc1nc2c(C)cccc2cc1C(=O)N1CCNC[C@H]1C(=O)NC1CC1 72174271 LXLNGVJCUYRRGB-KRWDZBQOSA-N 352.438 1.544 0 50 FDAA Cc1cc(N2CCN[C@@H](C(=O)N3CCCC3)C2)nc(-c2ccccc2)n1 72122448 MRTHHOWOOBZMKM-QGZVFWFLSA-N 351.454 1.853 0 50 FDAA O=S(=O)(NCc1ccccc1)N1CCC[C@@H](c2nnc3ccccn23)C1 72147539 BQQLEVDFXNXXSS-MRXNPFEDSA-N 371.466 1.943 0 50 FDAA Cc1ccccc1C(=O)N1CCC(C(=O)N2CCC[C@](O)(CO)C2)CC1 72129690 CXXLBSULQGJEMN-HXUWFJFHSA-N 360.454 1.193 0 50 FDAA Cn1nccc1NC(=O)N1CCC[C@@H](N(C2CCC2)S(C)(=O)=O)CC1 328626054 DTTHXQDVZAPVJK-CQSZACIVSA-N 369.491 1.621 0 50 FDAA Cn1cc([C@H]2CS(=O)(=O)CCN2C(=O)c2ccc(Cl)s2)cn1 328626886 MDNFAPSQNSWLLF-SNVBAGLBSA-N 359.860 1.747 0 50 FDAA c1nc(N2CCC[C@H](c3n[nH]cc3CN3CCOCC3)C2)c2c[nH]nc2n1 328626116 LJMOGLVKUOCZRF-ZDUSSCGKSA-N 368.445 1.292 0 50 FDAA Cn1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c(=O)[nH]c1=O 216059090 PFSPYMYNCBMUST-LLVKDONJSA-N 354.366 1.235 0 50 FDAA CCN(C)[C@H]1CN(Cc2cc3ccccc3nc2N2CCOCC2)C[C@@H]1O 72421122 DQLWYDXDHIJRJW-PMACEKPBSA-N 370.497 1.568 0 50 FDAA CCOC(=O)c1cnc(NC(=O)NC[C@H](C(C)C)N2CCOCC2)n1C 253424163 BFYQZFSGYHBMDE-CYBMUJFWSA-N 367.450 1.075 0 50 FDAA CSCc1ccc(C(=O)N2CCO[C@H](C(=O)N3CCSCC3)C2)o1 72481277 FAPGFPPTQUZZDI-AWEZNQCLSA-N 370.496 1.559 0 50 FDAA C[C@@H]1CN(C(=O)Cn2cc(NC(=O)c3cc(Cl)c[nH]3)cn2)C[C@@H](C)O1 151768725 ZXZPWDBHTDNLMI-GHMZBOCLSA-N 365.821 1.753 0 50 FDAA O=C(CCn1cnc2ccccc21)N1CCC(N2CCC[C@H](O)C2)CC1 72472826 RMTSTPMBNJMRST-KRWDZBQOSA-N 356.470 1.874 0 50 FDAA CC1CCN(CCNC(=O)C2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 71422184 KEUBVEKOLOEGGU-KRWDZBQOSA-N 351.491 1.252 0 50 FDAA Cc1nc([C@H]2CCCN(Cc3nc(C(N)=O)no3)C2)cc(N2CCCC2)n1 72454096 VIVFBVQHLWCSOA-ZDUSSCGKSA-N 371.445 1.247 0 50 FDAA Cc1nc(NCCS(=O)(=O)c2ccccn2)cc([C@@H]2CCCNC2)n1 39455566 DMXOXBGMHPAEHH-CQSZACIVSA-N 361.471 1.533 0 50 FDAA Cc1nc2ccc(C(=O)N3CCO[C@H](CN4CCN(C)CC4)C3)cc2o1 369407299 GGOYVJCURLBOGO-MRXNPFEDSA-N 358.442 1.225 0 50 FDAA Cc1ccc(N2CCN(C(=O)c3ccc(N(C)CCO)cc3)CC2=O)cc1 77439994 IXLHQWNVYGFAQC-UHFFFAOYSA-N 367.449 1.913 0 50 FDAA COc1ncccc1C(=O)N1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1 72147082 WUGLDOLOEKUOQA-UHFFFAOYSA-N 363.377 1.434 0 50 FDAA NC1C[C@@H]2CS(=O)(=O)C[C@H](C1)C2NC(=O)C1C2CC3CC(C2)CC1C3 374027439 NHMAIHKTZXUUTE-NPNHDHIBSA-N 366.527 1.325 0 50 FDAA CC(C)CCN1CCNC(=O)[C@H]1CC(=O)N(Cc1cccnc1)C1CC1 72133395 VZMJNUIWIOJAFO-GOSISDBHSA-N 358.486 1.809 0 50 FDAA CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(S(C)(=O)=O)cc1 241465992 NTRPEQCVDPVSNG-SJORKVTESA-N 364.467 1.706 0 50 FDAA CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H]3[C@@H](C2)C3(C)C)c1 173565713 KVAPLIITFDVJRH-OKILXGFUSA-N 358.485 1.213 0 50 FDAA Cc1nn(C)c(C)c1CCC(=O)N1CCc2onc(C(=O)N(C)C)c2C1 82098262 HDAAOTKMICIGEK-UHFFFAOYSA-N 359.430 1.244 0 50 FDAA CN1CCN(C(=O)C[C@H]2Cn3ncc(-c4ccccc4)c3NC2=O)CC1 16626183 QYMKQWFNRVHQAC-HNNXBMFYSA-N 353.426 1.283 0 50 FDAA Cc1ccc(Cn2nc(C)c(CCC(=O)N3C[C@@H](O)[C@H](CO)C3)c2C)cc1 458020655 GENXSTSHLVBQMM-AZUAARDMSA-N 371.481 1.601 0 50 FDAA COc1ccc(OC2CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC2)cc1 82120021 VPUMFVFRNKBTST-LBPRGKRZSA-N 356.444 1.003 0 50 FDAA Cc1cccc(C[C@H](C)NC(=O)N2CCN(CC(=O)N3CCCC3)CC2)n1 426395171 LKAOQFIUDJAIAU-KRWDZBQOSA-N 373.501 1.271 0 50 FDAA O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)NCCc1cnn[nH]1 426523265 VZPQVQUZOHQTRA-UHFFFAOYSA-N 374.404 1.541 0 50 FDAA COCCN(Cc1cnn(C)c1)C(=O)NC[C@H]1CCCN(C(C)C)C1 426491550 PUAKGVFRLCOELR-MRXNPFEDSA-N 351.495 1.699 0 50 FDAA CN1CCN(CCC(=O)N2CCC([C@H](O)CCc3ccccc3)CC2)CC1 221406508 CFZKASCIHXIUFK-OAQYLSRUSA-N 373.541 1.856 0 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O=C(c1ccc(S(=O)(=O)NCC2CCCCC2)cc1)N1CC[C@@H](O)C1 91461769 BREINERFXTUTPZ-MRXNPFEDSA-N 366.483 1.752 0 50 FDAA CCc1ccc(Cn2nc(CC(N)=O)nc2-c2cn3cccnc3n2)cc1 96138919 HACJQPRJXYUXFG-UHFFFAOYSA-N 361.409 1.626 0 50 FDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H]1CCCN1CC)CC2 95511694 JADFPUHZVSFRLX-MRXNPFEDSA-N 373.501 1.506 0 50 FDAA CN1CCC(Cc2nc(-c3cnc(O)cn3)n(CC(F)(F)F)n2)CC1 96133571 ACQJRWBHXDMFED-UHFFFAOYSA-N 356.352 1.887 0 50 FDAA COc1cccc(CN2C[C@H](C(=O)NCc3n[nH]c(C)n3)CCC2=O)c1 91563458 HPHXKLLRJFFHGP-CQSZACIVSA-N 357.414 1.177 0 50 FDAA CNC(=O)c1ccc(NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)cc1 253414786 YPINKLQXMUEFLG-OAHLLOKOSA-N 366.377 1.126 0 50 FDAA biogenic CCN1CCN(C(=O)c2nnn3cc(-c4ccccc4)nc(O)c23)CC1 263616726 KFMDQWVZIYKIBT-UHFFFAOYSA-N 352.398 1.275 0 50 FDAA CN(CCCNC(=O)N1CCC[C@H](CS(C)(=O)=O)C1)c1ccccc1 298647393 JYGSLTOQYODIHK-INIZCTEOSA-N 367.515 1.979 0 50 FDAA Cc1nc(O)nc(O)c1CC(=O)N1CCN(C2Cc3ccccc3C2)CC1 299757473 HVKRUARRGPKWEY-UHFFFAOYSA-N 368.437 1.050 0 50 FDAA CCc1cc(S(=O)(=O)N2CC[C@H](N3CCN(C)CC3)C2)ccc1OC 823504528 ZGIJENGRDLSBIQ-INIZCTEOSA-N 367.515 1.268 0 50 FDAA Cc1ccn(CC(=O)N2CCC3(CC2)CN([C@@H]2CCSC2)CCO3)n1 827921102 JDMYMSPUVHMUNW-MRXNPFEDSA-N 364.515 1.390 0 50 FDAA O=C1CCc2c1cccc2C(=O)NCC1CCN(C(=O)[C@H]2CCCO2)CC1 827910597 RUPWHNQIWPABCH-LJQANCHMSA-N 370.449 1.963 0 50 FDAA Cc1nc(C)n(CCCNC(=O)N(C)Cc2nc(-c3cccnc3)no2)n1 584895534 WAOLWYCXEHXLKZ-UHFFFAOYSA-N 370.417 1.572 0 50 FDAA COCCN1CC[C@H](CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 670463626 WXZQBKONBWUREL-CQSZACIVSA-N 370.471 1.095 0 50 FDAA O=C(NCC1CCN(CC[C@H]2CCS(=O)(=O)C2)CC1)c1ccoc1 952971573 SRPLKYQODSCOGE-HNNXBMFYSA-N 354.472 1.546 0 50 FDAA Cc1cc(C)nc(CN(C)S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1 952868568 CFDIUAOEJGFUBF-UHFFFAOYSA-N 369.468 1.167 0 50 FDAA O=C(c1ccncc1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)Cn1ccccc1=O 1565513273 XFWITARTDQPZHN-WBVHZDCISA-N 366.421 1.007 0 50 FDAA O=C(Cn1c(=O)oc2ccccc21)N[C@H]1CCOC[C@@H]1Oc1ccccn1 1565510807 QROWXURWFGQXCO-BBRMVZONSA-N 369.377 1.342 0 50 FDAA CN(CC(=O)N[C@H]1COCC[C@@H]1Oc1ccccn1)Cc1ccccc1 1565509087 PTLBFVGOKVGJGR-ROUUACIJSA-N 355.438 1.866 0 50 FDAA Cc1cnc2c(C(=O)N[C@H]3CCOC[C@@H]3OCc3ccccn3)cnn2c1 1565511303 QWDFLUPJVGOWEK-IRXDYDNUSA-N 367.409 1.537 0 50 FDAA COCCn1cc(S(=O)(=O)N(C)[C@H]2CCCc3nc(C)sc32)cn1 269583285 ANCHLHWSNIYMPP-AWEZNQCLSA-N 370.500 1.993 0 50 FDAA Cc1ccc(CNC(=O)NCC(=O)N[C@@H]2c3ccccc3C[C@H]2O)cc1 269645495 YRVGIUHEXWWKCK-IEBWSBKVSA-N 353.422 1.569 0 50 FDAA CCS(=O)(=O)N1CCC(C(=O)Nc2c(F)cccc2C(=O)OC)CC1 170602909 IGQBEVXIFCTHJY-UHFFFAOYSA-N 372.418 1.613 0 50 FDAA C[C@H]1Oc2ccccc2N(CC(=O)NCCc2ccc(C(=O)O)cc2)C1=O 170623539 SAXYFDQEWABRPM-CYBMUJFWSA-N 368.389 1.858 0 50 FDAA CCn1cnc2c(c1=O)CCN(C[C@H](O)COc1cc(C)cc(C)c1)C2 170619492 ZBXOFRDXHBICAC-INIZCTEOSA-N 357.454 1.678 0 50 FDAA COC[C@]1(C)NC(=O)N(Cc2nn(-c3ccccc3)c3c2CCC3)C1=O 170620729 ULAWVHKKHNCNOW-IBGZPJMESA-N 354.410 1.818 0 50 FDAA CCOc1ccc(OCC(=O)N2C[C@@H](O)[C@H](Cc3ccncc3)C2)cc1 1704280192 SBUSTKYWLYEXMG-VQIMIIECSA-N 356.422 1.921 0 50 FDAA O=C(O)[C@@]1(CC2CC2)CN(S(=O)(=O)c2ccccc2F)CC[C@@H]1O 1704300517 YIVCDUOHYQTQKD-HOCLYGCPSA-N 357.403 1.452 0 50 FDAA Cc1ccc(N2CCCN(C(=O)c3cnc4ccnn4c3C)CC2)nn1 1772805725 RIRCAGHIVUKYPU-UHFFFAOYSA-N 351.414 1.489 0 50 FDAA CC1(C)CNC(=O)C2(CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)NC1 1772817386 NRXPQXCIXIHKHB-UHFFFAOYSA-N 373.453 1.065 0 50 FDAA CCCNS(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1OC 13945934 HGXOUFNMELLCES-UHFFFAOYSA-N 352.412 1.907 0 50 FDAA O=C(c1cccc2ccccc12)N1CCN2C(=O)[C@@H]3CCCN3C(=O)[C@H]2C1 14543017 BGCAYFOXIOHFJU-ZWKOTPCHSA-N 363.417 1.497 0 50 FDAA CCc1ccc(S(=O)(=O)NCCNc2ccc(-n3cccn3)nn2)cc1 19924322 BIZQCSOUAMLBKT-UHFFFAOYSA-N 372.454 1.615 0 50 FDAA CNC(=O)c1noc(CN2CCc3c(-c4ccccc4)nn(C)c3CC2)n1 1857673931 UADNPPXRSPNLRA-UHFFFAOYSA-N 366.425 1.431 0 50 FDAA Cc1ccc2oc(N3CCC(C(=O)N4CCCN(C)CC4)CC3)nc2n1 1857698033 SOVONEWPPOFNDN-UHFFFAOYSA-N 357.458 1.912 0 50 FDAA Cn1ccnc1CN(C(=O)[C@]12CNC[C@H]1CN(C1CCCC1)C2)C1CC1 210414993 JQVUWESOVSLAKF-YWZLYKJASA-N 357.502 1.375 0 50 FDAA Cc1csc(=O)n1CCC(=O)N1CCN(C(=O)N(C)C)CC1(C)C 408126602 QUEXYIOHDCVBHH-UHFFFAOYSA-N 354.476 1.213 0 50 FDAA CC(C)(C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)c1ccccc1 126824888 STZMMPGGZSBXBI-UHFFFAOYSA-N 356.426 1.658 0 50 FDAA Cc1nc2n(n1)C[C@@H](NC(=O)N1CCO[C@@H](c3cccc(O)c3)C1)CC2 138622445 FEDNDVYAGHXYLM-GOEBONIOSA-N 357.414 1.390 0 50 FDAA CC1(C)[C@@H](NS(=O)(=O)N2CCC3(CC2)OCCO3)[C@@H]1c1ccccc1 859265096 PLDAESAFEKGHMF-HOTGVXAUSA-N 366.483 1.852 0 50 FDAA O=C(O)COc1ccc(/C=c2/s/c(=C\C(=O)c3ccco3)nc2O)cc1 1875253723 QGCZVTUSWZUOEZ-MICXRRPDSA-N 371.370 1.397 0 50 FDAA COC(=O)[C@@]1(F)CN(C(=O)COc2ccccc2C(C)C)C[C@H]1CN 1875292907 WFGRQFZVICHQBT-FZKQIMNGSA-N 352.406 1.487 0 50 FDAA CC(C)n1nccc1[C@@]12CC[C@@H](C1)[C@@H]2C(=O)NCCN=c1cncc[nH]1 1875393795 SWNSXEUGSZJPLE-POZUXBRTSA-N 354.458 1.572 0 50 FDAA COc1cc(OC)cc(C(=O)N2CCc3c(cnn3C)[C@@H]2C(=O)N(C)C)c1 1875394865 ZHTXFPSPOFCVRE-QGZVFWFLSA-N 372.425 1.265 0 50 FDAA O=C(NC[C@H]1CCCC2(CN(c3nnc(C4CC4)o3)C2)O1)c1cocn1 1875408239 RGJQXPKCXYYIBU-GFCCVEGCSA-N 359.386 1.493 0 50 FDAA CN1CCN(C(=O)c2n[nH]c3c(O)ncnc23)C[C@H]1c1ccccc1Cl 1875403835 GJKHYYUDWFMQQC-LBPRGKRZSA-N 372.816 1.841 0 50 FDAA Cc1cc([C@@H](C)NC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)no1 888102298 PHECTOJBCIBEGO-CYBMUJFWSA-N 370.475 1.644 0 50 FDAA O=C(C[C@@H]1OCCc2ccccc21)N1CC[C@@H](c2cc(O)nc(O)n2)C1 898237785 JOFMMQLPRPAOKI-CJNGLKHVSA-N 355.394 1.908 0 50 FDAA O=C(O)C[C@H]1CN(c2ccc3nnc(C(F)(F)F)n3n2)CC2(CCC2)O1 2325787239 LNGJRMCVNHJDBA-VIFPVBQESA-N 371.319 1.746 0 50 FDAA NC(=O)CNC(=O)c1n[nH]cc1NC(=O)c1cc(F)c(Cl)cc1Cl 2325799766 WMMIXAYQWVSXNL-UHFFFAOYSA-N 374.159 1.323 0 50 FDAA CN1CCN(C(=O)Cc2ccccc2Cc2nn[nH]n2)Cc2ccccc21 2325807794 SYCBJILUIDISDC-UHFFFAOYSA-N 362.437 1.812 0 50 FDAA COc1ccc(OC)c(N(CC(N)=O)S(=O)(=O)c2ccc(C)cc2)c1 972186 TYZWCVUXQKIOSC-UHFFFAOYSA-N 364.423 1.693 0 50 FDAA O=C(COc1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1 1054449 SOUBFYITSALFGH-UHFFFAOYSA-N 366.464 1.660 0 50 FDAA COc1ccccc1N(C[C@@H](O)CN(C)C)S(=O)(=O)c1ccccc1 1815933 NABFGWBKTOGFEG-HNNXBMFYSA-N 364.467 1.813 0 50 FDAA COc1ccc(N(CC(=O)N2CCC[C@@H](C)C2)S(C)(=O)=O)cc1OC 10541364 AICVVGAAZZZBRE-CYBMUJFWSA-N 370.471 1.728 0 50 FDAA CC[C@@H]1CN(C)CCCN1S(=O)(=O)Cc1ccccc1C(=O)OC 225548651 NKYTZCFPAJTRTJ-OAHLLOKOSA-N 354.472 1.719 0 50 FDAA COc1ccc2nc(SCC(=O)N3CCC(C(N)=O)CC3)nc(C)c2c1 9341664 XASGYRGBURPRQC-UHFFFAOYSA-N 374.466 1.763 0 50 FDAA C[C@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(=O)NCc1ccccn1 225856792 XFBZJDXZOYRKDV-UONOGXRCSA-N 371.393 1.271 0 50 FDAA C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@@](CO)(CCO)O2 3881717 XYPPDQHBNJURHU-IPOQXWOTSA-N 356.503 1.855 0 50 FDAA biogenic,in-vitro COc1ccc2[nH]c(CN3CCN(c4cnn(C)c(=O)c4)CC3)c(C)c2c1 20778201 SXDCUTVSGTXHKY-UHFFFAOYSA-N 367.453 1.901 0 50 FDAA CN(CCN1CCCC1)C[C@]1(O)CCCN(Cc2ccccc2F)C1=O 67691063 KHQALHMFRLTXOL-HXUWFJFHSA-N 363.477 1.707 0 50 FDAA CC(C)CN1CC[C@@H](CNC(=O)c2ccc(N3CCN(C)C(=O)C3)nc2)C1 67446652 LEKOHFLFJIPYRN-INIZCTEOSA-N 373.501 1.068 0 50 FDAA Cc1ccc(S(=O)(=O)NCCNc2cc(-n3cccn3)ncn2)cc1 65364770 VYVPONYOAUAZDT-UHFFFAOYSA-N 358.427 1.361 0 50 FDAA O=C([C@@H]1CCCN1C(=O)c1ccccc1OC(F)F)N1CCC(O)CC1 119951031 YVELPJLNWJOQPW-AWEZNQCLSA-N 368.380 1.876 0 50 FDAA CCOC(=O)c1nnn(-c2nc(OC)nc(N(C(C)C)C(C)C)n2)c1C 1428524 NVCNYEHHXOUSLB-UHFFFAOYSA-N 363.422 1.569 0 50 FDAA Cc1ccc2[nH]c(SCC(=O)NCCSc3nnnn3C)nc2c1 219915097 CRJWNOACDAAFPA-UHFFFAOYSA-N 363.472 1.395 0 50 FDAA CCN(CC)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)c(OC)c1 72147991 UFBKZAUSIVOBIX-OAHLLOKOSA-N 363.458 1.263 0 50 FDAA Cc1cccc(OC2(C(=O)O)CCN(C(=O)c3ccc(O)nn3)CC2)c1 72430717 UBPKBLLUODEASO-UHFFFAOYSA-N 357.366 1.629 0 50 FDAA CCNC(=O)c1ccnc(N2CCC(C(=O)O)(n3ccnc3C)CC2)c1 72426635 UEQIHQWBGIYVAN-UHFFFAOYSA-N 357.414 1.417 0 50 FDAA CSCc1ccc(C(=O)N2CCc3c(ncnc3N3CCOCC3)C2)o1 77406195 GEJZIOMEDRBYQE-UHFFFAOYSA-N 374.466 1.968 0 50 FDAA CCCS(=O)(=O)N1CCC(c2nnc(CN3CCCC3)n2CC)CC1 77302571 LDFGLUDTQCKSPX-UHFFFAOYSA-N 369.535 1.813 0 50 FDAA C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)C(=O)N1CCCC[C@@H]1C 363634672 NSTCCQJBMNONHI-JYJNAYRXSA-N 372.469 1.336 0 50 FDAA Cn1c(-c2ccccc2Cl)cn2cc(C(=O)NCCCCO)nc2c1=O 72476533 LPWHNNBJAZZCSL-UHFFFAOYSA-N 374.828 1.856 0 50 FDAA Cc1ccnc(NC[C@@H]2CCN(c3ncnc(-n4cccn4)c3N)C2)c1 368570425 UJAGOIQTBZNZAH-AWEZNQCLSA-N 350.430 1.886 0 50 FDAA Cn1c(CN2CCC(O)CC2)nnc1C1CCN(Cc2cccnc2)CC1 77379157 UGXJBDBCYBGPJI-UHFFFAOYSA-N 370.501 1.546 0 50 FDAA Cc1cccc(N2N=C(C(=O)NC[C@H](O)c3cnn(C)c3)CCC2=O)c1 369792216 UPWMNDSXBFWZMP-INIZCTEOSA-N 355.398 1.061 0 50 FDAA Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1cc(-n2cnnn2)ccc1O 219562249 PEHBOSINKQEGIC-AWEZNQCLSA-N 354.370 1.950 0 50 FDAA COc1cccc(C(=O)NCC(=O)N2CCc3ccccc3[C@@H]2C(=O)O)c1 262758188 KBZYPBUNXYFIBN-GOSISDBHSA-N 368.389 1.636 0 50 FDAA COCCCNc1nc(CN2CCN(C=O)CC2)nc2ccc(C)cc12 14990756 DVJDHQHHUGAIKZ-UHFFFAOYSA-N 357.458 1.661 0 50 FDAA CC[C@@H](C(=O)N1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1)n1cccn1 71763115 LYEFSVURLZPNBP-INIZCTEOSA-N 364.409 1.564 0 50 FDAA Cn1nncc1C(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 281601418 VNOZNXRZPSSHGB-UHFFFAOYSA-N 353.348 1.792 0 50 FDAA CN1CCN([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1=O 173789043 SWPIUARCRBJBMA-CQSZACIVSA-N 353.369 1.557 0 50 FDAA Cn1ncnc1[C@@H]1COCCN1C(=O)c1cc(Br)cs1 284436019 JMGXHADPRUGXSD-VIFPVBQESA-N 357.233 1.853 0 50 FDAA Cc1cnn(-c2cc(N3CCC(Cn4cc(CCO)nn4)CC3)ncn2)c1 48294105 XUVOVKYLQCLSCO-UHFFFAOYSA-N 368.445 1.014 0 50 FDAA CS(=O)(=O)N1CCCN(C(=O)c2ccc(-c3ncccc3N)cc2)CC1 426489484 CYFWPFIIZQSNQX-UHFFFAOYSA-N 374.466 1.438 0 50 FDAA O=C(Cn1cnc2ccsc2c1=O)NCc1ccc(-c2ncon2)cc1 426493964 FQHJWXRZMCZYII-UHFFFAOYSA-N 367.390 1.824 0 50 FDAA CN(Cc1cnccn1)C(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCC1 221352362 BECGOBFLMYAFAA-UHFFFAOYSA-N 359.451 1.960 0 50 FDAA Cc1noc(C)c1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(N)=O)cc1 223283307 OBNYTJUBNQDSMD-HUUCEWRRSA-N 359.382 1.357 0 50 FDAA O=C(NCc1cc2n(n1)CCCNC2)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 82097049 SGHKIKPLZBKRST-CYBMUJFWSA-N 371.416 1.185 0 50 FDAA Cc1cccc(-n2cc(CNC(=O)[C@H]3CSC(C)(C)C(=O)N3)cn2)c1 426548526 NFPWLMKMLPQAOG-OAHLLOKOSA-N 358.467 1.807 0 50 FDAA CN(CCCc1cnn(C)c1)C(=O)[C@@H]1CC(=O)N(Cc2cccnc2)C1 95523867 FDWWWLKESNTUHG-QGZVFWFLSA-N 355.442 1.255 0 50 FDAA CN(C)Cc1ccc(C(=O)N[C@@H]2CCN(Cc3cscn3)C[C@H]2O)o1 426726943 UUNNYHDPRVRUKK-HUUCEWRRSA-N 364.471 1.163 0 50 FDAA COCC(=O)N1CCC2(CCN(Cc3cccc(C)n3)CC2)[C@@H](CO)C1 97675464 YDQYMAVUPTWXCA-QGZVFWFLSA-N 361.486 1.459 0 50 FDAA CN(Cc1nc(-c2ccccc2)no1)C(=O)Cn1ncc(N(C)C)cc1=O 95501430 JKKQGDMODXGOHJ-UHFFFAOYSA-N 368.397 1.018 0 50 FDAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCc2nc(-c3ccco3)no2)on1 96180615 ZRRUAKYFFSZTGZ-OCCSQVGLSA-N 372.381 1.933 0 50 FDAA O=C([C@H]1CCOc2ccccc2C1)N1CCN(CCn2cncn2)CC1 96165323 NLSGMODFHLMIHP-KRWDZBQOSA-N 355.442 1.064 0 50 FDAA Nc1cccc(C(=O)N2CCn3nc(CNC(=O)C4CCCC4)cc3C2)n1 426578888 WYAUDPMQARFLNF-UHFFFAOYSA-N 368.441 1.323 0 50 FDAA Cc1cc(C(F)(F)F)cc(N2C[C@H](CO)[C@H](CN3CCOCC3)C2)n1 91769405 MJPBEVAKMQEPRH-ZIAGYGMSSA-N 359.392 1.786 0 50 FDAA CCc1ncc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2cnccn2)C3)cn1 91487150 TVNZGBIVFSGIRE-DZGCQCFKSA-N 366.425 1.206 0 50 FDAA Cc1ccc([C@@H](CNC(=O)c2n[nH]c3c2COCC3)N2CCOCC2)o1 97631944 NSGKALDUKXIRGE-OAHLLOKOSA-N 360.414 1.187 0 50 FDAA CCC[C@]1(C(=O)O)CCCN(C(=O)C2CCN(C(=O)N(C)C)CC2)C1 91986232 LBCHWWWUKVDULS-SFHVURJKSA-N 353.463 1.874 0 50 FDAA COCC(=O)N1C[C@@H]2CN(Cc3cccc(SC)c3)C[C@]2(C(=O)O)C1 96151466 HFAIKEKUZXCCLD-KSSFIOAISA-N 364.467 1.400 0 50 FDAA COc1ccccc1[C@@H]1CN(C(=O)c2cc(=O)c(OC)co2)C[C@H]1C(=O)O 91859862 XMJOSHBHWHNQLY-QWHCGFSZSA-N 373.361 1.597 0 50 FDAA CCc1nc(C)c(CC(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)c(=O)[nH]1 92061929 YKBQHNZVSZEUQA-JKSUJKDBSA-N 369.421 1.510 0 50 FDAA Cc1cc(C(=O)N2CCC(C(=O)NCc3ccco3)CC2)c(=O)[nH]c1C 92046107 PYGIQYXXDHKQGH-UHFFFAOYSA-N 357.410 1.753 0 50 FDAA COC(=O)CN1CCC(NC(=O)c2ccc([C@H]3CCCNC3)cc2)CC1 95357735 VWNFTRAQOOSFBM-KRWDZBQOSA-N 359.470 1.521 0 50 FDAA Cc1ncc(S(C)(=O)=O)c(N[C@H](CO)Cc2c[nH]c3ccccc23)n1 95367625 MGLODSQWMJMWTN-ZDUSSCGKSA-N 360.439 1.685 0 50 FDAA O=C(N[C@@H]1CCN(c2nccnc2N2CCCC2)C[C@H]1O)c1ccccc1 243885815 ACMDGGVXUAZFHA-IAGOWNOFSA-N 367.453 1.446 0 50 FDAA Cc1ccc(N2CCN(C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(=O)O)C[C@@H]2C)cc1 245255169 FUMBRRPVZRBAAB-XBKGKQEASA-N 358.438 1.910 0 50 FDAA Cc1nc2nc(C)c(CCC(=O)N[C@@H](CO)c3ccccc3)c(O)n2n1 252535989 HKBBYKKKEJQVJG-HNNXBMFYSA-N 355.398 1.229 0 50 FDAA COCCc1noc([C@@H]2CCCCN2Cc2nc(O)c3cnn(C)c3n2)n1 253536966 RQQVEXADRYMTNZ-LBPRGKRZSA-N 373.417 1.368 0 50 FDAA CCCN(C[C@H]1CCCCO1)S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 181187765 AXZUSZZUENMAKR-CQSZACIVSA-N 371.503 1.697 0 50 FDAA CC(C)C[C@H]1C(=O)NCCCN1C(=O)c1c(Br)cnn1C 295377159 DWYVZQLNWDYRPC-NSHDSACASA-N 357.252 1.559 0 50 FDAA O=C(NCCn1cc(Cl)cn1)C1CCN(C(=O)c2ccccn2)CC1 252510013 ZACNGJYUWYZJEA-UHFFFAOYSA-N 361.833 1.600 0 50 FDAA CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)Cn1cc3ccccc3n1)C2 1073330540 MLVPRMMAEQUSFX-ZBFHGGJFSA-N 355.442 1.641 0 50 FDAA Cc1ccc(OCCN)c(C(=O)NC2CCN(C3CCOCC3)CC2)c1 299761508 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1.958 0 50 FDAA COc1ncc(C(=O)N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)cn1 2356161270 NIIYQDHXRPVSPE-LJQANCHMSA-N 368.441 1.461 0 50 FDAA COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N1CCCCC1 4511479 KTVMKGQUVMZOLA-UHFFFAOYSA-N 360.863 1.982 0 50 FDAA CCN(CCCN1CCOCC1)C(=O)C(C)(C)NC(=O)c1cccs1 55036288 OHAFARANVXTXEP-UHFFFAOYSA-N 367.515 1.827 0 50 FDAA C[C@H](NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)[C@@H]1CCOC1 225418684 LCINMGIKFIUTFJ-SWLSCSKDSA-N 352.456 1.530 0 50 FDAA CC(C)(C)OC(=O)N[C@@H](c1ccccc1)c1noc(Cn2cn[nH]c2=O)n1 225565085 ZVBMVNLXEUNOFU-ZDUSSCGKSA-N 372.385 1.617 0 50 FDAA O=c1c2cc(Cl)c(Cl)cc2ncn1C[C@@H](O)CN1CCOCC1 25559473 MXNGCJPOOZSBPD-JTQLQIEISA-N 358.225 1.396 0 50 FDAA CN1CCC(N2CCN(Cc3cc(F)cc(F)c3)C[C@H]2CCO)CC1 104369550 CCRXLJCDMDEGBQ-LJQANCHMSA-N 353.457 1.928 0 50 FDAA Cc1occc1C(=O)Nc1ccc(C(=O)NCCS(C)(=O)=O)cc1 55060642 NJDNNOICTGQZCE-UHFFFAOYSA-N 350.396 1.615 0 50 FDAA Cn1nc(C(=O)O)c2c1CCN(C(=O)CN1CC[C@@H](c3ccccc3)C1)C2 67654243 ORYBUZJXJJJZTQ-OAHLLOKOSA-N 368.437 1.493 0 50 FDAA CCn1c(C)ccc(C(=O)NCc2cccnc2N2CCOCC2)c1=O 67756653 NAPUCQUDQDCBAZ-UHFFFAOYSA-N 356.426 1.338 0 50 FDAA COc1cc(C)sc1C(=O)N1CCc2c(c(C(=O)O)nn2CCO)C1 67689019 UQXJVESEPZLELB-UHFFFAOYSA-N 365.411 1.151 0 50 FDAA CNC(=O)C[C@@H]1C(=O)NCCN1Cc1c[nH]nc1-c1cc(C)ccc1C 67966743 TYMUAORDQWOLKQ-MRXNPFEDSA-N 355.442 1.130 0 50 FDAA Cc1ccc(N([C@H](C)C(=O)NC2CCN(C)CC2)S(C)(=O)=O)cc1C 65364642 CNOXGDOUWOBRGD-OAHLLOKOSA-N 367.515 1.668 0 50 FDAA COCCc1nc(CCNC(=O)Cc2c(F)cccc2Cl)cc(=O)[nH]1 67588703 DRFCWDGRUNOOGI-UHFFFAOYSA-N 367.808 1.653 0 50 FDAA CCN1CCN(Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)[C@H](C)C1=O 67773729 QMYTVAHDTQXRBA-GFCCVEGCSA-N 359.426 1.598 0 50 FDAA O=C1CCCN1CCCNc1nc(-c2cccnc2)nc2c1CCNC2 67756675 QIHQYSHCUYZINI-UHFFFAOYSA-N 352.442 1.609 0 50 FDAA COc1cccc2c1OCCCN(c1nc3c(c(=O)[nH]1)CCNCC3)C2 63856811 GKFFIQWWPCFSTH-UHFFFAOYSA-N 356.426 1.256 0 50 FDAA CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1S(=O)(=O)c1ccc(C)cc1F 67654109 SNLKMNPBLJZHHO-OCCSQVGLSA-N 357.451 1.093 0 50 FDAA 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CC(C)[C@@H](C(=O)NC[C@H]1CCn2ncc(C(N)=O)c2C1)N1CCCCC1 280808376 QBQDSDBAXZNVNI-YOEHRIQHSA-N 361.490 1.171 0 50 FDAA CN1CCc2ccc(S(=O)(=O)N[C@H]3CCO[C@@H]3c3cccnc3)cc21 328842761 VXRBSEUEVKZEIS-FUHWJXTLSA-N 359.451 1.882 0 50 FDAA O=C(O)[C@H]1CN(C(=O)/C=C/c2ccc(OCc3cccnc3)cc2)CCO1 328596401 NINTXKIIHORLQI-KRZKXXONSA-N 368.389 1.986 0 50 FDAA CCOc1ccccc1N1CCN(C(=O)[C@H]2CC(=O)N(C(C)C)C2)CC1 72410619 LESGYYKPKLLLJD-INIZCTEOSA-N 359.470 1.991 0 50 FDAA Cc1noc([C@@H]2CCN(C(=O)c3nn(-c4ccccc4)c(C)cc3=O)C2)n1 329057378 MNHOWHYERWDNAH-CQSZACIVSA-N 365.393 1.862 0 50 FDAA NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3ccccc3C(=O)O)C2)cc1 72143924 SLBZKEQHMPYTKC-CYBMUJFWSA-N 374.418 1.662 0 50 FDAA CN(C)c1nc2c(c(NCc3cc4ccc(F)cc4[nH]c3=O)n1)CCNC2 71552191 QDJXNAOXYFCVHA-UHFFFAOYSA-N 368.416 1.781 0 50 FDAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)N1CCNC(=O)C[C@@H]1C 363568679 FFVUGHSMNVQEQH-AWEZNQCLSA-N 358.442 1.973 0 50 FDAA COc1ccc(N2C[C@H](C(=O)NC[C@@H](CC(C)C)C(=O)O)CC2=O)cc1 262547652 WGBQWTBQJZQHFE-ZIAGYGMSSA-N 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VDSFJKWYSPCOMC-LBPRGKRZSA-N 362.457 1.256 0 50 FDAA CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)c1cc2c([nH]c1=O)CCC2 72432979 XZUVXWGLJUVFLW-KRWDZBQOSA-N 351.450 1.992 0 50 FDAA CCC(CC)CN1CC2(CCN(C(=O)C3(N)CCNCC3)CC2)OC1=O 77471898 MGCWSIMLYYFYII-UHFFFAOYSA-N 366.506 1.317 0 50 FDAA O=C(NCC[C@H]1CCNC1)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 262577990 KQKNOOYORRNLPM-UKRRQHHQSA-N 359.426 1.136 0 50 FDAA CC(C)NC(=O)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc2C1 77489812 YCBYERCTIFLZAD-UHFFFAOYSA-N 367.471 1.184 0 50 FDAA COc1ccc(N2CCN(C(=O)CCc3csc(N)n3)CC2=O)cc1 77523911 FMAXTUKMHWTVDP-UHFFFAOYSA-N 360.439 1.542 0 50 FDAA O=C(CN1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1ccc(F)c(Cl)c1 35804720 CDMBLXNYEGOMAL-OAHLLOKOSA-N 369.824 1.741 0 50 FDAA Cc1cnn(C2(C(=O)O)CCN(C(=O)c3cn4ccsc4n3)CC2)c1 72408755 GXDXEXXHPUODGI-UHFFFAOYSA-N 359.411 1.617 0 50 FDAA Cc1ncc2c(c1CNC(=O)c1cccc(N3CCOCC3)c1)CCNC2 72422662 SAXBOFAKOVTGRS-UHFFFAOYSA-N 366.465 1.802 0 50 FDAA C[C@H]1CN(C(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)CCN1 237592796 FIJJPGUUDADMNY-VIFPVBQESA-N 357.311 1.859 0 50 FDAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ccccn2)c1 72164918 ZYMFOAQFFKOEHV-GOSISDBHSA-N 368.437 1.097 0 50 FDAA COc1ccc(-n2cc(CNC(=O)c3cn(C(C)(C)C)nn3)nn2)cc1 239667202 BPKBEOGNXOITEB-UHFFFAOYSA-N 355.402 1.552 0 50 FDAA CC(=O)N1CCc2c(nc(-c3cccnc3)nc2N[C@@H](CO)C(C)C)C1 71746893 DIILZOFUVDOSJF-KRWDZBQOSA-N 355.442 1.872 0 50 FDAA C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 378539425 JBFRMYJMKMDNJY-KVSKMBFKSA-N 373.497 1.290 0 50 FDAA O=C(CCc1cc2n(n1)CCCNC2)N1CCC(Nc2ccccn2)CC1 72477463 JZJVDXMEYWKQPN-UHFFFAOYSA-N 368.485 1.807 0 50 FDAA Cn1ncc(N2CC[C@H](CNC(=O)c3ccc(F)cc3Cl)C2)cc1=O 77319770 CZPFYOXDUSXXOE-LLVKDONJSA-N 364.808 1.829 0 50 FDAA Cn1ncc2c(NC[C@H]3CCCN(CCO)C3)nc(-c3ccncc3)nc21 72428945 OSJPJIXEUUGTOR-CQSZACIVSA-N 367.457 1.542 0 50 FDAA CC(C)n1cc([C@@]2(O)CCCN(C(=O)c3ccc4[nH]cnc4c3)C2)nn1 284469500 ARHONGSTPFSQFX-GOSISDBHSA-N 354.414 1.859 0 50 FDAA CC(C)c1cc(C(=O)N2CCn3nc([C@@H](O)C4CC4)cc3C2)nc(N)n1 220699825 OAOAVOSGIGRWHZ-INIZCTEOSA-N 356.430 1.478 0 50 FDAA Cn1cc([C@H](NC(=O)c2ccc(Cn3ccnc3)o2)[C@H]2C[C@H](O)C2)cn1 223738669 DPIXNGMDEVXMTG-HACGYAERSA-N 355.398 1.500 0 50 FDAA CC(C)OC(=O)N1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 85533916 FRRRSMSRWNYFHC-INIZCTEOSA-N 367.490 1.567 0 50 FDAA COc1cccnc1-c1ccc(C(=O)NCCCN2CCNC(=O)C2)cc1 426514549 DIPFYXNFRWOWCD-UHFFFAOYSA-N 368.437 1.309 0 50 FDAA CN(C)[C@@H]1CCN(CC(=O)NCc2c[nH]nc2-c2ccc(Cl)cc2)C1 220267131 IETAPSBSFNOHSO-MRXNPFEDSA-N 361.877 1.982 0 50 FDAA CCC(=O)NCc1cc2n(n1)CCN(C(=O)Cn1ccc3ccccc31)C2 426726728 HHOYUWAYEKPDSH-UHFFFAOYSA-N 365.437 1.906 0 50 FDAA CC(=O)N[C@@H](C(=O)N1CCN(c2cccc(Cl)c2)C(=O)C1)C(C)C 82115147 KUNVQLWCNRAZJJ-MRXNPFEDSA-N 351.834 1.676 0 50 FDAA Cc1nnsc1CNC(=O)c1ccc2c(c1)nc(N1CC[C@H](O)C1)n2C 95391065 UJACOXKDCKOKIC-LBPRGKRZSA-N 372.454 1.234 0 50 FDAA CN1CC[C@@]2(CCC1=O)CN(C(=O)c1cc(C(F)(F)F)n[nH]1)CCN2C 95360923 YFBAVYYEIIXPBS-HNNXBMFYSA-N 373.379 1.197 0 50 FDAA O=C(CCC(=O)c1ccccc1)N[C@@H]1CCN(Cc2cscn2)C[C@H]1O 426370795 RCHIYXUTYJXRAC-SJLPKXTDSA-N 373.478 1.858 0 50 FDAA COc1ccc2cc(C(=O)N3CCN(c4ncccn4)CC3)n(C)c2c1 426388067 WLAZIRHXOKULBN-UHFFFAOYSA-N 351.410 1.939 0 50 FDAA CN(C)c1nc(N)nc(CNC(=O)c2ccc3cccc(Cl)c3n2)n1 426595105 WHLCBGGOMWBTJH-UHFFFAOYSA-N 357.805 1.651 0 50 FDAA CSCCCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCCOC2)c1 95383391 WNKWPFFNSZAJCR-AWEZNQCLSA-N 372.512 1.627 0 50 FDAA O=C(Cn1cnnn1)N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 95359881 ONGCISAFCRHOFU-FSPWUOQZSA-N 374.395 1.040 0 50 FDAA Cn1cncc1-c1ccc(C(=O)N2CCN(CCn3cncn3)CC2)cc1 426651956 DNTSKFLRFSAPFP-UHFFFAOYSA-N 365.441 1.137 0 50 FDAA COc1cccc(-c2n[nH]cc2C(=O)NCCN2CCCC[C@@H]2CO)c1 97307632 WZFNCFPFAHBDFJ-OAHLLOKOSA-N 358.442 1.662 0 50 FDAA COc1c[nH]c(CN2C[C@@H]3c4ccccc4OC[C@]3(C(=O)O)C2)cc1=O 95518679 ZHDQQMRCDNSRRY-AUUYWEPGSA-N 356.378 1.446 0 50 FDAA O=C(NCc1ccccn1)c1cccc(S(=O)(=O)NCc2ncc[nH]2)c1 95373668 MHITXDDSZKUXOV-UHFFFAOYSA-N 371.422 1.213 0 50 FDAA COCCCn1cnnc1[C@@H](C)NC(=O)c1cnc(N2CCCC2)nc1 97156124 DOBWDTXRBCOYPB-CYBMUJFWSA-N 359.434 1.196 0 50 FDAA O=C(CN1CCOCC1)N1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 91707251 VCINXLZLOKFJHK-PKOBYXMFSA-N 361.461 1.581 0 50 FDAA CCCc1nc(C)cc(N2CCC(NC[C@@H]3CCS(=O)(=O)C3)CC2)n1 95517901 SFORXCZOQNTTGQ-HNNXBMFYSA-N 366.531 1.731 0 50 FDAA Cc1nc2cc(CNC(=O)c3cccn4c(=O)[nH]nc34)ccc2n1C1CC1 293716331 VFWHSCYWUDNQAO-UHFFFAOYSA-N 362.393 1.946 0 50 FDAA O=C(NC[C@H]1COc2ccccc2C1)c1cnc(N2CCOCC2)nc1 91548602 GUWODWXTCRSBHT-AWEZNQCLSA-N 354.410 1.294 0 50 FDAA COc1cncc([C@H](NC(=O)c2cnc3ccnn3c2C)[C@H]2C[C@@H](O)C2)c1 244831480 UENZTWJAGJXKLM-UVBSCNOISA-N 367.409 1.683 0 50 FDAA C[C@@H]1C[C@H](Nc2cccc(S(=O)(=O)N3CCC(O)CC3)c2)[C@@H](C)O1 295637041 GJCWUNGNKPUKFE-XNJGSVPQSA-N 354.472 1.810 0 50 FDAA CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](C)CC)[C@H](C)CC 255963943 BBQABUDWDUKJMB-RHTUOURWSA-N 357.495 1.506 0 50 FDAA CCSc1nnc(NC(=O)CN2CCC[C@]3(C2)CN(C)C(=O)O3)s1 252482162 CZVFCZSZZDYMFM-CQSZACIVSA-N 371.488 1.505 0 50 FDAA COc1ccc([C@@H]2Cn3nnc(C(=O)NC4CCN(C)CC4)c3CO2)cc1 263618546 UHJGQMVYDNSQEY-KRWDZBQOSA-N 371.441 1.382 0 50 FDAA CCCN1C[C@H](NC(=O)N(C)Cc2nc(-c3ccccn3)no2)CC1=O 534641480 SRXFPSCENBVIMW-GFCCVEGCSA-N 358.402 1.284 0 50 FDAA CNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccccc2)C3)CC1 263618512 UDMIORJOSCRFSU-QGZVFWFLSA-N 368.437 1.753 0 50 FDAA O[C@H]1[C@H](O)[C@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1OCc1ccccc1 35636466 LEJLVYJUXVHIJN-MPRNQXESSA-N 358.390 1.764 0 50 FDAA biogenic NC(=O)[C@H]1CCCN1C(=O)Cn1ccc2c(Br)cccc21 71375550 MNWSLQNBSPVBHM-CYBMUJFWSA-N 350.216 1.880 0 50 FDAA biogenic CN(C)S(=O)(=O)Nc1cccc(NC(=O)NCC[C@@H]2CCCOC2)c1 299796691 RTJFLITWMJILOI-ZDUSSCGKSA-N 370.475 1.843 0 50 FDAA CCOCCOc1ccccc1C(=O)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 299800503 WNECIMSNPQWJDA-WMZOPIPTSA-N 372.425 1.679 0 50 FDAA Cc1ccc(-n2cnnc2)cc1NC(=O)NCCCN1CCC[C@H](O)C1 299778495 MSKBFSNQWGKPFT-INIZCTEOSA-N 358.446 1.544 0 50 FDAA Cc1csc(SCC(=O)N2CCC(c3nnc(CO)n3C)CC2)n1 299791303 CWCYKERXJZJUPS-UHFFFAOYSA-N 367.500 1.571 0 50 FDAA CCn1cc(CN2CCC3(CC2)CN(CCc2nccn2C)CCO3)cn1 823603718 LYRDEIZDMPMGNM-UHFFFAOYSA-N 372.517 1.546 0 50 FDAA O=C(N[C@H]1CCN(Cc2cscn2)C[C@@H]1O)c1cccc2c1NCCC2 1565507765 ONTPFIWBCUSLQR-IRXDYDNUSA-N 372.494 1.866 0 50 FDAA C[C@@H](C(=O)N1CCC2(CC1)C[C@@H]2N(C)Cc1nccs1)n1cncn1 275538261 DJPBEHUZAFHOOF-KBPBESRZSA-N 360.487 1.809 0 50 FDAA CN(C)c1cc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)ncn1 278626842 SZUNDTOPYZVPJG-UHFFFAOYSA-N 361.427 1.117 0 50 FDAA C[C@H](CC(=O)NCc1ccc(N2CCN(C)CC2)nc1)N1CCCCC1=O 170607886 MYFBYXZZHXTZOK-MRXNPFEDSA-N 373.501 1.241 0 50 FDAA CCc1c(C)nn(C)c1NC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1 1506415235 AEWNKWFQWQZFMO-QGZVFWFLSA-N 369.469 1.620 0 50 FDAA O=C(Cc1cccc(O)c1)N1CCCN(C(=O)C[C@@H]2CCCOC2)CC1 1529113301 DSALAPLLFMZTCK-KRWDZBQOSA-N 360.454 1.812 0 50 FDAA CC(C)C(=O)N1CCN(CCCc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 216256023 URLICMGZBKITGW-MSOLQXFVSA-N 364.511 1.585 0 50 FDAA CO[C@@H]1C[C@H](C(=O)NCCC(=O)Nc2ccc(F)cc2C)CC[C@@H]1O 1704337551 XBNQJYZMAJEKPR-UHOFOFEASA-N 352.406 1.755 0 50 FDAA COc1nc(N2CCN(c3nnc(C(F)(F)F)s3)CC2)ncc1F 1704336436 IMURUVUNEWCQRP-UHFFFAOYSA-N 364.328 1.821 0 50 FDAA O=C(O)c1cccc(OCCNc2nccc(N3CCC[C@H](O)C3)n2)c1 1704313126 GELFAAVQNQSSEE-AWEZNQCLSA-N 358.398 1.627 0 50 FDAA CCOCCC(=O)N1C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(CN(C)C)C1 1772708272 FKZHECROIWLWSR-PXNSSMCTSA-N 365.518 1.452 0 50 FDAA O=C(CN1CCOC1=O)N1CCCN(C(=O)NC2CCCCC2)CC1 1775978789 IJTOLOVYSXPOQL-UHFFFAOYSA-N 352.435 1.015 0 50 FDAA CCc1nccn1CCC(=O)N1CCCN(C(=O)c2cccn2C)CC1 1772709131 NDHHVVGKQMIYLV-UHFFFAOYSA-N 357.458 1.549 0 50 FDAA O=C(C1CCC1)N1CCCN(c2nccc(N3CCC[C@H](O)C3)n2)CC1 1772819470 UWCOSFXRXICJAR-INIZCTEOSA-N 359.474 1.277 0 50 FDAA CCN1CCN(C(=O)c2cc3c(=O)n4cc(C)ccc4nc3n2C)CC1 12421587 JULLAWZQXFKRAJ-UHFFFAOYSA-N 353.426 1.272 0 50 FDAA COc1cccc(CCNC(=O)c2cn(C[C@H]3CCCO3)nn2)c1OC 12580635 DPTABOUUOSGZPO-CQSZACIVSA-N 360.414 1.447 0 50 FDAA COc1ccc(C(=O)N2CC[C@H](n3cc(-c4nc(C)no4)nn3)C2)cc1 169778649 VCLHKRUSQSNMGF-ZDUSSCGKSA-N 354.370 1.732 0 50 FDAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)CCS(C)(=O)=O)CC2 1857710550 CSTGKNGXFDNOMJ-UHFFFAOYSA-N 361.467 1.449 0 50 FDAA CCc1nnc(N2C[C@H](C(=O)NCc3ccc4c(c3)OCO4)CC2=O)s1 1857711763 LJCMLEBTRAEULH-LLVKDONJSA-N 374.422 1.499 0 50 FDAA Cc1ncc(C(=O)N2CC[C@@]34O[C@H](c5ccccc5)CN3C(=O)C[C@@H]24)cn1 1857713038 AQOJUKOWTLQEOW-QKLQHJQFSA-N 364.405 1.700 0 50 FDAA CC1(C(=O)NC[C@H]2[C@H]3CN(c4cc[nH]c(=N)n4)C[C@]34CC[C@H]2O4)CCCC1 1857715205 GZEHMQHVJXECRB-LYKCQVCGSA-N 371.485 1.569 0 50 FDAA Cn1ccnc1CN1CCN(C(=O)C[C@H]2Oc3ccccc3N=C2O)CC1 329108979 FRIDGAODTTZHGU-MRXNPFEDSA-N 369.425 1.504 0 50 FDAA Cc1ccccc1C[C@@H](C)N(C)C(=O)C1CCN(S(N)(=O)=O)CC1 331325524 OELMHKNXNWBKIH-CQSZACIVSA-N 353.488 1.300 0 50 FDAA Cc1cc(CNC(=O)c2ccc(OCC(F)F)nc2)nc(N(C)C)n1 241171065 KDYWUFZWBNSWIZ-UHFFFAOYSA-N 351.357 1.820 0 50 FDAA COc1ccc(CCN2C(=O)O[C@H]3CN(Cc4nccn4C)C[C@H]32)cc1 248160368 XEMSBIWDDLRITH-SJORKVTESA-N 356.426 1.676 0 50 FDAA Cc1nc(CN(C)[C@H]2CCN(C(=O)Cc3noc4ccccc34)C2)no1 370302185 NUHKFIJCBIIVFC-ZDUSSCGKSA-N 355.398 1.795 0 50 FDAA O=C(O)COc1cccc(C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)c1 262225692 NPADHENRUVCCHM-KRWDZBQOSA-N 368.389 1.853 0 50 FDAA CCNC(=O)c1ccc(NC[C@@H]2CCCN2c2cc(NC)ncn2)nc1 266442533 WJJSEOZGRCECOD-AWEZNQCLSA-N 355.446 1.744 0 50 FDAA NC(=O)NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)c1 802330146 PIUJKXHRCAZWEN-CQSZACIVSA-N 353.334 1.215 0 50 FDAA Cc1nc(CCNC(=O)Cc2ccc([S@](C)=O)cc2)sc1C(=O)O 1875291857 NRLUZXDYGZIMCB-DEOSSOPVSA-N 366.464 1.789 0 50 FDAA CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)Nc2nnc3nc[nH]n23)[C@@H](F)C1 1875267857 FVCMVHFXZXVZAP-UWVGGRQHSA-N 367.385 1.376 0 50 FDAA C=CC(=O)N1CCC(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)CC1 1875371069 NZBWPTWAPIRGOB-HNNXBMFYSA-N 362.451 1.446 0 50 FDAA C=CC(=O)NCC(=O)N=[S@]1(=O)CCOc2ccc(Br)cc21 1875371926 QGNFRMVVYHORBM-NRFANRHFSA-N 373.228 1.497 0 50 FDAA NC[C@H]1C[C@@H](O)CN1c1cc(N2CCC(c3cccc(F)c3)CC2)ncn1 1875396863 GNFJDKKRBDVTDU-QZTJIDSGSA-N 371.460 1.898 0 50 FDAA O=C(Cc1cc[nH]n1)NC[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)[nH]2)C1 1875339241 YHFVNVSTOFUOLC-SECBINFHSA-N 370.240 1.866 0 50 FDAA CN=S1(=O)CCC2(CC1)CN(C(=O)CCCn1ccnc1C)CCO2 1875396090 VHNHKUAEJKRGNX-UHFFFAOYSA-N 368.503 1.461 0 50 FDAA COc1ccnc(N2C[C@@H](CNC(=O)[C@@H]3CC34CC4)OC3(CCC3)C2)n1 1875407815 ICQBYGXXCPNJKQ-KGLIPLIRSA-N 358.442 1.529 0 50 FDAA COc1ccc2[nH]ccc2c1C(=O)N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O 1875402396 FJINWNBLHOOTTN-APHBMKBZSA-N 354.410 1.943 0 50 FDAA CO[C@H]1CCCCN(CC(=O)NCCc2ccc(F)c(F)c2F)C1=O 888076381 CJGHISHPXNXAHO-ZDUSSCGKSA-N 358.360 1.790 0 50 FDAA Cc1ccc2nc(CNC(=O)CCC[C@@H]3NC[C@@H]4CNC[C@H]3C4)cn2c1 2100547828 NSDQAFCXWCSNJT-JZXOWHBKSA-N 355.486 1.627 0 50 FDAA CCC(CC)(CN1CCC(=O)N(C[C@H]2NC(=O)CC2(C)C)C1=O)OC 2325779905 OQEYLNTWXSQSHD-CYBMUJFWSA-N 353.463 1.761 0 50 FDAA CC(C)(C)c1ncc(S(=O)(=O)NC2CCN(C(=O)C3CC3)CC2)o1 2325803365 CBVFZNDSGMVTMK-UHFFFAOYSA-N 355.460 1.651 0 50 FDAA CN(C[C@H]1CCOC1)C(=O)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2F)C1 2325806897 MYRLBHBVACCHCC-OCCSQVGLSA-N 374.420 1.327 0 50 FDAA 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CN(C)CCNC(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71755096 DXKFARIFSNNIKH-LJQANCHMSA-N 373.545 1.436 0 50 FDAA Cn1c(CN2CCCC2)nnc1C1CCN(C(=O)c2cscn2)CC1 77320696 FNWFRYFBODBTOD-UHFFFAOYSA-N 360.487 1.887 0 50 FDAA O=C(Nc1nc2c(s1)COCC2)N1CCC[C@H](CN2CCOCC2)C1 172344097 NFKIVXZTYCHDPF-CYBMUJFWSA-N 366.487 1.792 0 50 FDAA O=C(NC[C@@H]1CCCN(c2ncccn2)C1)c1nc2ccccc2[nH]c1=O 215123217 VPEYQPDCYFHCBK-ZDUSSCGKSA-N 364.409 1.360 0 50 FDAA Cc1ccc(F)cc1CN1CCn2nc([C@@H](O)CS(C)(=O)=O)cc2C1 219172714 RSRDZSJPUALLOY-KRWDZBQOSA-N 367.446 1.424 0 50 FDAA Cc1cccn2c(CNC(=O)CCc3cc4n(n3)CCCNC4)cnc12 72419671 NKAWTGUTUJUDHM-UHFFFAOYSA-N 352.442 1.582 0 50 FDAA Nc1ccnc(N2CCC[C@]3(CCC(=O)N(Cc4ccccn4)C3)C2)n1 72428659 ZQONHQSFTCZOIW-IBGZPJMESA-N 352.442 1.863 0 50 FDAA Cc1nc([C@H]2CCCN(CC(=O)NC3CC3)C2)cc(N2CCOCC2)n1 72475228 VYBOERQCYQXPMV-HNNXBMFYSA-N 359.474 1.080 0 50 FDAA COc1c(C(=O)N2CCO[C@@H](C(=O)O)C2)sc(C)c1Br 263041652 VTGMIIUTMVVAKD-SSDOTTSWSA-N 364.217 1.753 0 50 FDAA COCc1csc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)n1 333134785 XJUSREZVFMHAMV-UHFFFAOYSA-N 358.445 1.638 0 50 FDAA Cc1ncccc1OC1(C(=O)O)CCN(c2ncnc3[nH]cnc23)CC1 72430713 NFIFHEGLIWFOEO-UHFFFAOYSA-N 354.370 1.559 0 50 FDAA Cn1nc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)c2ccccc21 223617396 RNDVAGJDQNBPCW-GDBMZVCRSA-N 352.394 1.935 0 50 FDAA CN(CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)C1CCNCC1 82098963 JIYBEDHGLZEVIS-UHFFFAOYSA-N 364.921 1.668 0 50 FDAA CC(=O)Nc1cccc(OCCNC(=O)N2C[C@H](C)C[C@@H](C(=O)O)C2)c1 263354888 QPSBIPJMJWGZCW-TZMCWYRMSA-N 363.414 1.776 0 50 FDAA O=C(C[C@@H]1CCS(=O)(=O)C1)N1CCCN(c2ccc(F)cc2)CC1 82161298 DGVPTNBMIMQWDA-AWEZNQCLSA-N 354.447 1.689 0 50 FDAA Cc1c(C(=O)N[C@@H](c2cnn(C)c2)[C@H]2C[C@H](O)C2)sc2nc[nH]c(=O)c12 222268497 IGDASUVMIGDASE-SUZMYJTESA-N 373.438 1.269 0 50 FDAA Cc1[nH]nc2c1CN(C(=O)NCC1(N3CCN(C)CC3)CCCCC1)CC2 426518955 KOWKVCDQVJJLCM-UHFFFAOYSA-N 374.533 1.736 0 50 FDAA Cc1nnnn1Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 426649539 HBEAUVYOQYCUHY-UHFFFAOYSA-N 351.366 1.689 0 50 FDAA CCN1CC[C@@H](CNC(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCC2)C1 220676518 DQSYFDDFUBOHAP-HNNXBMFYSA-N 364.511 1.970 0 50 FDAA CN(C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1c[nH]c(=O)cn1)c1ccccc1 82107096 VMJUGVSCHKRLDS-JSGCOSHPSA-N 373.388 1.169 0 50 FDAA CCc1noc(CN(CC)C(=O)NC[C@@H]2CC(=O)N(C(C)(C)C)C2)n1 426615359 DGJNIGRHWWYCQI-LBPRGKRZSA-N 351.451 1.811 0 50 FDAA O=C1OCC2(CCN(C(=O)[C@H]3CC(=O)N(c4cccc(F)c4)C3)CC2)O1 223886906 YVMDTQHGGCMUOH-LBPRGKRZSA-N 362.357 1.707 0 50 FDAA NCCOc1cccc(CC(=O)N2CCCC[C@@H]2CN2CCOCC2)c1 426373853 RTVDODNXLGVNSU-GOSISDBHSA-N 361.486 1.280 0 50 FDAA Cc1nccn1Cc1nnc([C@@H]2CCCN(C(=O)N3CCCC3)C2)n1C 95358398 QDRCBQXSGGQABB-OAHLLOKOSA-N 357.462 1.764 0 50 FDAA CC(C)c1ccc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)c(=O)n1C 92066615 SOECCXDFXKYHRO-MRXNPFEDSA-N 361.486 1.836 0 50 FDAA C[C@@H](C(=O)NCc1nc(C(F)(F)F)n[nH]1)n1c(=O)oc2ccccc21 426531835 RTQXETPCOPNZAO-ZETCQYMHSA-N 355.276 1.609 0 50 FDAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)Cc2cc(C)no2)CN1Cc1ccccc1 91636838 ULJCMXMWAOFOOH-AEFFLSMTSA-N 370.453 1.421 0 50 FDAA O=C(CN1CCN(c2ncccn2)CC1)N[C@H]1COC2(CCCCC2)C1 426662551 WWLIVDWCUZAMIW-MRXNPFEDSA-N 359.474 1.207 0 50 FDAA O=C1NC(=O)[C@@H](Cc2nc(-c3ccccc3)nn2CCc2ccccc2)N1 95370612 CKSAIBZZHMOERY-MRXNPFEDSA-N 361.405 1.938 0 50 FDAA CCCc1nnc(N2CCO[C@@H](Cc3noc(-c4ccccn4)n3)C2)o1 95365510 BPNTUDRYAAAVPI-LBPRGKRZSA-N 356.386 1.915 0 50 FDAA C[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCN2CCNC2=O)C1 91679252 CAEXGCIOVDRYAQ-LJQANCHMSA-N 359.426 1.612 0 50 FDAA COCCCN1CCN(C(=O)Nc2cc(NC(C)=O)ccc2OC)CC1 95512005 AIQIQNQVSUSXEH-UHFFFAOYSA-N 364.446 1.840 0 50 FDAA OCCN=c1[nH]c([C@H]2CCOC2)cc(=NCc2ccc(F)cc2Cl)[nH]1 426545494 VSBJTLDAKIIRKT-LBPRGKRZSA-N 366.824 1.633 0 50 FDAA COc1ccc(F)c([C@@H](C(=O)O)N2CCN(CC(=O)NC(C)C)CC2)c1 95373151 JHMIGJXSRUEOTG-KRWDZBQOSA-N 367.421 1.102 0 50 FDAA CCOc1ccccc1NC(=O)COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3C[C@H]1C[C@@H]32 239046287 FMQXWRIEQOZIQH-WPLQJJCUSA-N 359.378 1.765 0 50 FDAA COc1ccccc1CCNC(=O)c1ccc(N2CC(=O)NC2=O)cc1 92045562 UVBDEUFRIJTVSZ-UHFFFAOYSA-N 353.378 1.724 0 50 FDAA CNc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)ccn1 91858629 DOXQIFOCITXPBD-DZGCQCFKSA-N 371.466 1.843 0 50 FDAA CCC[C@H](N)C(=O)N1CCC2(CCC(=O)N(CCc3ccncc3)C2)CC1 91269946 NSUWACYMHKHPCT-SFHVURJKSA-N 372.513 1.983 0 50 FDAA NC(=O)Cn1ccnc1C1CCN(C(=O)c2ccc3c(c2)CCO3)CC1 96148050 RCLUNUUHVJLAFU-UHFFFAOYSA-N 354.410 1.323 0 50 FDAA Cc1ccc(C(=O)NCc2cc3n(n2)CCCN(C(=O)N(C)C)C3)c(O)c1 91435352 YJBQGYFVPJFDJA-UHFFFAOYSA-N 371.441 1.714 0 50 FDAA CC(C)N1C(=O)N[C@@H]2CN(C(=O)COc3ccc(F)cc3F)CC[C@@H]21 299744563 PDRPWGSWGJJMAP-KGLIPLIRSA-N 353.369 1.747 0 50 FDAA O=C(NCc1ccc2cncn2c1)N1CCC[C@@H](CN2CCOCC2)C1 297609203 SQVLKTHFABYQSP-KRWDZBQOSA-N 357.458 1.588 0 50 FDAA O=C(NCC1(Cn2ccnc2)CC1)N1CCOc2ccc(CO)cc2C1 534630360 FKWTWEFBSWLGJD-UHFFFAOYSA-N 356.426 1.760 0 50 FDAA COc1cccc(C(=O)N2CCN(C(=O)CCc3cnccn3)CC2)c1 280906833 OTBHRIQXSVBOAR-UHFFFAOYSA-N 354.410 1.402 0 50 FDAA COc1cccc(CN2CCN(C(=O)[C@@H](N)C(C)(C)SC)CC2=O)c1 1940194726 JVGNKIJIOPOYOT-MRXNPFEDSA-N 365.499 1.335 0 50 FDAA O=C(CCc1nc2ccccc2nc1O)N1CCc2ncnc(O)c2CC1 299785310 XIYSYKCUULSIAM-UHFFFAOYSA-N 365.393 1.391 0 50 FDAA CCCN1C[C@@H](NC(=O)Nc2ccc3c(c2)C(=O)N(C2CC2)C3=O)CC1=O 299778575 QFLMHGCQSAFEAR-LBPRGKRZSA-N 370.409 1.577 0 50 FDAA COc1ccc2nc(CNC(=O)c3cc(=O)n(-c4ccccc4)[nH]3)[nH]c2c1 824757735 ARTHBQJQAUEMIC-UHFFFAOYSA-N 363.377 1.981 0 50 FDAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)N(C)CCc1nc2cccc(C)c2[nH]1 584888390 HAIRMAGTFFZRNK-HOTGVXAUSA-N 359.474 1.774 0 50 FDAA COCCCN1CC[C@@H](CNC(=O)c2ccc(-c3nc(C)nn3C)cc2)C1 584895065 CYIBIMLHEHMXFQ-INIZCTEOSA-N 371.485 1.879 0 50 FDAA NC(=O)Cc1nc(-c2cnn(Cc3ccccc3)c2)n(CC(F)(F)F)n1 670463408 AFLHLRIBHSYIHN-UHFFFAOYSA-N 364.331 1.780 0 50 FDAA COCC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(C(C)=O)C2)cc1OC 952968479 CFQOCWSSXRAQCX-CYBMUJFWSA-N 363.414 1.477 0 50 FDAA O=S(=O)(N1CCCC1)N1C[C@@H]2CC[C@H]1CN(Cc1cccnc1)C2 1565505832 NHZJPHNKYABUEP-SJORKVTESA-N 350.488 1.318 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2c(F)ccc(Cl)c2F)CN1C 91818456 MZHCJOWTTAHMJB-ZANVPECISA-N 359.804 1.486 0 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91526500 VQHBBJRADRLYPX-UHFFFAOYSA-N 355.442 1.327 0 50 FDAA Cc1nc2ccccc2n1CC(=O)N[C@H]1C[C@@H](c2nnc(CO)n2C)C1 240499974 NPXVIOHCMGYHNK-BETUJISGSA-N 354.414 1.028 0 50 FDAA CN(C)[C@H](CNC(=O)c1cn([C@H]2CC[C@@H](N)CC2)nn1)c1ccccn1 252668218 DYWMKVFPIYBTDG-JKIFEVAISA-N 357.462 1.148 0 50 FDAA Cn1ccnc1CN(C(=O)C[C@@H](N)c1ccccc1)[C@H]1CC12CCNCC2 296199489 OIVISWLRGBEXKD-MSOLQXFVSA-N 367.497 1.981 0 50 FDAA Cc1cc(C)n(-c2ccc(NC(=O)N3CCO[C@]4(CCOC4)C3)cn2)n1 184578274 UEKRWTILMWCNNA-GOSISDBHSA-N 357.414 1.907 0 50 FDAA O=C(NCCCNc1cccnc1)N1CCN([C@@H]2CN3CCC2CC3)CC1 534632061 OFTBHVRUKHJWLF-LJQANCHMSA-N 372.517 1.305 0 50 FDAA COc1ccc([C@H]2Cn3nnc(C(=O)NC4CCN(C)CC4)c3CO2)cc1 263618547 UHJGQMVYDNSQEY-QGZVFWFLSA-N 371.441 1.382 0 50 FDAA O=C(c1cccc(-c2nnc3ccccn23)c1)N1CCN(CCO)CC1 534660396 UUUPIHIXMFIBQX-UHFFFAOYSA-N 351.410 1.146 0 50 FDAA CN(C)CCCN(C)C(=O)c1c(OCc2ccccc2)c(=O)ccn1C 1940195706 GWPHJRSHQAKQSQ-UHFFFAOYSA-N 357.454 1.988 0 50 FDAA Cc1cccc(CN2CCN(C(=O)CSc3nnc(C)o3)CC2=O)c1 299792306 DXMZUUOPCDOOJU-UHFFFAOYSA-N 360.439 1.650 0 50 FDAA CCSc1ccc(NC(=O)N2CCN(C[C@H](O)CN(C)C)CC2)cc1 299785000 QZYQAFPAFRTYOI-MRXNPFEDSA-N 366.531 1.871 0 50 FDAA Cc1nn(CCNS(=O)(=O)c2cccc3nsnc23)c(C)c1C 825290579 ZLSUQGINVSISLL-UHFFFAOYSA-N 351.457 1.792 0 50 FDAA COC[C@H]1CCCN1S(=O)(=O)NCCC(=O)Nc1ccccc1C 670452717 ZPOGZSFCCFWUGO-CQSZACIVSA-N 355.460 1.269 0 50 FDAA Cc1nc(O)nc(O)c1CC(=O)N[C@@H]1CCCN(Cc2cccs2)C1 670457723 OPYLUQXHRSMRHA-GFCCVEGCSA-N 362.455 1.581 0 50 FDAA COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CC[C@](O)(C(F)(F)F)C1 408315216 FZDVRGPCFDXBGR-JFGNBEQYSA-N 359.366 1.047 0 50 FDAA Cc1cccc(OCC(=O)N[C@H]2CCN(Cc3cccnc3)C[C@@H]2O)c1C 1565507647 RLYRQMYFXHHYPH-OALUTQOASA-N 369.465 1.829 0 50 FDAA Cc1ncccc1C(=O)N[C@H]1CCOC[C@@H]1Oc1ccc(C(N)=O)cc1 1565516729 XMEFSIAQGUOYBW-IRXDYDNUSA-N 355.394 1.455 0 50 FDAA CCNC(=O)[C@@H]1CC[C@](C)(C(=O)NC2CCS(=O)(=O)CC2)C1(C)C 1565517201 CPVCDCNCEWFMOQ-SUMWQHHRSA-N 358.504 1.258 0 50 FDAA COC[C@H]1[C@@H](NC(=O)c2cnc(-c3cccnc3)nc2C)[C@H]2CCO[C@H]21 1565514258 XVPVONFVZIUDKL-BSWAZPDLSA-N 354.410 1.627 0 50 FDAA CCn1ccnc1[C@H]1OCC[C@@H]1NCc1cnc(N2CCN(C)CC2)nc1 275509429 KEPFNKHXDYXPEM-IRXDYDNUSA-N 371.489 1.065 0 50 FDAA COc1cc2c(cc1OC)CN(C(=O)NCc1ccc(C)n(C)c1=O)CC2 279098563 UPOIYPWQSBHNNQ-UHFFFAOYSA-N 371.437 1.979 0 50 FDAA COCCOc1ccc(NC(=O)N2CCS(=O)(=O)CC[C@H]2C)cn1 170616509 KCWXTYNSRLAAPG-GFCCVEGCSA-N 357.432 1.148 0 50 FDAA O=C(O)CCCCN1C(=O)C[C@H](N2CCc3c(F)cc(F)cc3C2)C1=O 170669090 DMVZYAAQDGNARS-HNNXBMFYSA-N 366.364 1.705 0 50 FDAA Cc1cc(NC(=O)CN2CCOC[C@]23CCOC3)n(-c2ccc(F)cc2)n1 193732404 PKLPIMPKSODJRC-LJQANCHMSA-N 374.416 1.750 0 50 FDAA Cc1ccc(N2C(=O)[C@H](C)N(Cc3ccccc3)C2=O)cc1S(N)(=O)=O 771828901 SKGMSYYAKHQSKV-ZDUSSCGKSA-N 373.434 2.000 0 50 FDAA COc1ccccc1-c1c(C)nn(C)c1NC(=O)[C@H](C)N1CCN(C)CC1 1529114665 RVBSYUMFGGTFPU-HNNXBMFYSA-N 371.485 1.979 0 50 FDAA Cc1ccc(OCC(=O)N[C@]2(C)CCOC3(CCNCC3)[C@H]2O)cc1C 1704297318 MGFHBMDBYOSNHR-RBUKOAKNSA-N 362.470 1.461 0 50 FDAA CCc1nc2ccccc2n1CCC(=O)N1C[C@H]2COC[C@@H](C1)C(=O)N2C 1704307478 HAMGHCOMFMKYPH-CABCVRRESA-N 370.453 1.304 0 50 FDAA CO[C@H]1CN(C(=O)c2nnc3nc(C)ccn23)C[C@H]1Cc1cc(C)no1 1704341502 VARPDHPXMKIKRR-OCCSQVGLSA-N 356.386 1.059 0 50 FDAA CN(C)C(=O)N1CCN(Cc2ccc(Cl)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 213089961 NDUUOHUIJYQYNF-CABCVRRESA-N 371.890 1.305 0 50 FDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CCCc1ccc(F)cc1 1704334360 ICNDHEFRENBJND-GOEBONIOSA-N 372.462 1.171 0 50 FDAA CNc1ncc(C(=O)N2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)cn1 1704341206 RCIZTOCXIHTVMJ-RDTXWAMCSA-N 363.421 1.742 0 50 FDAA Cc1ccc(-c2nnc(CN3C[C@@H](O)[C@H](Cc4ccccn4)C3)o2)n1C 1704297442 RZXBSKJOTQQYGW-RHSMWYFYSA-N 353.426 1.814 0 50 FDAA COc1ccc(C[C@@H]2CN(S(=O)(=O)CC(F)(F)F)CCO2)cc1 12073629 PIAHMEGRBKAGTI-CYBMUJFWSA-N 353.362 1.831 0 50 FDAA COCCS(=O)(=O)c1ncc(CN2CCCC2)n1Cc1ccccc1 12433946 ZPFUVMHBLCCPAX-UHFFFAOYSA-N 363.483 1.947 0 50 FDAA CC(C)[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)N[C@@H](C)c3ccccc3)CN2C1=O 14542843 NXUOZNFOQDFMJH-QCEMKRCNSA-N 358.442 1.171 0 50 FDAA Cc1nnc(CCNC(=O)[C@]23COC[C@H]2CN(Cc2ccoc2)C3)s1 1857681686 CBIKBESCLAOAJY-RHSMWYFYSA-N 362.455 1.247 0 50 FDAA CC(=O)NCCC(=O)N[C@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857722586 ZCLPSYAFCSUMIP-YESZJQIVSA-N 365.861 1.497 0 50 FDAA Cc1ccc(NC(=O)N2C[C@H]3[C@H](N(C)C)CS(=O)(=O)[C@H]3C2)cc1Cl 1857730336 NAHVZEPFNRYMLB-CFVMTHIKSA-N 371.890 1.839 0 50 FDAA O=C(NCCCNC(=O)c1ccc[nH]c1=O)c1cc(-c2ccccc2)on1 201713838 NNNDNXLMQAPQQQ-UHFFFAOYSA-N 366.377 1.580 0 50 FDAA in-vitro O[C@H]1CN(Cc2cccnc2)CC[C@@H]1N1CCN(c2ccccc2F)CC1 207471421 USDSWNUVRJRUQM-SFTDATJTSA-N 370.472 1.978 0 50 FDAA CNc1ncc(C(=O)N2C[C@H](c3ccc4c(c3)OCO4)[C@@H](C(=O)O)C2)cn1 216408723 JYMQWNQOZAIZQU-OLZOCXBDSA-N 370.365 1.187 0 50 FDAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(Cc1nc3ccccc3n1C)C2 216447322 KBBMGCUBBMHTDM-CABCVRRESA-N 369.469 1.084 0 50 FDAA COc1cc2c(cc1OC)CN([C@H]1CCN(c3cnn(C)c3)C1=O)CC2 111192614 NDGYUVCBSXBZJK-INIZCTEOSA-N 356.426 1.601 0 50 FDAA Cc1nn(C)c(C)c1[C@H]1[C@H](NCc2nc(C(C)(C)C)no2)CC(=O)N1C 328628549 NVNXFYUMGYFOCM-MLGOLLRUSA-N 360.462 1.779 0 50 FDAA CCN(C(=O)COc1cccc2c1N=C(O)CO2)[C@@H]1CCS(=O)(=O)C1 329333353 XAQNMSZXIFETDN-LLVKDONJSA-N 368.411 1.081 0 50 FDAA CSc1nccc(N2C[C@@H]3OC(=O)N(CCN4CCCCC4)[C@@H]3C2)n1 247515552 JSIWKMLBALATIY-KGLIPLIRSA-N 363.487 1.694 0 50 FDAA C[C@H](Oc1cccc(CO)c1)C(=O)N1CCC(Nc2cccnn2)CC1 365045586 KFQWPCKXNJQNGH-AWEZNQCLSA-N 356.426 1.839 0 50 FDAA Cc1cc2ncc(C(=O)N3CC[C@@](C(=O)O)(C(F)(F)F)C3)c(C)n2n1 261623715 GLXAAIVAXBKQPY-CQSZACIVSA-N 356.304 1.825 0 50 FDAA Cc1nc([C@@H]2C[C@@H](O)[C@@H](CNC(=O)Cc3ccc(F)cc3F)C2)n[nH]1 857346222 QGKFRIVCDJNQPC-YWPYICTPSA-N 350.369 1.605 0 50 FDAA CCN(CC1CC1)C(=O)C[C@@H]1CN(C(=O)[C@@H]2CC2(C)C)CCS1(=O)=O 952882461 RDNMIZUHQPQNOI-CABCVRRESA-N 370.515 1.307 0 50 FDAA Cc1nc([C@@H]2CCO[C@@H]2CN(C)C(=O)Cc2c(C)noc2Cl)n[nH]1 952889288 XBAGNBZDTJIBSG-ZYHUDNBSSA-N 353.810 1.637 0 50 FDAA CC(C)c1nc([C@H]2CN(C(=O)Cn3cccnc3=O)C[C@@H]2C2CC2)n[nH]1 952848387 LUMUUMHUHYTLJD-KGLIPLIRSA-N 356.430 1.137 0 50 FDAA O=C(c1ccc(F)cc1F)N1CCCN(S(=O)(=O)c2cc[nH]n2)CC1 1875317534 BBGUFGVIYMGVMA-UHFFFAOYSA-N 370.381 1.225 0 50 FDAA CC(C)n1nccc1[C@H]1NC(=O)CC[C@H]1NC(=O)c1cc(CN)cs1 1875362773 SBICEGXABDQBFO-WBMJQRKESA-N 361.471 1.734 0 50 FDAA C[C@@H](CNC(=O)[C@@H](C)n1cccc1)NC(=O)c1ccc2c(c1)CCN2C 1875359138 VUBLJOFUQNXKBO-LSDHHAIUSA-N 354.454 1.976 0 50 FDAA CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@]2(C)c2ccccc2)Cc2nccn2C1 1875406998 QOGPTVBTPMLYAW-SQGPQFPESA-N 352.438 1.708 0 50 FDAA CCn1c(=O)c(=N[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)[nH]c2ccccc21 2325785680 ITERVAISWKIKOQ-FRFSOERESA-N 353.426 1.286 0 50 FDAA CCN(CCNC(=O)C[C@@H]1CCC(=O)N1C)C(=O)c1ccn(CC)c1C 2325794620 KLRQDVQRVGJTAF-HNNXBMFYSA-N 362.474 1.406 0 50 FDAA CCN(CCc1nccs1)C(=O)CCn1[nH]c(=O)c2ccccc2c1=O 131865464 ZJIDUPSCBHWHLR-UHFFFAOYSA-N 372.450 1.628 0 50 FDAA CCN(CC)CCNc1nc2nonc2nc1NCCN(CC)CC 870036 PIOAXDAFHJQLCD-UHFFFAOYSA-N 350.471 1.520 0 50 FDAA COC(=O)C[C@H]1C(=O)NCCN1C(=O)Nc1ccc(Cl)c(Cl)c1 1121828 LRMKFLBLUMTFML-NSHDSACASA-N 360.197 1.889 0 50 FDAA C[C@H](NC(=O)COC(=O)CN1C(=O)C(=O)c2ccccc21)c1ccccc1 2745929 KILQTEORRQRPKR-ZDUSSCGKSA-N 366.373 1.637 0 50 FDAA C[C@H]1CO[C@H](C)CN1S(=O)(=O)N1C[C@H](CO)[C@H](c2ccsc2)C1 249436889 ITGVKRZBGUIESH-MXYBEHONSA-N 360.501 1.110 0 50 FDAA COc1cc([C@@H]2[C@@H]3[C@@H](C)N(C)C(=O)N(C)[C@@H]3N(C)C(=O)N2C)ccc1O 4029454 DBLJYIVEHBFBMD-CXOGBFNASA-N 362.430 1.767 0 50 FDAA biogenic O=C(COc1cccc(NC(=O)C(F)(F)C(F)F)c1)N1CCOCC1 4841644 ORRZQHXOPFXNHH-UHFFFAOYSA-N 364.295 1.763 0 50 FDAA Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCN1CCC[C@H](C)C1 10233894 BFGNWXNUWDBKAR-NSHDSACASA-N 358.446 1.025 0 50 FDAA C[C@@H](Cc1cnccn1)NC(=O)CC(=O)NC12CC3CC(CC(C3)C1)C2 55224626 LTKHUMPXHCXVPW-IVKJLDKCSA-N 356.470 1.999 0 50 FDAA COCCN1CC(=O)N(CCS(=O)(=O)c2ccc(Cl)cc2)C1=O 225556308 CDKQTHSEJPSNMQ-UHFFFAOYSA-N 360.819 1.024 0 50 FDAA CCOC(=O)[C@H](COC)N(C(=O)COc1ccc(C)cc1OC)C1CC1 225562973 VFTSXHPNZCBMOL-HNNXBMFYSA-N 365.426 1.952 0 50 FDAA O=C(OCc1ccccc1)C1=NN[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]12 101371423 AWASKKUIVHRAEB-LSDHHAIUSA-N 355.394 1.375 0 50 FDAA CCc1ccccc1NC(=O)C(=O)N1CCN(C)C2(CCN(C)CC2)C1 67605017 MYNXJKUKYQYQHQ-UHFFFAOYSA-N 358.486 1.426 0 50 FDAA Cc1cc(N2CCN(C(=O)C3(N4CCCC4)CCCC3)CC2)nc(N)n1 65470355 COYNFESPNKBQKF-UHFFFAOYSA-N 358.490 1.424 0 50 FDAA C[C@@H](C(=O)N(C)C)N(C)Cc1cccc(C(=O)Nc2ccc[nH]c2=O)c1 67489992 XFNBQIVRTOBTHI-ZDUSSCGKSA-N 356.426 1.536 0 50 FDAA CC1=C(C(=O)NCCc2csc(-c3ncccn3)n2)[C@H](C)NC(=O)N1 67688861 WDBBDFHNQMRFNM-VIFPVBQESA-N 358.427 1.234 0 50 FDAA CN(Cc1cnc(N)nc1)C(=O)c1cc(COc2cccc(F)c2)[nH]n1 67935120 DVOBNHVPLPFREP-UHFFFAOYSA-N 356.361 1.772 0 50 FDAA Cc1nn(C)c(S(=O)(=O)N2CCC[C@H](C)[C@H]2C(=O)O)c1C(F)F 424374434 ZBENMRIACIXFCT-XVKPBYJWSA-N 351.375 1.540 0 50 FDAA CCOC(=O)C(Cc1ccc(C(=O)OC)cc1)(NC(C)=O)C(=O)OCC 3128121 QQRDRVFHXKXWTE-UHFFFAOYSA-N 365.382 1.017 0 50 FDAA COc1ccccc1C(=O)NCC(=O)N1CCC[C@H](N2CCCC2)CC1 150721524 UJSCVVWIGAOMMN-INIZCTEOSA-N 359.470 1.902 0 50 FDAA 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350.382 1.654 0 50 FDAA COCCCn1cnnc1CNC(=O)[C@@H](C)Oc1ccc(F)cc1F 824396638 ZGKAVBAIAURVLC-LLVKDONJSA-N 354.357 1.677 0 50 FDAA CCCN(C/C=C/c1ccccc1)C(=O)N[C@@H]1C[C@H]2C(=O)NCC(=O)N2C1 584893399 ARCITXKOAQPWLW-BRBWODKKSA-N 370.453 1.221 0 50 FDAA COc1cccc(N2C[C@@H](NC(=O)N(C)Cc3ncc(C)[nH]3)CC2=O)c1 584897059 GPAUZLJLIPZMJB-ZDUSSCGKSA-N 357.414 1.674 0 50 FDAA CNC(=O)c1cc(S(=O)(=O)NCc2cn3ccc(C)cc3n2)cs1 670448727 JBXQIXNVBILLOF-UHFFFAOYSA-N 364.452 1.542 0 50 FDAA COC[C@H]1[C@H](NC(=O)c2cnc(CN3CCCC3)s2)[C@H]2CCO[C@H]21 1074588415 SCDIOAWAJQLVQQ-NOXHYTERSA-N 351.472 1.519 0 50 FDAA O=C(N[C@@H](CCn1cncn1)c1ccccc1)c1cnc2ccccn2c1=O 952969166 SGXVFOMAMWLBMO-KRWDZBQOSA-N 374.404 1.847 0 50 FDAA CC(C)CN1CCN(C(=O)c2cnc(-c3ccccn3)nc2)C[C@H]1CCO 952962263 BNCJLDDPNDFYCC-QGZVFWFLSA-N 369.469 1.703 0 50 FDAA O=C(CCCOc1ccccc1)N1CC[C@H](Nc2ncccn2)[C@@H](O)C1 1565527122 RRXOJJPBQGUPKF-IRXDYDNUSA-N 356.426 1.710 0 50 FDAA Cn1c(CN2CC[C@H](NC(=O)c3ccccn3)[C@@H](O)C2)nc2ccccc21 1565515932 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PINMHYVFZKNKQQ-INIZCTEOSA-N 361.423 1.315 0 50 FDAA COCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C(=O)OC)cc2)n1 18254415 WVMPJGHPQCZXCW-UHFFFAOYSA-N 363.395 1.434 0 50 FDAA O=C(CCc1nc2ccc(F)cc2[nH]1)N1C[C@@H]2CCOC[C@]2(C(=O)O)C1 1857669539 MJNLNEMWHNQFTF-BBATYDOGSA-N 361.373 1.584 0 50 FDAA COc1cc(N2CCC[C@]3(CCc4c(O)nc(C5CC5)nc43)C2)[nH]c(=N)n1 1857695398 IFFFSGYOJADJER-IBGZPJMESA-N 368.441 1.755 0 50 FDAA COc1ccc(-n2ccnc2CN2CCC3(CC2)CNC(=O)CCO3)cc1 1857709104 FTRQPDWRHLCNPQ-UHFFFAOYSA-N 370.453 1.752 0 50 FDAA CCCn1cc(C(=O)N2CCC3(CCc4c(O)nc(=N)[nH]c43)CC2)c(C)n1 1857716266 FBVDIXFEDQPKPA-UHFFFAOYSA-N 370.457 1.630 0 50 FDAA CCCc1nnc(N2C[C@@H](C(=O)N3CCc4nc(C)[nH]c4C3)CC2=O)s1 1857724513 ZICMTJYTGNKVKB-NSHDSACASA-N 374.470 1.460 0 50 FDAA O=C(c1c[nH]nc1-c1cccc(F)c1)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857726998 HNNQPERVGNHOGA-BEFAXECRSA-N 370.384 1.779 0 50 FDAA Cc1ocnc1C(=O)N1CCc2nc(C(=O)N[C@H]3C=CCCC3)cn2CC1 1875246451 HRWZMADXJBKAAE-AWEZNQCLSA-N 369.425 1.717 0 50 FDAA O=C(O)[C@H]1CN(C(=O)c2ccccc2-c2ncn[nH]2)C[C@@H]1c1cccnc1 222526091 WKBCKXFSQCBMJC-CVEARBPZSA-N 363.377 1.807 0 50 FDAA Cc1noc([C@@]2(C(F)(F)F)CCN(C(=O)COCc3nccn3C)C2)n1 952894378 NYADVIWASDCXLH-CQSZACIVSA-N 373.335 1.361 0 50 FDAA Cc1nc(C)c([C@H](C)N(C)c2ncnc3c2ncn3C(CO)CO)s1 1875269160 KCTGSCFPWWDXML-JTQLQIEISA-N 362.459 1.623 0 50 FDAA CC(C)Cc1cnc(NC(=O)NCCCCn2cc(C(N)=O)nn2)s1 1875266166 GPAVYZFQJNYBES-UHFFFAOYSA-N 365.463 1.634 0 50 FDAA CCn1nc2c(c1C(=O)NCc1ccc(C)n(C)c1=O)C[C@H](C)O[C@@H]2C 1875314293 QIZQRGUOHWTFNJ-QWHCGFSZSA-N 358.442 1.862 0 50 FDAA Cn1cc(C[N@]2C[C@@H]2COc2ccc(NC(=O)c3cnn(C)c3)cc2)cn1 1875384309 DUVKVNYTSFVNQR-CRICUBBOSA-N 366.425 1.669 0 50 FDAA Cc1cc(C(=O)N2CC3(C2)[C@@H](C(=O)O)CCS3(=O)=O)c(C)cc1Cl 1875393386 MARAEDPEFMECJY-GFCCVEGCSA-N 371.842 1.671 0 50 FDAA O=C(Cc1c[nH]c2cccnc12)N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O 1875403322 STWUPJSCEMGDIF-HFBAOOFYSA-N 373.844 1.911 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1c[nH]cc1Br 1875402774 LCZLTZQEILPQHR-OASPWFOLSA-N 353.220 1.543 0 50 FDAA Cn1ncc2cc(CC(=O)N[C@@H]3C[C@@H](Cn4ccnc4)C[C@H]3O)ccc21 1875402239 CTAGPXONMPTAQN-QGPMSJSTSA-N 353.426 1.268 0 50 FDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3cccnc3-n3ccnc3)nn(C)c21 1875401600 MGIVUEAHYIXEDY-OLZOCXBDSA-N 366.425 1.953 0 50 FDAA COCc1cccc(S(=O)(=O)N2C[C@@H](N)CC[C@@H]2C(F)(F)F)c1 886062987 PJNIZPSJXHPWRA-WCQYABFASA-N 352.378 1.876 0 50 FDAA CCN1C(=O)C[C@@H](CNCc2cnccc2N(C)C)[C@@H]1c1nccn1C 886038189 IIHHTIQSHXMPBJ-KBXCAEBGSA-N 356.474 1.580 0 50 FDAA CC(=O)NCc1cc(O[C@H]2CCN(Cc3c(C)nn(C)c3C)C2)ccn1 886056876 DKWCYUZHSYXYCW-SFHVURJKSA-N 357.458 1.721 0 50 FDAA CN1C(=O)CC[C@@H](NCc2ccc3c(c2)OCCO3)[C@@H]1c1nccn1C 886079351 IIMCUFSQFCRSFE-RDTXWAMCSA-N 356.426 1.643 0 50 FDAA Cn1nnc2c1CC[C@H](NC(=O)NCc1cccc(-n3ccnc3)c1)C2 888093998 UETXOCWEABZUHI-AWEZNQCLSA-N 351.414 1.358 0 50 FDAA COC(=O)[C@@H]1CCCN1C(=O)c1ccc2nnc(-c3cccn3C)n2c1 2100483718 JIQGYTOMSSWWPU-AWEZNQCLSA-N 353.382 1.512 0 50 FDAA CC(C)(C)CN1CCNC(=O)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 13636757 CKPNKRDQQZMWSY-GOSISDBHSA-N 372.513 1.572 0 50 FDAA CC1(C)CN(C(=O)CS(=O)(=O)Cc2conc2C(F)(F)F)CCO1 2325799175 ZRDZOUIVKRFGBZ-UHFFFAOYSA-N 370.349 1.246 0 50 FDAA C[C@H](NC(=O)[C@H](N)C1(O)CCC1)[C@H](O)c1ccc(Br)cc1 2325801286 APPILTKHUVNYQL-XDTLVQLUSA-N 357.248 1.230 0 50 FDAA CO[C@@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@H]1NC(=O)[C@@H]1[C@H]2COC[C@H]21 945426271 PVTSHBCXYMUDDL-KHMAMNHCSA-N 364.486 1.293 0 50 FDAA CC(C)N1CC[C@@H](NC(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)C1=O 114785740 PCDCTYCQKBOUBA-BLLLJJGKSA-N 358.442 1.941 0 50 FDAA CS(=O)(=O)N(CC[C@@H]1COCCO1)c1cccc(N2CCCC2=O)c1 2356136816 KYGANVJOQFNSJV-MRXNPFEDSA-N 368.455 1.385 0 50 FDAA O=C(N[C@@H]1C[C@H](C(=O)NCc2cccc(Cl)c2)C[C@H]1O)c1cn[nH]c1 2356142501 VERUBOJRPHCEFX-NILFDRSVSA-N 362.817 1.249 0 50 FDAA O=C(CCc1cc(Cl)no1)N1CCc2nc(-c3cccnc3)nn2CC1 2356151938 ICSHCOUCDMXXLP-UHFFFAOYSA-N 372.816 1.999 0 50 FDAA O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)[C@@H]1COc2ccccc2O1 4185202 WNGLGUVSEILKBU-SFHVURJKSA-N 368.389 1.938 0 50 FDAA COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccccc3)cc2N)cc1 6441556 FQICFDBMQBCJDT-UHFFFAOYSA-N 373.390 1.930 0 50 FDAA C/C=C/Cn1c(=O)c2c(nc3n2CC(C)=NN3CCC(C)C)n(C)c1=O 10336877 ATAWAGNHDJJLOE-VOTSOKGWSA-N 358.446 1.715 0 50 FDAA Cc1ccn2ncc(C(=O)N(C)C3CCN(CCn4cccn4)CC3)c2n1 114333025 FNZRDSJTSMDYGC-UHFFFAOYSA-N 367.457 1.471 0 50 FDAA CCc1nnsc1C(=O)N1CCC[C@@H](N(CC(=O)O)C(C)=O)CC1 461487691 KEVRONCONIJGBZ-LLVKDONJSA-N 354.432 1.028 0 50 FDAA O=C(c1ccc(N2CC[C@H](CO)C2)nc1)N1CCC(Cn2cccn2)CC1 67559407 DRQHPPMTENPRRW-KRWDZBQOSA-N 369.469 1.649 0 50 FDAA CN1CCN(C2CCN(Cc3ccccc3)CC2)C[C@@]12CCNC(=O)CC2 107400136 QJAAVLWPRHXFBZ-JOCHJYFZSA-N 370.541 1.937 0 50 FDAA O=C(Cn1nc(N2CCSCC2)ccc1=O)NCCc1ccccc1 67631258 FFJGTPAZISYRTM-UHFFFAOYSA-N 358.467 1.155 0 50 FDAA COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc(CN(C)Cc2ccccc2)on1 67847759 MDYWZPWEVMOSTG-PBHICJAKSA-N 373.409 1.055 0 50 FDAA O=C1CCCN1C[C@H](c1cccc(C(F)(F)F)c1)N1C(=O)CNC1=O 348837245 BPDTVDVWHABOPE-GFCCVEGCSA-N 355.316 1.921 0 50 FDAA Cn1nnnc1SCCNc1nc(-c2ccccc2)nc2c1CCNC2 67983386 HCPYKTVBSXBHAY-UHFFFAOYSA-N 368.470 1.517 0 50 FDAA Cc1cc(-c2nn(C)c(Cl)c2CN2CCOC[C@@H]2CC(N)=O)no1 72480245 JSDVPQKAJQCUCE-JTQLQIEISA-N 353.810 1.113 0 50 FDAA O=C1NC[C@@]2(C(=O)O)CN(C(=O)c3cccc4c(Cl)cccc34)C[C@@H]12 72440367 YCBVQDFWZMNJMT-SCLBCKFNSA-N 358.781 1.766 0 50 FDAA O=S(=O)(/C=C/c1ccccc1)N1CC[C@](O)(c2nc(C3CC3)no2)C1 328612946 QGVUZGYSKJERGY-VGMNTSGFSA-N 361.423 1.841 0 50 FDAA NS(=O)(=O)NC[C@H]1CCCN(C(=O)CC2CC(c3ccccc3)C2)C1 281134070 FFSRRZYXFMQDGE-HPUBIQBYSA-N 365.499 1.602 0 50 FDAA Cc1c(S(=O)(=O)N2CCN[C@H](C(=O)O)C2)sc2ccc(Cl)cc12 71759324 QLDPTJXWGKLUSH-NSHDSACASA-N 374.871 1.910 0 50 FDAA CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]3CC[C@@H](N)C3)CC2)c(F)c1 72427150 MXTOJBLUTCYFKM-QWHCGFSZSA-N 369.462 1.005 0 50 FDAA CC(C)Cc1nc(CN(C)C(=O)CCc2cc3n(n2)CCCNC3)no1 72473737 LNOSRNFLLILBHL-UHFFFAOYSA-N 360.462 1.549 0 50 FDAA Nc1ncc(C(=O)N2CCC(N3CCCC3=O)CC2)c(-c2ccccc2)n1 71479435 IQRLPLSPFTYAAZ-UHFFFAOYSA-N 365.437 1.953 0 50 FDAA CC(=O)N1CCC(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)CC1 329484637 SJUNPVJFHRKVGU-UHFFFAOYSA-N 362.455 1.221 0 50 FDAA NCCN1C(=O)CC[C@H]2CN(C3CCN(c4ccccc4)CC3)CC[C@H]21 72454242 AEBOYMAOUHSWHC-FXAWDEMLSA-N 356.514 1.927 0 50 FDAA COc1cc(OC)nc(N[C@@H]2COCC[C@@H]2OCc2c(C)noc2C)n1 219945779 GCDQTLUSVBRGSD-KGLIPLIRSA-N 364.402 1.885 0 50 FDAA O=C1CSCN1CC(=O)N(Cc1nccs1)[C@@H]1CC12CCNCC2 435565793 UHUFKKISUISHMD-GFCCVEGCSA-N 366.512 1.147 0 50 FDAA COCc1nc(NCCNC(=O)c2ccc(F)cc2)c2cnn(C)c2n1 72130995 IZFUFDMDXWGBGB-UHFFFAOYSA-N 358.377 1.491 0 50 FDAA Cc1cnn(C2(C(=O)O)CCN(C(=O)c3cccc4c3OCC4)CC2)c1 72481305 AEWHFBDXABDMBI-UHFFFAOYSA-N 355.394 1.843 0 50 FDAA CCn1ccnc1CN(C(=O)[C@@H]1CC12CCNCC2)[C@H]1CC12CCNCC2 261833467 YZLJTBBDUCGPAR-IRXDYDNUSA-N 371.529 1.763 0 50 FDAA O=C(CN1CCC[C@H]1C(=O)O)NCCc1ccc(OC(F)(F)F)cc1 262658859 NDAREHKEADRKKA-ZDUSSCGKSA-N 360.332 1.793 0 50 FDAA Cc1cnc(CN2C[C@]3(CCCN(c4cc(N)ncn4)C3)CCC2=O)cn1 77378271 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365.455 1.019 0 50 FDAA CC1CCC(N2C[C@H](C(=O)NS(=O)(=O)CC3CCC3)CC2=O)CC1 165062112 BBUHXFBXTYARBS-HNFVBEJKSA-N 356.488 1.660 0 50 FDAA CN(Cc1nccc(N)n1)[C@@H]1CCN(C(=O)[C@H]2CCOc3ccccc32)C1 276419497 LHUAYZIKZLLSBR-ZBFHGGJFSA-N 367.453 1.658 0 50 FDAA COC(=O)[C@@H]1CCN2C(=O)N(c3ccc(-n4cccn4)c(F)c3)C(=O)[C@@H]2C1 278044079 HYGJKMUGUAKFRH-ABAIWWIYSA-N 372.356 1.732 0 50 FDAA CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](C)c1ccc(-n2nc(C)cc2C)cc1 193361035 CSWKEPLQQJRGEM-NIKGAXFTSA-N 370.453 1.648 0 50 FDAA CNC(=O)Cn1cc(NC(=O)C2(c3ccccc3)CCN(C)CC2)cn1 1506426898 VUDRRYYKSDREEK-UHFFFAOYSA-N 355.442 1.231 0 50 FDAA COc1cccc(C(=O)N2CCOC3(CCN(CCC(=O)O)CC3)C2)c1 1506427486 MYFHTRPXTULPPB-UHFFFAOYSA-N 362.426 1.477 0 50 FDAA CN(C)S(=O)(=O)C[C@@H]1CN(c2ccnc3ccc(Cl)cc23)C[C@H]1O 1529186137 AKBKOEUUUJDYQQ-MEDUHNTESA-N 369.874 1.577 0 50 FDAA CC(C)CN1CCCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CC1 1529174412 RQRLVNSYZBYPRF-MOPGFXCFSA-N 359.470 1.433 0 50 FDAA CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)Cc1cccc(F)c1)C2 213406330 KDWBHNPWMUWLSB-ZBFHGGJFSA-N 369.462 1.097 0 50 FDAA CNCCN1C(=O)CC[C@@H]2CN(C(=O)c3onc4ccccc34)CC[C@@H]21 215465327 IBJZKNJMYFYNQS-CJNGLKHVSA-N 356.426 1.500 0 50 FDAA O=C(O)CN1C[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C(F)(F)F)cc1)C2 1704312676 IEWRMCKNHOOEQF-RISCZKNCSA-N 372.343 1.563 0 50 FDAA O=C(CCn1c(CO)nc2ccccc21)NCc1[nH]nc2ncccc12 1772804845 FWRWFFLCQSUKDD-UHFFFAOYSA-N 350.382 1.506 0 50 FDAA CCN(Cc1nccn1C)C(=O)c1ccc(N2CC[C@@H](COC)C2)nc1 12304770 HWOLAKJVTYNMFB-OAHLLOKOSA-N 357.458 1.950 0 50 FDAA CCOC(=O)CCNC(=O)N1CCC[C@@H](N(C)CCc2ccccn2)C1 12304774 PFYGTDKSYQMGFQ-QGZVFWFLSA-N 362.474 1.683 0 50 FDAA COc1ccc(Cn2cc(C(=O)N(CCO)Cc3ccccc3)nn2)cc1 12575733 IEUASFWFCBLCDE-UHFFFAOYSA-N 366.421 1.970 0 50 FDAA CN1CN=C2SC3(COC(c4ccccc4Cl)OC3)C(=O)N2C1 19707071 SGNRZUKMVUAHKX-UHFFFAOYSA-N 353.831 1.916 0 50 FDAA O=C(NCC[C@@H]1COc2ccccc2O1)c1ccc(N2CCOCC2)nc1 19838601 QQOKUACYQKNEGM-MRXNPFEDSA-N 369.421 1.878 0 50 FDAA COc1cc(/C=C2/N=C3SC(=O)C(C)=NN3C2=O)ccc1OC(C)=O 4528663 QZCVUCVQKFMWNU-IZZDOVSWSA-N 359.363 1.809 0 50 FDAA O=C1C[C@H]2CN(Cc3ccccc3CS(=O)(=O)c3ccccc3)C[C@H]2N1 1857667946 DYUGXVSWQHXVSA-PKOBYXMFSA-N 370.474 1.981 0 50 FDAA Cc1nc(N[C@@H]2CCOC2)c2c(n1)C1(CC2)CCN(CC(=O)N(C)C)CC1 1857691238 BLVBORIXZXVUSC-OAHLLOKOSA-N 373.501 1.354 0 50 FDAA COc1ccccc1CC(=O)N1C[C@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857738357 DIXVHJYWFOSKEZ-HGIWEUDGSA-N 367.445 1.833 0 50 FDAA Cc1cccc(S(=O)(=O)N2CC(N3CCNC3=O)C2)c1Br 408461262 USAKZEVIHIQISO-UHFFFAOYSA-N 374.260 1.156 0 50 FDAA CCn1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC=C(C)C)cc1=O 220192259 XGBZRNKMDDSMAI-SJORKVTESA-N 357.454 1.897 0 50 FDAA Cc1noc(COC2CN(C(=O)[C@H](O)c3ccc(Cl)cc3F)C2)n1 818662011 JYYVSVARRQKQCH-CQSZACIVSA-N 355.753 1.632 0 50 FDAA O=C1CO[C@@]2(CCN(C(=O)C3(O)CCCCC3)C2)CN1Cc1ccccc1 922286605 AUSRXPYKSARYNN-HXUWFJFHSA-N 372.465 1.712 0 50 FDAA N[C@@H]1CC[C@H]2CN(C(=O)C(=O)Nc3ccc(N4CCCCC4)cc3)C[C@@H]12 841215259 ZRHSRAYCTDBSMY-BMGDILEWSA-N 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361.490 1.830 0 50 FDAA CCC[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)Cc1ccc(OC)cc1 91441160 PAHLJXFPXOYXDP-HOCLYGCPSA-N 354.472 1.414 0 50 FDAA Cc1ncc(C(=O)N2CCN(CCCOc3ccc(F)cc3)CC2)c(=O)[nH]1 91876921 GDPVAWUYIJUWHM-UHFFFAOYSA-N 374.416 1.444 0 50 FDAA CCn1c(Cn2cccn2)nnc1C1CCN(C(=O)c2ncc[nH]2)CC1 91503861 DUKDBJLWCMOXMJ-UHFFFAOYSA-N 354.418 1.286 0 50 FDAA O=C1N[C@@H](C(=O)NCc2csc(N3CCCC3)n2)Cc2ccccc21 97546506 JGKGAXOJHLIOGY-OAHLLOKOSA-N 356.451 1.714 0 50 FDAA C[C@H](CNC(=O)C1CCN(C(=O)c2ccncc2)CC1)Oc1cccnc1 244724017 MMCPXUYVMOHDKY-OAHLLOKOSA-N 368.437 1.913 0 50 FDAA Cn1cc([C@H](NC(=O)c2cc(=O)c3ccccc3o2)[C@H]2C[C@H](O)C2)cn1 244574975 CUOWHEHMADSZCC-AEDCBLDQSA-N 353.378 1.769 0 50 FDAA CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)NC[C@@H]1CCCO1 252346767 BAUVBXLDNZRGPD-FZDIXFNVSA-N 373.497 1.527 0 50 FDAA Cn1cc(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c(=O)c2ccccc21 252490432 KTIGJMYSLOQIAO-INIZCTEOSA-N 369.465 1.912 0 50 FDAA O=C(Cn1nc(-c2ccccc2F)ccc1=O)N[C@H](CO)c1ccccc1 252485403 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353.422 1.925 0 50 FDAA O=C(O)Cn1ccc([C@@H]2CCCN(Cc3cc(=O)n4ccccc4n3)C2)n1 426387839 UJHJUYAMHXZYMF-CQSZACIVSA-N 367.409 1.355 0 50 FDAA CSCCCN1CCC(c2nnc(CN3CCN(C)CC3)n2C)CC1 97797755 MJBXRVKYPBCDJQ-UHFFFAOYSA-N 366.579 1.495 0 50 FDAA CN(C)CCN(C)C[C@@H]1CN(C(=O)c2cc(F)ccc2Cl)C[C@@H]1CO 91997760 ANIPPBGNBFCXHR-ZIAGYGMSSA-N 371.884 1.653 0 50 FDAA COCCCn1cnnc1[C@@H](C)NC(=O)c1ccc(-n2ccnc2)cc1 97307500 PNTDSDCNLDBWRZ-CQSZACIVSA-N 354.414 1.991 0 50 FDAA Cn1c2c(cc(C(=O)N3CCN(Cc4ccco4)CC3)c1=O)CCCC2 426441960 RGXRBQUPWBDZLQ-UHFFFAOYSA-N 355.438 1.815 0 50 FDAA Cc1cc(C(=O)N(C)[C@H]2CCNC2)ccc1NS(=O)(=O)C(F)(F)F 179075214 QODWPMIVEYJLOA-NSHDSACASA-N 365.377 1.690 0 50 FDAA CS(=O)(=O)N1CCc2[nH]cnc2C12CCN(CC1CCCC1)CC2 91847670 ALXXEQFPIHTXBT-UHFFFAOYSA-N 352.504 1.709 0 50 FDAA Cc1ccc(F)cc1CC(=O)N1CCC2(CCC(=O)N(CCO)C2)CC1 92081008 GBCSPCPLCBNRNH-UHFFFAOYSA-N 362.445 1.900 0 50 FDAA CN1C[C@H](C(=O)N2CCC(c3nccn3Cc3ccccn3)CC2)CC1=O 91713953 UAUWNGQXZHHLPQ-MRXNPFEDSA-N 367.453 1.511 0 50 FDAA 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365.846 1.720 0 50 FDAA COc1cc(C)c(-c2cccc(C(=O)NCCc3noc(CO)n3)c2)cn1 824852798 GUFQUESPPYTAFZ-UHFFFAOYSA-N 368.393 1.913 0 50 FDAA CC(C)(CN1CCOC2(CCN(S(C)(=O)=O)CC2)C1)N1CCCCC1 821746085 YDJIWUCDQCPFGN-UHFFFAOYSA-N 373.563 1.377 0 50 FDAA COC(=O)C[C@H](c1ccc(OC)c(CO)c1)c1c(O)cc(C)n(C)c1=O 824134502 AAQJVRJNUZFYOH-CQSZACIVSA-N 361.394 1.595 0 50 FDAA biogenic COCCCn1cnnc1CNS(=O)(=O)c1ccc(Cl)s1 824396879 MQTLJMSUZIJEBI-UHFFFAOYSA-N 350.853 1.508 0 50 FDAA Cc1ncnc(N2CCN(C(=O)CCn3nnc4ccccc43)CC2)c1C 952969009 PJSHNKGSXNGBPX-UHFFFAOYSA-N 365.441 1.577 0 50 FDAA CC1=C(C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)OCCO1 952970888 CJCOAPZWYDSOSX-HNNXBMFYSA-N 351.424 1.481 0 50 FDAA O=C(COc1cccc(F)c1)N[C@H]1CCN(Cc2cccnc2)C[C@@H]1O 1565529773 PVFZUQVAMNCTNX-ROUUACIJSA-N 359.401 1.351 0 50 FDAA CC(C)[C@@H](C(=O)N1CCN(c2cncc3ncnn23)CC1)N1CCCCC1 275840893 XOEBJCHNDZCGAS-SFHVURJKSA-N 371.489 1.283 0 50 FDAA C[C@H](NC(=O)N1CCN(CC(=O)NC2CCCCC2)CC1)c1cccnc1 170884943 NDIHNIBUEFTGQU-INIZCTEOSA-N 373.501 1.919 0 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1.705 0 50 FDAA CCc1ccc(CN2C[C@H]3CN(C(=O)C4CC=CC4)C[C@]3(CO)C2)nc1 1772813495 DGELNLJSGULGCX-RXVVDRJESA-N 355.482 1.863 0 50 FDAA COCCN1CCC[C@@H](C(=O)N2CCCN(C(=O)C3CCCC3)CC2)C1 1772708127 BVXOOBKLDCITAK-GOSISDBHSA-N 365.518 1.596 0 50 FDAA CN1C(=O)C[C@H](C(=O)N2CCN(C)C3(CCOCC3)C2)c2ccccc21 1775978307 RDQPVDXOZPUWIR-INIZCTEOSA-N 357.454 1.460 0 50 FDAA O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 5050841 ZCHRMGHDLUPBJY-HIFRSBDPSA-N 370.446 1.522 0 50 FDAA Cc1n[nH]c(C)c1CCN(C)C(=O)[C@H]1CCCN(C2CCN(C)CC2)C1 12303445 KXGWIWVDBZVCBP-KRWDZBQOSA-N 361.534 1.834 0 50 FDAA COC(=O)c1sccc1S(=O)(=O)Nc1ccc(CC(=O)O)cc1 12652623 HDWWISRVSYBJCT-UHFFFAOYSA-N 355.393 1.963 0 50 FDAA O=C1N(CC2CCCCC2)CCC[C@]1(O)CNCc1n[nH]c2c1CCC2 15073548 XBIWDRRRSDIYNT-FQEVSTJZSA-N 360.502 1.922 0 50 FDAA Cc1cccn2c(CC(=O)N3CCC[C@H](Cn4cc(CO)nn4)C3)cnc12 19145896 SWVHGNMPGZRCIY-HNNXBMFYSA-N 368.441 1.208 0 50 FDAA O=C(CCC(=O)N1CCN(Cc2cccc(O)c2)CC1)NC1CCCC1 155236407 YHGNPEGZEDEBAR-UHFFFAOYSA-N 359.470 1.875 0 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CC(C)N1CC[C@@H](N(C)c2ncnc3c2ncn3CC2(O)CCOCC2)C1 888097808 PJNWYWWJTVPTHF-OAHLLOKOSA-N 374.489 1.287 0 50 FDAA COc1ccc(OC)c2[nH]c(SCC(=O)N[C@@H]3CCSC3=O)nc12 6668682 MQDVUOKJOZMWLG-MRVPVSSYSA-N 367.452 1.821 0 50 FDAA O=C(CCC(F)(F)F)NCC[C@H]1CCN(C(=O)CC2OCCO2)C1 2325860868 XOMRHIXRIXNBOD-NSHDSACASA-N 352.353 1.447 0 50 FDAA CCN(C)CC(=O)N(C)[C@@H]1CCN(C(=O)c2ccc3cccnc3c2)C1 2325871452 LWNSYZVPMJKBSJ-QGZVFWFLSA-N 354.454 1.859 0 50 FDAA Cn1c(CCNC(=O)c2cnn3ccc(CN)cc23)nc2c(F)cccc21 2325876011 IFGMZOIJLMKJHX-UHFFFAOYSA-N 366.400 1.791 0 50 FDAA C=CC(=O)N(C)CC(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 860575227 KRZIVYPQPPZFJM-LBPRGKRZSA-N 357.332 1.725 0 50 FDAA NC(=O)C1CCN(C(=O)c2ccc(I)cc2)CC1 1098932 PWEXOEXNLZVQQF-UHFFFAOYSA-N 358.179 1.629 0 50 FDAA CCCCCOC(=O)Nc1ccc(S(=O)(=O)Nn2cnnc2)cc1 1663340 FIMFUNAJSAUXBO-UHFFFAOYSA-N 353.404 1.949 0 50 FDAA CSCC[C@@H](NC(C)=O)C(=O)OCC(=O)Nc1nnc(C(C)C)s1 2751047 LGTNJPLXJSZZER-SNVBAGLBSA-N 374.488 1.401 0 50 FDAA biogenic O=C(O)c1cnc2c(c1)n(CCN1CCOCC1)c(=O)n2C1CCCCC1 55415036 ITQOZBWBWJINJG-UHFFFAOYSA-N 374.441 1.734 0 50 FDAA COc1ccc(-n2ccc(CNS(=O)(=O)N3C[C@H]4CC[C@H]3C4)n2)cc1 246176017 MXHNOXWKHMBNPR-BBRMVZONSA-N 362.455 1.700 0 50 FDAA CC(C)Oc1ccc([C@H](C(=O)O)N2CCN(CCOCCO)CC2)cc1 55369143 MMSFQJWCEZYCFL-GOSISDBHSA-N 366.458 1.226 0 50 FDAA C[C@@H](C(=O)N1CC[C@]2(O)CCCC[C@H]2C1)n1nnc2ccccc2c1=O 409412974 HAMZPLPLMKEADP-CKFHNAJUSA-N 356.426 1.506 0 50 FDAA CCC[C@]1(C2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)NC(=O)NC1=O 67819061 SLKPUMGRLVIULK-GOSISDBHSA-N 370.413 1.188 0 50 FDAA O=C(NCC[C@@H]1COc2ccccc2O1)c1ccc(N2CC(O)C2)nc1 67909970 VVSOOQQQIZJSJW-OAHLLOKOSA-N 355.394 1.222 0 50 FDAA O=C(NCc1ccccc1Cn1cccn1)[C@H]1CCC(=O)N(C2CC2)C1 12464622 MGFSJPIFLFQDTP-KRWDZBQOSA-N 352.438 1.949 0 50 FDAA COC(=O)[C@@H](NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)c1ccccc1 170191577 WGNPANXIGHQYHK-WBMJQRKESA-N 366.373 1.702 0 50 FDAA CCOC(=O)C[C@@H]1COCCN1C(=O)c1cc(-c2ccccc2)nn1C 65423197 DBYFDBZGBSEECP-OAHLLOKOSA-N 357.410 1.881 0 50 FDAA NC(=O)c1cnc2n1CCN(C(=O)c1cccc(Oc3ncccn3)c1)C2 67817271 FARPTMYSIZKSOJ-UHFFFAOYSA-N 364.365 1.220 0 50 FDAA CCOC(=O)c1cc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)nn1C 2786265 NCIPKQXHPTWQSC-UHFFFAOYSA-N 362.411 1.498 0 50 FDAA Cc1c(C(=O)NCCCN2CCCCCC2=O)nnn1C1CCNCC1 150725734 YSEUNGOIYSHRLO-UHFFFAOYSA-N 362.478 1.034 0 50 FDAA CCNC(=O)CN(CC)C(=O)NC1CCN(CCc2ccccc2)CC1 171734966 KUJCFLKYENYJIQ-UHFFFAOYSA-N 360.502 1.861 0 50 FDAA CC(C)CCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2ccno2)[C@@H]3C1=O 77407130 BQOHXUBNBQZYAB-MKSNKDDYSA-N 359.426 1.461 0 50 FDAA CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2Cc1nc(=O)n(C)[nH]1 329585246 MCMTXECGKYJAMU-XYPWUTKMSA-N 355.442 1.376 0 50 FDAA Cc1ccc2[nH]nc(C(=O)NCc3cc(N4CCOCC4)ncn3)c2c1 72475509 ZLFSLUMMHFQGGZ-UHFFFAOYSA-N 352.398 1.428 0 50 FDAA O=C1Nc2ccccc2[C@@]12CCCN(c1cc(N3CCOCC3)ncn1)C2 72153012 LQFDJFJTPNAEAZ-FQEVSTJZSA-N 365.437 1.804 0 50 FDAA COc1ccccc1C(=O)N1CCN(C(=O)[C@H](O)CCSC)CC1 72436708 RIHGFXBSALSCHE-CQSZACIVSA-N 352.456 1.094 0 50 FDAA Nc1ncccc1CN1C[C@@H]2CN(Cc3cccc(O)c3)C[C@]2(C(=O)O)C1 214984667 MNDYRBRYAJXUBE-JXFKEZNVSA-N 368.437 1.388 0 50 FDAA O=C1CCC(C(=O)N2CC(F)(F)C[C@@H]2CO)=NN1Cc1ccccc1 372507164 PKTCLWQSFKBNFE-CYBMUJFWSA-N 351.353 1.394 0 50 FDAA CN(Cc1ccccc1)S(=O)(=O)N1CCCC[C@@H]1CN1CCOCC1 77406589 BRASZTBQRHHNLO-GOSISDBHSA-N 367.515 1.550 0 50 FDAA CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)Cc1ccc(Cl)s1 282647921 HDIACSHNZNYQLL-GXSJLCMTSA-N 350.893 1.778 0 50 FDAA COc1ccc([C@@H]2CN(C(=O)C3(C(N)=O)CC3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 71440221 MGHZAHVPDQGYJM-RCCFBDPRSA-N 369.465 1.349 0 50 FDAA COCCC(=O)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 72167477 JDLHHEPXVASJEV-CDHQVMDDSA-N 358.438 1.840 0 50 FDAA CN1CCN(C(=O)[C@@H]2C[C@H](C(=O)O)CN(Cc3cccc(F)c3)C2)CC1 71774823 QHEMURJWIFYEQO-CVEARBPZSA-N 363.433 1.122 0 50 FDAA Cc1nc2ccc(S(=O)(=O)N3CCC[C@@](O)(CO)CC3)cc2s1 72165284 ZCXSTCGAQROCKJ-HNNXBMFYSA-N 356.469 1.503 0 50 FDAA Cc1nc(C)c(CC(=O)N2CCC[C@H](C(=O)Cc3ccccc3)C2)c(=O)[nH]1 77407941 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KATNQUBZARRBCX-UHFFFAOYSA-N 367.446 1.699 0 50 FDAA Cc1nc(C)c(C(=O)N2C[C@H](CO)[C@H](CN3C[C@H](C)O[C@H](C)C3)C2)s1 95375335 PUPOKJKBZKIGOC-NOXHYTERSA-N 367.515 1.550 0 50 FDAA Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@H]3CCCO3)C2)cc1 239302865 FSKXIMWGZGUUEN-HZPDHXFCSA-N 366.483 1.691 0 50 FDAA CCn1nc(C(C)C)cc1C(=O)N1C[C@@H]2CC[C@H](C1)N(CCOC)C2=O 91625820 ANBYUVOXYYULCK-LSDHHAIUSA-N 362.474 1.736 0 50 FDAA CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccc3cc[nH]c3c1)C2 91254273 RLDXHSNVRDRBII-JKSUJKDBSA-N 368.437 1.319 0 50 FDAA O=C(c1ccc[nH]1)N1CCN(C(=O)[C@H]2CCOc3ccccc3C2)CC1 96162252 JZFAJBSBJILLFB-INIZCTEOSA-N 353.422 1.941 0 50 FDAA CC(C)c1nnc(N2C[C@H]3CN(C(=O)C4CCC4)C[C@@]3(C(=O)O)C2)s1 96162259 CYHOSYJGYNGXEP-SJKOYZFVSA-N 364.471 1.811 0 50 FDAA O=C(O)c1ccc(CCNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)cc1 95517821 SWXCUMYAFOQJDB-INIZCTEOSA-N 367.405 1.487 0 50 FDAA COCCN1CCC[C@]2(CCN(c3nc(N(C)C)nc(C)c3C)C2)C1=O 91626096 FYXLCIAPXDHJOF-LJQANCHMSA-N 361.490 1.625 0 50 FDAA COCCc1nc(-c2ccc(OC)nc2OC)n(C2CCN(C)CC2)n1 95512369 DZAFFUFBTOONDK-UHFFFAOYSA-N 361.446 1.813 0 50 FDAA O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)NCc1ccccc1 239403291 RSCGGEJUXVCNAR-UPHDCGPKSA-N 350.418 1.746 0 50 FDAA O=C(O)[C@@H]1CN(C(=O)c2ccccc2-c2nnn[nH]2)C[C@H]1c1ccccc1 91444885 ZQNDDOJMKBHWBS-JKSUJKDBSA-N 363.377 1.807 0 50 FDAA CSCCc1nc(-c2cc(C)nc(C)n2)n([C@H]2CCS(=O)(=O)C2)n1 96180706 JMURJZFRNIOXKV-LBPRGKRZSA-N 367.500 1.617 0 50 FDAA Nc1nc(NCCc2nc(-c3cccnc3)n[nH]2)cc([C@H]2C[C@@H](N)C2)n1 244678485 IEFZRKWXJLGYTC-TXEJJXNPSA-N 351.418 1.098 0 50 FDAA O=C(N[C@@H]1CCN(C(=O)c2ccccn2)C[C@H]1O)c1cc(F)cc(F)c1 244633537 GEPQJPSDLNNOGA-GDBMZVCRSA-N 361.348 1.365 0 50 FDAA Cc1ccccc1CNC(=O)CN1CCC[C@@H](c2nnc(CO)n2C)C1 244796161 RUDPEQULQDHMEK-MRXNPFEDSA-N 357.458 1.112 0 50 FDAA Cc1ccc(-c2nc(CN3CCCN(S(C)(=O)=O)CC3)no2)cc1 252484306 FUCZFDMHYJUGAP-UHFFFAOYSA-N 350.444 1.512 0 50 FDAA CCCOc1ccccc1CCCNC(=O)[C@@H]1CCCN1S(C)(=O)=O 299770714 QIDSRDIFXIQBBN-INIZCTEOSA-N 368.499 1.948 0 50 FDAA CCCc1nc(CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)cs1 299756961 JBCLLQCRGSSPBY-UHFFFAOYSA-N 369.468 1.682 0 50 FDAA Cc1nc2cc(C(=O)N3CCC4(CC3)C(=O)N(C)C(=O)N4C)ccc2[nH]1 299758764 LOVIOVXFJJMVEE-UHFFFAOYSA-N 355.398 1.370 0 50 FDAA Cn1ccnc1CNC(=O)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 299783556 VLMKTFRYOLYLCE-OAHLLOKOSA-N 357.414 1.651 0 50 FDAA CCOc1ccc(CCCNC(=O)N2CC[C@@]3(O)CCNC[C@H]3C2)cc1 823375173 WISCKMLZZKYATA-PXNSSMCTSA-N 361.486 1.774 0 50 FDAA Cc1nn(CC(F)(F)F)cc1C(=O)N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 1333104014 KRSGPZMKVLQCSQ-MNOVXSKESA-N 365.377 1.261 0 50 FDAA COCCN1CC[C@@H](CN(C)S(=O)(=O)c2cc(OC)ccc2OC)C1 952965495 PQRDWFLIAUNXII-AWEZNQCLSA-N 372.487 1.293 0 50 FDAA Cc1ccn2cc(C(=O)N[C@H]3CCN(Cc4cscn4)C[C@@H]3O)nc2c1 1565508867 UEQNWNKFTVACBV-HOCLYGCPSA-N 371.466 1.464 0 50 FDAA CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2cc(Cl)cnc2N)C1 275387644 ZFLCFEYWUBPGBR-VHSXEESVSA-N 373.822 1.159 0 50 FDAA COC(=O)c1ccc(NC[C@H](O)COc2ccc(F)cc2)nc1OC 170598848 DZKVSRNYYLSTDT-LBPRGKRZSA-N 350.346 1.868 0 50 FDAA CNC(=O)c1ccc(S(=O)(=O)NCc2ccc3c(c2)CCCO3)cc1 1506404391 HLGCGNWWLKBMCM-UHFFFAOYSA-N 360.435 1.850 0 50 FDAA O=C1CCCCN1CC(=O)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1529152763 WXDQGZSJFJZFML-VQIMIIECSA-N 367.449 1.609 0 50 FDAA Cc1nc(O)cc([C@H]2CCCN(C(=O)c3c(C)nn4ncccc34)C2)n1 1775981653 HQEFKTPJURQMJR-ZDUSSCGKSA-N 352.398 1.862 0 50 FDAA O=C(CCc1c[nH]c2ccccc12)N1CCN(C(=O)[C@@H]2CCCO2)CC1 12408721 CSUCRAYZODSHBB-SFHVURJKSA-N 355.438 1.950 0 50 FDAA COC(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1 12787330 NNYOCPCOXKXTCQ-ZDUSSCGKSA-N 354.428 1.392 0 50 FDAA CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@H](N(C)CCOC)CC2 14530557 IOPGFKZVVSROGZ-QGZVFWFLSA-N 370.497 1.921 0 50 FDAA O=C1C[C@@H](NS(=O)(=O)N2CCCCC2)CN1CCc1ccc(F)cc1 14976214 PQNPBFZYYJRVNN-MRXNPFEDSA-N 369.462 1.289 0 50 FDAA CCc1c(C(=O)N[C@@H](C)COC)c(=O)cc(C)n1CCN1CCCCC1 14981311 UGKVXGYSGCCYGU-HNNXBMFYSA-N 363.502 1.970 0 50 FDAA COCCN1CCC[C@@H](CNc2nc3nonc3nc2N2CCCC2)C1 15076110 ZXRMAZYUKUVNRO-ZDUSSCGKSA-N 361.450 1.383 0 50 FDAA O=C(NC[C@H]1CCCO1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 169355922 ZCHRMGHDLUPBJY-UKRRQHHQSA-N 370.446 1.522 0 50 FDAA Cn1ccc(C(=O)N2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)cc1=O 1857671427 XDQQNLUPEZXZQF-FQEVSTJZSA-N 367.405 1.275 0 50 FDAA Cc1[nH]nc(C(=O)N2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)c1Cl 1857715695 CZAWRYFFZSYSQB-USBNGQNGSA-N 352.822 1.569 0 50 FDAA Cc1ccc(S(=O)(=O)N2CCC3(CC2)CNC(=O)CCO3)cc1Cl 1857722115 BVPKMANAPPCQIJ-UHFFFAOYSA-N 372.874 1.708 0 50 FDAA CN(C)CCCOc1ccc(CN2CC[C@@]34OCCN3C(=O)C[C@@H]24)cc1 1857730195 LLVSCPHFXPTVAL-QUCCMNQESA-N 359.470 1.550 0 50 FDAA Cc1noc([C@H]2C[C@@H](O)CN2C(=O)c2ccc(C)c(S(C)(=O)=O)c2)n1 331900487 YSGVOOUUWMVMFL-CHWSQXEVSA-N 365.411 1.038 0 50 FDAA CCc1ccc(CNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1 241126203 JKGRYVGMCCNHMK-UHFFFAOYSA-N 371.441 1.626 0 50 FDAA O=C(c1cnc(O)cn1)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccc1 248071491 YGWGTQJSVOQOGQ-CABCVRRESA-N 352.394 1.445 0 50 FDAA CCCN1CCCN(C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)CC1=O 252491456 LMXOHSXPCHLDRN-INIZCTEOSA-N 366.506 1.141 0 50 FDAA CS(=O)(=O)c1ccc(OCCCC(=O)N2CCC[C@H](C(=O)O)C2)cc1 262462915 RBMPVYKZWXIXCF-ZDUSSCGKSA-N 369.439 1.572 0 50 FDAA COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CC[C@H](O)[C@@H](C(=O)O)C1 1704301244 QQJCKHZFTIRANZ-STQMWFEESA-N 371.455 1.449 0 50 FDAA CN(C)[C@@H]1CN(Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1n1ccnn1 862497982 PUOBRVTYQMVQKA-MSOLQXFVSA-N 355.421 1.590 0 50 FDAA O=C(N[C@H]1CCc2ccccc2NC1=O)c1c[nH]nc1[C@@H]1CCCNC1 1875270197 NNMBKLDGXMLVSV-CJNGLKHVSA-N 353.426 1.560 0 50 FDAA CSCC[C@H](NC(=O)[C@H](C)Oc1ccc2ccc(=O)oc2c1)C(=O)O 1875390527 VLMUSCGLFFOTQT-GWCFXTLKSA-N 365.407 1.883 0 50 FDAA Cc1cnc(CN[C@@H]2CCN(c3nc(C(N)=O)nc(C)c3C)C2)c(C)c1 1875399909 LZMMSQHNYIOTME-OAHLLOKOSA-N 354.458 1.573 0 50 FDAA CC1(C)CN(C(=O)c2ccncc2-n2cc(C3CC3)nn2)[C@@H](C(=O)O)CO1 1875353916 KQHDOUOBAIUTNX-OAHLLOKOSA-N 371.397 1.244 0 50 FDAA CS(=O)(=O)NC(=O)[C@H]1Cc2ccccc2N1C(=O)OCc1ccccc1 1875391292 CXGVTFDPMGHPBG-MRXNPFEDSA-N 374.418 1.830 0 50 FDAA CC(C)c1cc(N2CCN(CCNC(=O)[C@@H](C)n3cccn3)CC2)ncn1 1875302577 WWXILMDNGCCNJC-MRXNPFEDSA-N 371.489 1.296 0 50 FDAA O=C(Cn1cc(-c2ccccc2)nn1)N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O 1875402127 CCQIRHNWXKJDSU-YXJHDRRASA-N 366.425 1.098 0 50 FDAA C[C@@H](NC(=O)NCc1c(C2CC2)cnn1C)c1nnnn1-c1ccccc1 888101321 JGNBLDFVSNSWID-GFCCVEGCSA-N 366.429 1.834 0 50 FDAA CCn1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C(=O)O)CO3)n1 1777013849 YQMBLEXASGOEAI-LLVKDONJSA-N 351.384 1.340 0 50 FDAA O=C(Cc1ccccc1F)N[C@@H]1C[C@H](C(=O)NCc2ccncc2)C[C@H]1O 2100534720 VSQOPICVBDLRFV-CGTJXYLNSA-N 371.412 1.335 0 50 FDAA Cc1cnc(CN(C)C(=O)NCc2ccnc(N3CCN(C)CC3)c2)[nH]1 2325768384 PCPGNYDOWDBGTI-UHFFFAOYSA-N 357.462 1.207 0 50 FDAA Cc1c(C)c2nnc(C(F)(F)F)n2[nH]c1=NC[C@H](F)C1CCNCC1 2325789257 HAHQCQKVRKDDQH-NSHDSACASA-N 360.359 1.931 0 50 FDAA COc1cc(CN2CC[C@H](NC(=O)C[C@H]3C=C[C@@H](N)C3)C2)cc(OC)c1 2325797505 AUUFALJMWVKDDH-UAGQMJEPSA-N 359.470 1.688 0 50 FDAA C[C@H](CC(=O)O[C@H](C)[C@H]1NC(=O)CNC1=O)c1ccc(C(F)(F)F)cc1 2325798896 ILLUOXGQQFAQCV-IQMDTDKHSA-N 372.343 1.745 0 50 FDAA O=C(NCc1n[nH]cc1Br)N[C@@H](Cc1ccoc1)C(=O)O 2325821472 RNEMEENZLIIKNG-VIFPVBQESA-N 357.164 1.260 0 50 FDAA Cn1ccnc1[C@H]1CNCCN1CCNC(=O)c1c[nH]c2c(F)cccc12 2325822290 OSGDBRBTTRMPQV-MRXNPFEDSA-N 370.432 1.417 0 50 FDAA C[C@H](CCNS(=O)(=O)CC1CN(S(C)(=O)=O)C1)CC(C)(C)C 907143508 ZYCSIZJINVMCBO-GFCCVEGCSA-N 354.538 1.260 0 50 FDAA Cc1ccn(C)c1C(=O)NC[C@@H]1C[C@H](C(=O)N[C@@H](C)c2ccn(C)n2)CO1 2332237877 PQVHQUDMEJLDNJ-KKUMJFAQSA-N 373.457 1.079 0 50 FDAA O=C(C[C@@]1(O)C(=O)Nc2ccccc21)C[C@@]1(O)C(=O)Nc2ccccc21 975849 ROCVBZTWTGXHKR-OALUTQOASA-N 352.346 1.016 0 50 FDAA biogenic CN(C)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1 1308784 AJCLEBGKYMQVJU-UHFFFAOYSA-N 370.457 1.030 0 50 FDAA Cc1cccc(N(CC(=O)N2CC(=O)Nc3ccccc32)S(C)(=O)=O)c1 4941233 JHPPYFQDQUTGPM-UHFFFAOYSA-N 373.434 1.746 0 50 FDAA CC(C)(CN1CCCCC1)NC(=O)c1cc(CN2CCOCC2)on1 67856354 MDAIISWKDQGAIU-UHFFFAOYSA-N 350.463 1.501 0 50 FDAA CC(=O)Nc1ccc(CNC(=O)CNC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1 102317137 VOKCRKHQTWHBKZ-FBIZOPLVSA-N 371.481 1.935 0 50 FDAA Cc1ccn2cc(CNC(=O)c3cc(CN4CCOCC4)on3)nc2c1 67678261 LDFKXWCPAAMNNE-UHFFFAOYSA-N 355.398 1.393 0 50 FDAA CCN(CC)Cc1cnc2c(C(=O)NCCc3cnccn3)cnn2c1 67513681 GJORWCPMIBKUMC-UHFFFAOYSA-N 353.430 1.334 0 50 FDAA O=c1n(Cc2noc(C3CC3)n2)nc(C2CCNCC2)n1-c1ccccc1 67514604 KGOOHZAAKUMSHC-UHFFFAOYSA-N 366.425 1.810 0 50 FDAA COc1ccc(-c2nc3ccccn3c2CN2CC[C@](N)(C(=O)O)C2)cc1 67934086 QVMWXXHUGLRZKQ-HXUWFJFHSA-N 366.421 1.998 0 50 FDAA CC(=O)N1CCCn2nc(C(=O)N(C)C3Cc4ccccc4C3)cc2C1 67725094 SQPJRWAQHNWMSN-UHFFFAOYSA-N 352.438 1.875 0 50 FDAA CCCN1CCC(Cc2noc([C@H]3CCCN3S(C)(=O)=O)n2)CC1 67909598 IIQQZVSRKSWOPK-CQSZACIVSA-N 356.492 1.831 0 50 FDAA COCC1(NS(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)CCCC1 67817471 ISZFKKWXMSTCNY-UHFFFAOYSA-N 374.484 1.330 0 50 FDAA O=C(NCCF)c1cccc(S(=O)(=O)NCCC[C@H]2CCOC2)c1 215707818 QDKOOKQAIMJUNU-ZDUSSCGKSA-N 358.435 1.481 0 50 FDAA CCn1ncc(S(=O)(=O)Nc2ncn(Cc3ccc(F)cc3)n2)c1C 2804364 FONUOFDSNPLJAJ-UHFFFAOYSA-N 364.406 1.791 0 50 FDAA Cc1nccc(N2CCN(c3nc(C(F)(F)F)nc4[nH]cnc34)CC2)n1 252496339 PGZISUCKNPKDPB-UHFFFAOYSA-N 364.335 1.797 0 50 FDAA Cc1cc(F)ccc1CS(=O)(=O)NC(=O)[C@H]1CCCN1C(=O)C(C)C 252485795 HENVCLWMPRQXGJ-OAHLLOKOSA-N 370.446 1.727 0 50 FDAA CCS(=O)(=O)N1CCN(c2ccc(Nc3ccc(C)cn3)nn2)CC1 72436859 XVMUCUYCIGIZAI-UHFFFAOYSA-N 362.459 1.395 0 50 FDAA O=C(c1ccc([C@@H]2CCNC2)cc1)N1CCC(N2CCC(O)CC2)CC1 72412160 HONRIYBOZBOLFH-GOSISDBHSA-N 357.498 1.825 0 50 FDAA Cc1ncc(CC(=O)N(CCc2ccccc2)C2CCN(C)CC2)c(=O)[nH]1 72440872 VALNUVOXUARACI-UHFFFAOYSA-N 368.481 1.786 0 50 FDAA Cc1nc([C@H]2CCCN(C(=O)c3c[nH]c(=O)cn3)C2)cc(N2CCCC2)n1 72436759 JMBIYMOBOYQCCE-AWEZNQCLSA-N 368.441 1.488 0 50 FDAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)N1Cc4cnn(CCO)c4C1)(C3)C2 215807985 APGLRSQDIYQXHK-ZVEHZALQSA-N 359.470 1.829 0 50 FDAA O=C(c1ccccc1-c1nnn[nH]1)N1CCC[C@@H](N2CCC(CO)CC2)C1 72140024 SNVSARQRXWNYHM-OAHLLOKOSA-N 370.457 1.176 0 50 FDAA COc1c(F)cccc1C(=O)N1CCC2(CC1)C[C@@H](C(=O)O)N(C)C2 72134429 KABSWSQVAJBTHQ-AWEZNQCLSA-N 350.390 1.845 0 50 FDAA COc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCOC1)CCN2C(=O)[C@H]1CCOC1 332911055 XWGAFPHGQJONQW-GRDNDAEWSA-N 374.437 1.662 0 50 FDAA O=C([C@H]1CCCO1)N1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 71762638 AGPDXUCEPGJHGY-MRXNPFEDSA-N 356.426 1.505 0 50 FDAA O=C(O)[C@H]1CC2(CCN(c3ncnc4[nH]cnc34)CC2)CN1C(=O)C1CC1 72456901 GPRFCCYQROCEBD-GFCCVEGCSA-N 370.413 1.035 0 50 FDAA Cc1ccc(OC2(C(=O)O)CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc1 72432118 LYOVHMGMXDPGLJ-UHFFFAOYSA-N 356.378 1.822 0 50 FDAA CC(C)CN1CCN(Cc2ccc(CN(C)S(C)(=O)=O)o2)[C@H](C)C1=O 77288071 KLLNAHBFFQXOOI-CQSZACIVSA-N 371.503 1.360 0 50 FDAA COc1ccc2c(c1)C1(CC1)CN(c1nc3c(c(O)nc(=O)n3C)n1C)C2 377329974 KTUMPMQZDBFYSW-UHFFFAOYSA-N 367.409 1.433 0 50 FDAA C[C@@H]1CC[C@@H](C)N1CCN1CCN(C(=O)CCC2CCNCC2)CC1 237431713 KHIQTPYZLGTAPP-QZTJIDSGSA-N 350.551 1.783 0 50 FDAA Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1C[C@@H]3[C@@H](C1)[C@H]1C=C[C@H]3O1)C2=O 333954897 FTOUKHIQXHHTIJ-JSPVNYKOSA-N 352.390 1.391 0 50 FDAA CN(CCO)C(=O)[C@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1 71767801 XDKZPIGZKZFQQX-IBGZPJMESA-N 359.514 1.814 0 50 FDAA Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(c2ccnc(N)n2)C1 72462573 GMBXDHBLMYBULI-AWEZNQCLSA-N 356.478 1.557 0 50 FDAA Cc1ccc(-n2[nH]c(C(=O)N[C@H]3CCC(=O)NC34CCC4)cc2=O)cc1 283694927 RLFZPFRWYAUMEK-HNNXBMFYSA-N 354.410 1.405 0 50 FDAA C[C@H](CCC(=O)NCc1nc(-c2ccccc2)n[nH]1)N1CCN(C)CC1 221278599 TYLQFZSNEYBVNV-OAHLLOKOSA-N 356.474 1.504 0 50 FDAA Cc1nnc([C@@H]2COCCN2C(=O)[C@H](C)n2ccc3ccccc3c2=O)o1 288566084 NKPSQIJJPYBSGG-LRDDRELGSA-N 368.393 1.854 0 50 FDAA COc1ccc(Cl)cc1S(=O)(=O)NCc1cc2n(n1)CCCNC2 82136709 RTSLGKVONVWISW-UHFFFAOYSA-N 370.862 1.517 0 50 FDAA COc1cccc(N2CCN(C(=O)[C@H](O)c3ccc(F)cc3)CC2=O)c1 82166371 LNRBSQGCFHOTLQ-GOSISDBHSA-N 358.369 1.743 0 50 FDAA CN(c1ccc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)cc1)S(C)(=O)=O 221334795 GDIJFZZPKXBMNY-AWEZNQCLSA-N 362.455 1.825 0 50 FDAA Nc1nc(C[C@@H]2CC(=O)N(c3ccccc3)C2)cc(N2CCOCC2)n1 222642961 FQKGKGSYEBMADF-CQSZACIVSA-N 353.426 1.491 0 50 FDAA COc1ccc(CCNC(=O)N2CCC[C@](O)(CN(C)C)C2)c(OC)c1 426369158 IJEKHYDHVWIFMG-IBGZPJMESA-N 365.474 1.344 0 50 FDAA O=C(Cc1cn2ccsc2n1)N1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2 91594834 DXKIKHQGMRUWFL-DZGCQCFKSA-N 368.466 1.856 0 50 FDAA COCCN(C[C@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)C(C)=O 95509027 HZRJJDYDYIDXIK-KRWDZBQOSA-N 358.482 1.930 0 50 FDAA CCc1nc(C)sc1C(=O)N=c1cc(C)[nH]n1[C@H]1CCS(=O)(=O)C1 334159126 AOYOROJVJUVDAZ-NSHDSACASA-N 368.484 1.553 0 50 FDAA COc1ccc2[nH]c(C(=O)N3CC[C@@H](CS(N)(=O)=O)C3)c(C)c2c1 426582769 HDLNSVIOFZAPAF-LLVKDONJSA-N 351.428 1.236 0 50 FDAA O=C(NCc1nc(-c2ncccn2)no1)[C@@H]1CCOc2ccccc2C1 95516370 OEMWWYUUNVSMAF-CYBMUJFWSA-N 351.366 1.784 0 50 FDAA O=C(CNS(=O)(=O)Cc1c(F)cccc1F)N1CCc2ccccc21 161948935 OFULLUZCSZGGHN-UHFFFAOYSA-N 366.389 1.974 0 50 FDAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(Cc1nc(C)no1)CC2 95381186 UQRHSEQQZVKLFP-UHFFFAOYSA-N 357.418 1.004 0 50 FDAA CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cc(-c2cccn2C)n[nH]1 91690466 DWGSOYUFEXVJBH-UHFFFAOYSA-N 368.422 1.985 0 50 FDAA Cc1n[nH]c(C2CCN(C(=O)Nc3ccc(S(C)(=O)=O)cc3)CC2)n1 95510563 TYLVLZNUZWEOCT-UHFFFAOYSA-N 363.443 1.928 0 50 FDAA C[C@@H]1CCc2n[nH]c(C(=O)N3CCC4(CCC(=O)N(CCO)C4)CC3)c2C1 91848983 FIUZFEIWIXUTFC-CQSZACIVSA-N 374.485 1.372 0 50 FDAA CC(=O)N1C[C@H]2CN(Cc3nccn3Cc3ccccc3)C[C@@]2(C(=O)O)C1 96165133 ORCYJPPZYLMPHD-YLJYHZDGSA-N 368.437 1.296 0 50 FDAA O=C(O)c1cccc(N2CC[C@]3(CCCN(C4CCOCC4)C3=O)C2)n1 91304907 VKBDJBLHDHLPCD-LJQANCHMSA-N 359.426 1.778 0 50 FDAA O=C(NC1CC1)c1ccc(S(=O)(=O)N2CC(N3CCCCC3)C2)cc1 91586303 YBPVKFGYESCDPT-UHFFFAOYSA-N 363.483 1.438 0 50 FDAA CC(=O)Nc1ccc(CNC(=O)CN2CCC[C@@H](c3nc(C)n[nH]3)C2)cc1 244866707 WBATXHCGYMYRIY-MRXNPFEDSA-N 370.457 1.567 0 50 FDAA COc1ccc(CCNC(=O)CN2CCN(c3ccnc(C)c3)CC2)cc1 252478191 AFIDJDLYBOGMAZ-UHFFFAOYSA-N 368.481 1.880 0 50 FDAA Cc1ccc(-c2noc([C@@H](C)NC(=O)N3CCN(CCCO)CC3)n2)cc1 534655888 XDKIPNINWRHOII-OAHLLOKOSA-N 373.457 1.816 0 50 FDAA CSCC[C@@H](NC(=O)C(=O)N1CCOCC1)c1nc2ccccc2[nH]1 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KNWCHMZITQSMKI-MCIONIFRSA-N 356.463 1.821 0 50 FDAA CC(C)CS(=O)(=O)CCNC(=O)c1cc(-c2ccc(O)cc2)n[nH]1 91643646 RUIBZLOJCZYDLH-UHFFFAOYSA-N 351.428 1.583 0 50 FDAA Cn1c(=O)n(C)c2cc(S(=O)(=O)NC[C@@H]3Cc4ccccc43)ccc21 195256008 DWRRSYNULYHNQO-ZDUSSCGKSA-N 357.435 1.495 0 50 FDAA CNC(=O)c1cccc(NC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)c1 195220750 KWYLPSSTKPTRSU-OAHLLOKOSA-N 352.394 1.973 0 50 FDAA CN1CCC(C(=O)N2C[C@H](Cc3ccnc4ccccc34)[C@@H](O)C2)CC1 1615739447 LEYPRCQJOFQBSM-PXNSSMCTSA-N 353.466 1.938 0 50 FDAA CCOc1ccccc1-c1nnc(NC(=O)[C@@H]2CCCN(CC(N)=O)C2)o1 1506401465 RSYRBTNXYHABOF-GFCCVEGCSA-N 373.413 1.271 0 50 FDAA COc1ccc(CNC(=O)C2CCN(Cc3nc(C(=O)O)co3)CC2)cc1 1529119335 UTEBFAIMJVAGCV-UHFFFAOYSA-N 373.409 1.910 0 50 FDAA Cn1ccc(NC(=O)CN(Cc2cccnc2)[C@@H]2CN3CCC2CC3)n1 1529141532 PGIGQGYTYRGMTL-QGZVFWFLSA-N 354.458 1.350 0 50 FDAA COc1ccnc(N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2c(C)noc2C)n1 213051255 ODXVZWCQKGQCLF-KGLIPLIRSA-N 357.414 1.717 0 50 FDAA COC[C@H](O)CNC(=O)c1c(N(C)C)noc1-c1ccc(F)c(OC)c1 1704315554 JZORMAXMILDVDJ-LLVKDONJSA-N 367.377 1.292 0 50 FDAA CN(C)CCN(C)C(=O)c1c(N2CCOCC2)noc1-c1ccccc1 1704309354 RMKPZKPINJYIFD-UHFFFAOYSA-N 358.442 1.812 0 50 FDAA CC[C@H](C(=O)N1CCCN(c2ccncc2F)CC1)N1CCOCC1 1772811629 VURWABKYFOZOEH-MRXNPFEDSA-N 350.438 1.370 0 50 FDAA Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@H](C4(O)CC4)C3)ccc21 1772811834 YKMGQJNMIGCEEP-NSHDSACASA-N 352.412 1.057 0 50 FDAA COc1cc(C)c(S(=O)(=O)N2C[C@@H]3CNC(=O)C[C@@H]3C2)c(C)c1C 1775981187 QQOGNRWGUCSVSW-KGLIPLIRSA-N 352.456 1.377 0 50 FDAA Cc1cnc(CNC(=O)c2cn(C[C@H]3COc4ccccc4O3)nn2)cn1 12586040 MRFFRAXWXHPRSN-AWEZNQCLSA-N 366.381 1.147 0 50 FDAA CCn1nc(C(=O)NCc2ccncc2)c2c1CC[C@H](N(C)CCOC)C2 14746465 SWKKNJZUFYCBMB-INIZCTEOSA-N 371.485 1.664 0 50 FDAA CN1CCNC(=O)[C@@H]1CC(=O)NCC(c1ccccc1)c1ccccc1 15061591 BYYAWISSDINOHM-IBGZPJMESA-N 351.450 1.755 0 50 FDAA CN(C[C@@H](O)c1ccccc1)C(=O)Cn1nnnc1CN1CCCCCC1 15069682 VSEPGIJJHRWDMT-QGZVFWFLSA-N 372.473 1.241 0 50 FDAA C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(CN2CCOCC2)n1C 19799167 ORBZXFKHWKXSGN-KGLIPLIRSA-N 367.519 1.434 0 50 FDAA CNC(=O)c1ccc(S(=O)(=O)N(CCN(C)C)C2CCCCC2)cc1 152194207 NKEPHOJRRCYXKJ-UHFFFAOYSA-N 367.515 1.931 0 50 FDAA CCOC(=O)c1[nH]cnc1C(=O)N1CCC2(CC1)C[C@H](O)C[C@H](CC)O2 1857671365 UVBORLNNJUDTOD-OLZOCXBDSA-N 365.430 1.511 0 50 FDAA COCCC[C@@]1(CO)CN(C(=O)c2cnc(O)c3ccccc23)CC[C@H]1O 1857733124 WKAWVQUSYIPHAZ-XLIONFOSSA-N 374.437 1.553 0 50 FDAA Cc1cccc(C(=O)N2CCC(C3CCN(S(C)(=O)=O)CC3)CC2)n1 1857737221 BSDOBLNOYIQJDU-UHFFFAOYSA-N 365.499 1.914 0 50 FDAA CCCc1nnc(N2C[C@@H](C(=O)NCCCc3ccccn3)CC2=O)s1 1857737473 NTHVGABKWUFPTR-ZDUSSCGKSA-N 373.482 1.988 0 50 FDAA CC(C)(Oc1cccc2ccccc12)C(=O)N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1875247499 XIWBPWXKNIVVBS-JOCBIADPSA-N 357.406 1.641 0 50 FDAA O=C1C[C@H](C(=O)N2CCC(O)(C(F)F)CC2)CN1Cc1ccccc1 331456316 JAKSTAJSLZRDOX-AWEZNQCLSA-N 352.381 1.654 0 50 FDAA C[C@]1(C(=O)NC[C@@H](O)COc2ccccc2Br)CCNC1 237762718 YMLKRYYTNCZHJW-ABAIWWIYSA-N 357.248 1.305 0 50 FDAA COCCC(=O)N1CCC(NC(=O)c2ccc(Br)cn2)CC1 158399074 CNLHDXBOEHZFOK-UHFFFAOYSA-N 370.247 1.601 0 50 FDAA O=C(O)CNC(=O)Cc1ccc(NC(=O)[C@H]2OCCc3ccccc32)cc1 262759840 IZXZQDKOZBIGQU-IBGZPJMESA-N 368.389 1.682 0 50 FDAA CNC(=O)OC[C@H]1CCCCN1C(=O)c1csc(-c2cnn(C)c2)n1 809267066 CKJUQBRRBYNMPD-GFCCVEGCSA-N 363.443 1.894 0 50 FDAA CCN1CCO[C@@H](CNc2cc(NC3CC3)ncn2)[C@@H]1c1cncn1C 952853004 VFNOFCONYZJDRT-YJBOKZPZSA-N 357.462 1.658 0 50 FDAA Cc1cccc2[nH]cc(CCC(=O)N3C[C@@H]4COCC[C@]4(C(N)=O)C3)c12 952850365 LQPWQBMIKXVOOQ-QRWLVFNGSA-N 355.438 1.759 0 50 FDAA C[C@@]1(c2ccc(F)c(F)c2)C[C@H]1C(=O)NC1CC(NS(C)(=O)=O)C1 1875252665 VIFFUGZXZFJYQF-MDWCYXOMSA-N 358.410 1.439 0 50 FDAA NC[C@]1(c2ccccc2)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)c(F)c2)C1 1875340933 ZRWFSWGRGFKSNP-RIFZZMRRSA-N 357.429 1.576 0 50 FDAA CCO[C@@H]1C[C@@H]1C(=O)N1CC[C@H](C)N(c2ccnc3nc(C)nn23)CC1 1875407355 XTCCLLCGRSTCSB-AEGPPILISA-N 358.446 1.285 0 50 FDAA NC(=O)[C@@H]1CC[C@H](C(=O)NCCc2ccccn2)N1Cc1ccccc1 878001281 VOKRKNRKNNTPGG-ZWKOTPCHSA-N 352.438 1.259 0 50 FDAA O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1CC(c2cc(CO)on2)C1 886085677 KFWWWWKOZZMIIX-NSHDSACASA-N 359.357 1.285 0 50 FDAA Cc1cc(C(=O)N2CC[C@H](c3cc(O)nc(N4CCCC4)n3)C2)nn1C 888095228 UNIZWKFTACMEDL-ZDUSSCGKSA-N 356.430 1.454 0 50 FDAA COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC)[C@H]1c1cccc(OC)c1 4039340 JHKZXOLSVSSHII-BORJPKMPSA-N 350.367 1.081 0 50 FDAA biogenic O=C(CS(=O)(=O)CCC(F)(F)F)N1CC2(CCCC2)CC[C@@H]1CO 2325781162 QYQOUDSEEADNPX-GFCCVEGCSA-N 371.421 1.897 0 50 FDAA O[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1N=c1nn[nH]n1-c1ccccc1 2325786022 YQFQONPMGQQWSL-KCPJHIHWSA-N 359.821 1.186 0 50 FDAA CC(C)(C)CNC(=O)c1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O 2325887145 WCMGDKJJKIYSDM-CQSZACIVSA-N 357.410 1.224 0 50 FDAA COc1ccc(N(CC(=O)N2CCCCCC2)S(C)(=O)=O)cc1OC 879031 PKORADVJILXXGT-UHFFFAOYSA-N 370.471 1.872 0 50 FDAA O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)NCCCO 2993517 YTTKEPFDLBWBFE-UHFFFAOYSA-N 372.462 1.648 0 50 FDAA COCCN1CCC[C@@]2(CCCN2S(=O)(=O)c2ccccc2)C1=O 2356167619 VRWIOFDBOYPTGI-QGZVFWFLSA-N 352.456 1.479 0 50 FDAA Nc1nc(CN2CCN(c3ccccn3)CC2)nc(N2CCCCC2)n1 10338435 TVVFAVGKFLBXRK-UHFFFAOYSA-N 354.462 1.161 0 50 FDAA CNC(=O)[C@H](C)NC(=O)c1cc(COc2ccc(OC)cc2Cl)[nH]n1 67803720 WIAPZNNDSJSPLI-VIFPVBQESA-N 366.805 1.515 0 50 FDAA O=C(c1ccc(N2CCOCC2)nc1)N1CCC(Oc2cccnc2)CC1 67803448 MZRFOEMRSIBNLT-UHFFFAOYSA-N 368.437 1.997 0 50 FDAA Cc1nc(NCCNS(=O)(=O)c2cc(F)ccc2F)cc(N(C)C)n1 65362750 CUDMKTXGMOLBBC-UHFFFAOYSA-N 371.413 1.520 0 50 FDAA C[C@@H]1C[C@@H](C(=O)O)CN(C(=O)NCc2cc(F)cc3c2OCOC3)C1 422584946 AXTQXYIFJABQEV-ZYHUDNBSSA-N 352.362 1.944 0 50 FDAA C[C@@H](CN(C)C1CCN(CCc2ccccn2)CC1)CS(C)(=O)=O 119316720 FCKLIOOIZULLEH-INIZCTEOSA-N 353.532 1.701 0 50 FDAA O[C@H]1CCCN(c2ccnc(NCc3csc(-c4ncccn4)n3)n2)C1 65370715 GJIVSPMSZDVWDL-ZDUSSCGKSA-N 369.454 1.963 0 50 FDAA O=C(NC1CCCC1)c1cn(C2CCN(C(=O)c3cccnc3)CC2)nn1 67878702 KXNVBJNTPXMYQN-UHFFFAOYSA-N 368.441 1.823 0 50 FDAA CC(C)CN1CCN(C(=O)c2cc(=O)n(-c3ccccc3)[nH]2)C[C@@H]1CCO 72468645 FCPMEECHVFNLNM-KRWDZBQOSA-N 372.469 1.330 0 50 FDAA O=C(c1c[nH]c(=O)[nH]c1=O)N1CCC[C@H]1c1nc(-c2ccccc2)no1 77427656 DJDIVPAYRPUSOG-LBPRGKRZSA-N 353.338 1.091 0 50 FDAA COCCCn1cnnc1[C@H](C)NC(=O)c1cccc(-n2nnnc2C)c1 215566851 ZBYRHVOSYGKQSR-LBPRGKRZSA-N 370.417 1.090 0 50 FDAA Cc1cc(N2C[C@@H](C(=O)N3CCN4C(=O)N=C(O)[C@H]4C3)CC2=O)ccc1F 329378172 MJYLVAAGPAVGHK-SMDDNHRTSA-N 374.372 1.090 0 50 FDAA CC(C)C[C@@H](NC(=O)C(=O)N1CCc2ccccc2C1)c1ncnn1C 71761025 TZEZQSSPLLFAFN-MRXNPFEDSA-N 355.442 1.603 0 50 FDAA COCCNC(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NC(C)(C)C)CO2 71764498 YOJMKKRPXBGSRF-CQSZACIVSA-N 363.458 1.565 0 50 FDAA COC(=O)c1ccc(OC)c(-n2ccnc2-c2cc3n(n2)CCNC3)c1 72479220 KHWRHVLQZCAQAU-UHFFFAOYSA-N 353.382 1.634 0 50 FDAA CC(C)Cc1cc(C(=O)N2CCc3c(nc(N(C)C)nc3N(C)C)C2)on1 71754123 IMRCVBDZFITQCY-UHFFFAOYSA-N 372.473 1.994 0 50 FDAA COCCn1cc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(OC)cc2)cn1 363223830 KFALNOZKKZMFOZ-WMZOPIPTSA-N 372.425 1.696 0 50 FDAA C[C@@H]1COCCN(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)C1 363446186 HJCDFICIWYZZJJ-INIZCTEOSA-N 364.465 1.626 0 50 FDAA C[C@H](C(=O)N[C@H]1CCN(C2CCOCC2)C1=O)n1cnc2ccccc21 363955155 YNEXLYQPTGUSLW-CJNGLKHVSA-N 356.426 1.493 0 50 FDAA C[C@@H](CNS(=O)(=O)c1cccc(C(=O)N(C)C)c1)Oc1cccnc1 215408610 ANYKSLHIMBGSRT-ZDUSSCGKSA-N 363.439 1.529 0 50 FDAA CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N)cccc3nc2-1 37866089 FUXVKZWTXQUGMW-FQEVSTJZSA-N 363.373 1.662 0 50 FDAA biogenic,investigational Cc1nn(CC(=O)N(C)[C@@H](C)c2ccon2)c(=O)n1CCc1ccccc1 77375184 HIOHABVLZPGCEU-AWEZNQCLSA-N 369.425 1.804 0 50 FDAA CC(C)CCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2ccno2)[C@H]3C1=O 77407131 BQOHXUBNBQZYAB-FPXQBCRKSA-N 359.426 1.461 0 50 FDAA COC(=O)C1(CSc2nnc(N3CCOCC3)n2CC(C)C)CC1 239653742 BLADTFKNVABPJV-UHFFFAOYSA-N 354.476 1.816 0 50 FDAA COCCNC(=O)[C@H]1CCCN(C2CCN(c3nccnc3C)CC2)C1 71388525 RXQURMJFIKRMEB-INIZCTEOSA-N 361.490 1.228 0 50 FDAA C[C@H]1COCC[C@H]1CNC(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 376532234 KGCLVGQFTPYVLE-GJZGRUSLSA-N 373.519 1.259 0 50 FDAA Cc1ncc(CC(=O)N2CCC([C@H](O)CCc3ccccc3)CC2)c(=O)[nH]1 77437896 NCWPIDDHZDTVFT-LJQANCHMSA-N 369.465 1.853 0 50 FDAA C[C@@H]1C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CCN1 262961875 WRMNIISVRYNFKC-LZQZEXGQSA-N 366.465 1.679 0 50 FDAA Cn1cc(-c2ccc(C(=O)Nc3cnn(CCN4CCOCC4)c3)o2)cn1 449838356 DZTYWOICDNQUDQ-UHFFFAOYSA-N 370.413 1.461 0 50 FDAA Cc1nc(CNC(=O)[C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)no1 223325169 OHFJLRTURPIEEZ-JTQLQIEISA-N 355.320 1.935 0 50 FDAA Cc1cccc(=O)n1CCC(=O)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 426486153 XLESDILCQZDPEE-OAQYLSRUSA-N 371.481 1.798 0 50 FDAA COc1cccc(-c2ncc(CNC(=O)N[C@@H]3CCNC[C@H]3O)s2)c1 426552414 XZGDLZBMZIZRCU-HUUCEWRRSA-N 362.455 1.341 0 50 FDAA Cc1cnccc1N1CCCN(C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)CC1 426538302 FGLKOBJIAZBCEX-MRXNPFEDSA-N 371.485 1.623 0 50 FDAA CN1CCN(Cc2nnc(C3CCN(c4ccncc4F)CC3)n2C)CC1 96153294 MROIXCXZJUIYPX-UHFFFAOYSA-N 373.480 1.481 0 50 FDAA COCCC[C@@]1(C(=O)O)CCCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)C1 91585907 CICXDENCYIUVNQ-SFHVURJKSA-N 365.430 1.049 0 50 FDAA Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(C(=O)c2ncccc2O)C1 95392492 JQMUPJATSPOSLS-CYBMUJFWSA-N 367.413 1.180 0 50 FDAA COCCCN1CC2(CCC1=O)CCN(C(=O)[C@H](C)n1ccnc1)CC2 91895079 SGDCJQJLCVAUGL-INIZCTEOSA-N 362.474 1.712 0 50 FDAA Cc1cc2c(cc1CN1C[C@@H](CN3CCOCC3)[C@@H](CO)C1)OCCO2 91474151 MFIQTRZWMUOBLT-QZTJIDSGSA-N 362.470 1.139 0 50 FDAA Cc1cc(=O)n(CC(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc(F)cc3)C2)nc1C 92004636 QVKNOWCOUNFACJ-JKSUJKDBSA-N 373.384 1.326 0 50 FDAA CN1CC[C@]2(CCC1=O)CN(C(=O)c1ccc3c(c1)OCO3)CCN2C 92037362 HHHLGESBVSFMOT-LJQANCHMSA-N 359.426 1.184 0 50 FDAA CCCN1CCC[C@]2(CCN(c3nc4c(cc3C(N)=O)CCC4)C2)C1=O 91364903 KNZOZXFYOYIEPS-HXUWFJFHSA-N 356.470 1.898 0 50 FDAA CCc1n[nH]c(SCC(=O)N2CCC(CN3CCOCC3)CC2)n1 91997097 BDVAACBTHMEKHE-UHFFFAOYSA-N 353.492 1.030 0 50 FDAA CO[C@H]1CCCOC12CCN(C(=O)CN1C(=O)COc3ccccc31)CC2 95512896 MGXYCVJRACFMDY-KRWDZBQOSA-N 374.437 1.599 0 50 FDAA COC(=O)N[C@H](C)C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1 95504785 CPGYJTAWKPJRFG-CQSZACIVSA-N 371.441 1.777 0 50 FDAA CN(Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)C[C@H]1C(=O)N(C)C(=O)N1C 91944013 BGOMTBQPNOSHLF-AWEZNQCLSA-N 373.388 1.457 0 50 FDAA CSCCN(C)S(=O)(=O)c1cccc(C(=O)N2CCN[C@@H](C)C2)c1 97775919 HTVDQKMZJQRKIA-ZDUSSCGKSA-N 371.528 1.104 0 50 FDAA Cc1ccccc1-n1ncc([C@@H](C)NC(=O)Cn2ccc(=O)[nH]c2=O)c1C 91663530 BAUFGOIWTNXASV-CYBMUJFWSA-N 367.409 1.217 0 50 FDAA CN(Cc1nc(-c2ccncc2)no1)C(=O)[C@@H]1CSC(C)(C)C(=O)N1 95383745 WGEOMZBXKXIZAP-NSHDSACASA-N 361.427 1.100 0 50 FDAA COc1ccc([C@@H](NC(=O)CCN2CCOCC2)[C@H]2C[C@@H](O)C2)cc1F 244734990 NRBKFDQXEUKOKQ-ZRGWGRIASA-N 366.433 1.485 0 50 FDAA CCS(=O)(=O)CC(=O)N[C@@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1 244778656 PUIQWZMQEBPOFW-QIIPPGSGSA-N 362.451 1.598 0 50 FDAA CCCc1nnc(NC(=O)CN(C)Cc2cccc(-c3nnn[nH]3)c2)s1 244774175 PPDSJZZLSDXKJH-UHFFFAOYSA-N 372.458 1.741 0 50 FDAA COc1ccccc1CCN1C[C@@H](C(=O)NCCc2c[nH]cn2)CC1=O 253396149 AVCOEKLWXHAOEL-HNNXBMFYSA-N 356.426 1.168 0 50 FDAA biogenic COC(=O)[C@H]1N[C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 526056075 OVNVCTFDFZCLAC-MLHJIOFPSA-N 364.401 1.987 0 50 FDAA C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cnc3c(c2)nnn3C)CC1 183444171 BREJNBLULVXEIV-ZDUSSCGKSA-N 365.441 1.714 0 50 FDAA CC(C)Cc1ccc(C(=O)N[C@@H]2CCN(CC(=O)N(C)C)C[C@H]2O)cc1 299800312 VVAQQWDAXAEOIL-QZTJIDSGSA-N 361.486 1.138 0 50 FDAA CN1CCN(CC[C@H]2CCCCN2C(=O)c2cccnc2N(C)C)CC1 299783278 ZYOFBRFQGCIHJF-QGZVFWFLSA-N 359.518 1.780 0 50 FDAA O=C(CCn1cnc2ccccc21)NCCc1nc(-c2cccnc2)n[nH]1 299773421 AONRLUYCHBRELW-UHFFFAOYSA-N 361.409 1.965 0 50 FDAA CCOC(=O)[C@@H]1C(=O)C(F)(F)CN(Cc2ccccc2)[C@@H]1C(=O)OCC 390822720 HXPWCBUJDZSZNB-KBPBESRZSA-N 369.364 1.818 0 50 FDAA CCN1CCN(C(=O)c2ccc(-c3nc(N)c4cnn(C)c4n3)cc2)CC1 584895809 AQSQVVJGOKXHSW-UHFFFAOYSA-N 365.441 1.390 0 50 FDAA CC(=O)N1CCC(C(=O)NC[C@H]2CCCN(C(=O)C3CC=CC3)C2)CC1 952964009 MBPGBKBIDWQWRD-MRXNPFEDSA-N 361.486 1.566 0 50 FDAA C[C@H](NC(=O)[C@@H]1CCCN(CC(N)=O)C1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 952869715 LTEQYPYEIQMTSU-XBSIGOBVSA-N 363.502 1.020 0 50 FDAA CC(C)n1cc(NC(=O)N2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)nn1 1565505662 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SPUZFELOIUMXSO-CYBMUJFWSA-N 357.332 1.708 0 50 FDAA O=C(NCCc1csc(-c2ccncc2)n1)c1cn2c(n1)CNCC2 72130649 LXVUIPUWXIUNHW-UHFFFAOYSA-N 354.439 1.477 0 50 FDAA CCn1c(CN(C)C)nnc1C1CCN(C(=O)C2(C)CCNCC2)CC1 77343002 HUCSBAKBGOHBSZ-UHFFFAOYSA-N 362.522 1.455 0 50 FDAA CN(C)CCN(C)[C@@H]1CCCN(C(=O)c2ccc(-n3cnnc3)cc2)C1 72130848 URGIILJDFHRSBN-GOSISDBHSA-N 356.474 1.365 0 50 FDAA Cc1cnn(CC(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(=O)O)cc2)c1 219741563 IIXMMJRSJXZHOO-HZPDHXFCSA-N 359.382 1.242 0 50 FDAA O=C1CC[C@]2(CCCN(C(=O)c3c[nH]c(=O)cc3O)C2)CN1CC1CC1 77355438 YHCSASRXHQTLAQ-IBGZPJMESA-N 359.426 1.335 0 50 FDAA CCC(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@@H]1CC(=O)c1cnn(C)c1 156595631 SWSOUXXZHMXTKI-HZPDHXFCSA-N 360.458 1.775 0 50 FDAA CCS(=O)(=O)Nc1ccc(C(=O)N2CCC[C@@]3(CNC(=O)O3)C2)cc1 219841520 SVROBBHFOZNPQV-MRXNPFEDSA-N 367.427 1.163 0 50 FDAA COc1cc(CN2CC[C@@H](NC(=O)c3ccncc3)[C@H](O)C2)ccc1F 77300362 IHACEKHNSOBTTE-IAGOWNOFSA-N 359.401 1.595 0 50 FDAA CCc1n[nH]c(C(=O)N2CCc3c(nc(N(C)C)nc3N(C)C)C2)c1C 72159168 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CC1(C)CN(C(=O)CCCc2cn[nH]c2)CC[C@@]1(O)CN1CCOCC1 91656260 OEKKUXJSLDUWLU-LJQANCHMSA-N 364.490 1.054 0 50 FDAA Cc1nc2ccccc2c(O)c1CCC(=O)N1CCN(CCCO)CC1 252507749 WTKPGHOGBJEYGF-UHFFFAOYSA-N 357.454 1.708 0 50 FDAA O=C(Cc1cnc(O)nc1O)N1C[C@H]2CC[C@@H](C1)N(Cc1ccccc1)C2 1073379387 OBOWTAANQNHBPI-RDJZCZTQSA-N 368.437 1.553 0 50 FDAA Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC1(C(=O)O)CCOCC1 252505674 VSNKREZVZMJXEB-UHFFFAOYSA-N 361.373 1.992 0 50 FDAA COc1ccc(CNC(=O)C[C@@H]2NC(=O)N(Cc3ccco3)C2=O)cc1 263586434 ULOBOTNQFOALOM-HNNXBMFYSA-N 357.366 1.415 0 50 FDAA biogenic CCCN(CCC)Cc1ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)cc1 55359171 SPMXLFWGNDMXQA-HNNXBMFYSA-N 350.415 1.966 0 50 FDAA CCN1CCCC[C@@H]1C(=O)N1CCc2c(c(C(=O)O)nn2CC2CC2)C1 67587437 FBKRIYIGSAILEH-MRXNPFEDSA-N 360.458 1.750 0 50 FDAA Cc1ccnc(SCC(=O)NC2CCN(C(=O)N3CCCC3)CC2)n1 299796511 ONIZDOSGOVMODF-UHFFFAOYSA-N 363.487 1.674 0 50 FDAA CN1CCC2(CC1)CCN(C(=O)Nc1cccc(S(N)(=O)=O)c1)C2 299802230 YEUGNFYQNIGPQR-UHFFFAOYSA-N 352.460 1.284 0 50 FDAA 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COC(=O)[C@@H](CCSC)NC(=O)CN1Cc2ccccc2O[C@@H](C)C1 299789467 VQAOBYXDXRQKRD-DZGCQCFKSA-N 366.483 1.680 0 50 FDAA COc1ccccc1OC1CN(c2nccc(N3CCC[C@@H](O)C3)n2)C1 65497032 LXZNIRINOOHEAS-CQSZACIVSA-N 356.426 1.714 0 50 FDAA CC1(C)SC[C@@H](C(=O)N2CCCN(Cc3cccnc3)CC2)NC1=O 299776021 JWVBGDNOPHEGTF-HNNXBMFYSA-N 362.499 1.126 0 50 FDAA CCn1cnnc1CCNC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 299763915 YYSYOZIGJPWNFS-QGZVFWFLSA-N 357.458 1.248 0 50 FDAA COc1cc(OC)c(CN2CC[C@@H]3OCc4cnnn4[C@H]3C2)c(OC)c1 299789767 ASHAEPRGSIUHIB-HOTGVXAUSA-N 360.414 1.650 0 50 FDAA C[C@H](CN1CCCC1)c1nc(CC(N)=O)nn1-c1ccc2c(c1)CCC2 826842132 KNDZLOOHAJIKOY-CQSZACIVSA-N 353.470 1.983 0 50 FDAA CCCn1cnnc1CN(C)C(=O)N[C@H]1COc2c(cccc2OC)C1 584888329 LFGCGLJUSBKOLM-CQSZACIVSA-N 359.430 1.842 0 50 FDAA COc1ccc(C(=O)NCCSc2cnn[nH]2)cc1N1CCOCC1 670449738 WADQEJYDTRHKRN-UHFFFAOYSA-N 363.443 1.172 0 50 FDAA CC(C)Cc1nc([C@H](c2ccccc2)n2cnnn2)n(CC(C)(C)O)n1 952866698 DQVCLQVVVPJFAJ-INIZCTEOSA-N 355.446 1.872 0 50 FDAA Cc1cc(C)c2nonc2c1S(=O)(=O)N(C)C[C@H]1CCCCN1C 952981613 JIBJEFBPCDZPBU-CYBMUJFWSA-N 352.460 1.944 0 50 FDAA CCOCC(=O)N1CCC(C(=O)Nc2ccc(Oc3nn[nH]n3)cc2)CC1 952971956 YTHHAWRJUTZQJX-UHFFFAOYSA-N 374.401 1.206 0 50 FDAA Cc1ccc(OCCS(=O)(=O)N2CCN(CC(C)C)C(=O)[C@H]2C)cc1 952982183 QMJQXRXMLNNHDN-MRXNPFEDSA-N 368.499 1.892 0 50 FDAA O=C(CN1CCc2ccccc2C1)N[C@H]1COCC[C@@H]1Oc1ccccn1 1565531279 JVZNOKJMFASLTO-OALUTQOASA-N 367.449 1.792 0 50 FDAA Cc1ccsc1S(=O)(=O)N1C[C@H](C(C)C)[C@@H](NC(=O)N(C)C)C1 1565515177 ZEIZYRXXPNZFLZ-OLZOCXBDSA-N 359.517 1.973 0 50 FDAA C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC(=O)N1C 409933043 XWFPQJAMKGNEBG-ZETCQYMHSA-N 355.218 1.984 0 50 FDAA CNC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 271002680 KOVZRPKHDCISLH-INIZCTEOSA-N 363.458 1.970 0 50 FDAA CC(C)NS(=O)(=O)Cc1ccc(CNc2ncnc3[nH]ncc23)cc1 301089766 RDQOGGKNVYTBMP-UHFFFAOYSA-N 360.443 1.793 0 50 FDAA Cc1cccc([C@@H](NS(=O)(=O)c2cnn(CC(F)F)c2)C(=O)O)c1 275049450 GHNOXZYAJBBMJU-CYBMUJFWSA-N 359.354 1.561 0 50 FDAA COCc1nsc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)n1 276220751 XVQXUVUHQAAJMB-NEPJUHHUSA-N 366.443 1.064 0 50 FDAA CCOc1cc(NC2CCN(C(=O)NCc3cnn(C)c3C)CC2)ncn1 185893961 HDHQCFRZZXGHJZ-UHFFFAOYSA-N 373.461 1.703 0 50 FDAA COC(=O)[C@H]1CCN2C(=O)N(c3ccc4c(c3)OC(F)(F)O4)C(=O)[C@H]2C1 277930093 DIHCQOOLIVUENB-WCBMZHEXSA-N 368.292 1.728 0 50 FDAA Nc1nc2c(c(C(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)n1)CCCC2 1506404018 QSIIPHMQBUGZOD-QWHCGFSZSA-N 365.437 1.359 0 50 FDAA COC(=O)[C@H]1C[C@@H](C(=O)NCc2cnn(C)c2)[C@@H](c2ccccc2F)N1C 206296220 ILIWFMOAWDJCGA-DJIMGWMZSA-N 374.416 1.410 0 50 FDAA CC(=O)N[C@H]1CN(c2cc(OC(C)C)nc(N)n2)C[C@@H]1c1ccc(C)o1 220201732 ZDSIKPBFVLKITL-KBPBESRZSA-N 359.430 1.856 0 50 FDAA COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 779559 JRZLMAJUZAWBLF-UHFFFAOYSA-N 350.396 1.435 0 50 FDAA Cc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N1CCC(C(=O)O)CC1 1184489 RHAVMTZEXTUZCH-SNAWJCMRSA-N 353.396 1.578 0 50 FDAA Cn1cccc(C(=O)N2CCCN(Cc3ccncc3Cl)CC2)c1=O 1775984087 HJOZUEFFQMAVNW-UHFFFAOYSA-N 360.845 1.782 0 50 FDAA CCCCNC(=O)N1C[C@@H]2CN(C(=O)CSC)C[C@]2(CCC(=O)O)C1 1772808442 QDHXQESYIRDWHX-SUMWQHHRSA-N 371.503 1.484 0 50 FDAA Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)s1 5553914 ITKSPCBWMSXISA-UHFFFAOYSA-N 352.441 1.883 0 50 FDAA O=C(NCCN1CCCCC1=O)[C@@H]1CCC(=O)N(CCc2ccccc2)C1 11661743 CGSMNGVUGMOCOR-GOSISDBHSA-N 371.481 1.596 0 50 FDAA C/C=C(\C)CN1CCc2nnc([C@H](C)NC(=O)C3CCN(C)CC3)n2CC1 11971490 RWYCRDZOWREPOP-UZPPOTPCSA-N 374.533 1.621 0 50 FDAA O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCc2ccccc2)cc1 12002568 RECUSEDHGWGKIK-UHFFFAOYSA-N 358.419 1.861 0 50 FDAA O=C1CCN(C(=O)CCc2nnc(CCCCc3ccccc3)o2)CCN1 12027952 UZQOSHAJUGGQKS-UHFFFAOYSA-N 370.453 1.916 0 50 FDAA CCCc1nnc(N2C[C@H](C(=O)NCCc3ccc(O)cc3)CC2=O)s1 1857674210 XPCWVJLODRCYFX-CYBMUJFWSA-N 374.466 1.908 0 50 FDAA COc1ccccc1-c1ccc(N2CC[C@H](O)[C@@]3(CCCNC3=O)C2)nn1 1857706936 CDPHCYMOXKUQGR-FXAWDEMLSA-N 368.437 1.620 0 50 FDAA O=C(O)CC[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C1 237951853 KBZIMGPYXXVHHN-QWRGUYRKSA-N 350.337 1.501 0 50 FDAA CCc1c(C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)cnn1Cc1ccccc1 366892025 CLJXTSGBDVJOTP-CRAIPNDOSA-N 352.438 1.844 0 50 FDAA CCc1nc(C(=O)N2CCO[C@@H](C(=O)O)C2)nn1-c1ccccc1Cl 485834384 NDIRIZVPNBGGND-GFCCVEGCSA-N 364.789 1.409 0 50 FDAA Cn1cc(CN2CCC(c3ncc(C(=O)N4CCOCC4)o3)CC2)cn1 952852601 FJXAHTRZMLNUFW-UHFFFAOYSA-N 359.430 1.260 0 50 FDAA CN(C)c1n[nH]c([C@@H]2C[C@@H](O)[C@@H](CNCc3cccc4c3OCO4)C2)n1 952890724 YULJQCYDAYNKKN-BFHYXJOUSA-N 359.430 1.244 0 50 FDAA CN(CC1(O)CC1)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F 1875298139 PHACTFZFTDDSDT-UHFFFAOYSA-N 373.374 1.126 0 50 FDAA Cc1cc2nc[nH]c(=NC/C=C/CNC(=O)[C@H](C)N3CCSCC3)c2[nH]1 1875327931 QCAIJVOOMLLBCZ-XGACYXMMSA-N 374.514 1.210 0 50 FDAA Cn1nc(C(=O)N2CC3(CC(S(C)(=O)=O)C3)C2)cc1C1CCCC1 1875308614 OHRVGUJAISAGPK-UHFFFAOYSA-N 351.472 1.727 0 50 FDAA CC(C)C(=O)N1CCC[C@H](CCNc2nc[nH]c3ncc(C(N)=O)c2-3)C1 1875339826 ZQJUUJVIVVXQNY-GFCCVEGCSA-N 358.446 1.705 0 50 FDAA CCN=c1[nH]cc(C(=O)N2CCC[C@]23CCC[S@@](=O)(=NC)C3)s1 1875395390 CFVJTSNSBYLSTE-CMJOXMDJSA-N 356.517 1.863 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1ccc(-c2cn[nH]c2)cc1 1875402358 DNEKPGOWGKAVQK-FSPWUOQZSA-N 351.410 1.843 0 50 FDAA COc1ncccc1C(=O)N1CC[C@H](Oc2ccnc(CN(C)C)c2)C1 886094913 HJJFCSPDVZUASN-INIZCTEOSA-N 356.426 1.840 0 50 FDAA Cn1nc(C[C@H]2CCCC[C@H]2NC(=O)CC2CCOCC2)n(C)c1=O 888098952 NXXPPDKFOQJHEG-HUUCEWRRSA-N 350.463 1.153 0 50 FDAA CCN1C(=O)C[C@H](C(=O)N[C@@H]2C[C@H]2c2cncn2C)[C@H]1c1cnn(C)c1C 888100793 UMZFMUCNMNFLML-OSDKZWGASA-N 370.457 1.044 0 50 FDAA Cn1cnc2cnc(NC3CCN(S(=O)(=O)c4ccccc4)CC3)nc21 2100539682 TZPAGCLMPAJVFO-UHFFFAOYSA-N 372.454 1.629 0 50 FDAA c1cnnc(N2CCN(Cc3cn(-c4ccc5[nH]ccc5c4)nn3)CC2)c1 2325801798 WUMQTKLIIJZIAT-UHFFFAOYSA-N 360.425 1.861 0 50 FDAA CCN(C)CC(=O)N[C@@H](C)C[C@@H](C)NC(=O)Cc1cc(C2CC2)on1 2325868133 PRBMLSUREKFLKW-OLZOCXBDSA-N 350.463 1.446 0 50 FDAA C=CC(=O)N1CCC(C(=O)N2CCOc3ccccc3[C@@H]2C(=O)OC)CC1 2325885453 DMTSMVZZMKSGJM-GOSISDBHSA-N 372.421 1.546 0 50 FDAA Cc1c(CC(=O)N2CCC(C(N)=O)CC2)c(=O)oc2c(C)c(O)ccc12 2111513 IZMXYROGLVEJQD-UHFFFAOYSA-N 358.394 1.382 0 50 FDAA biogenic CCn1cnc(CNC(=O)[C@H]2OCC(=O)N(C(C)C)[C@@H]2c2ccccc2)c1 2356150298 VZZRTJZRWOFUHI-MOPGFXCFSA-N 370.453 1.896 0 50 FDAA OC1CCN(c2cc(N3CC[C@@H](c4ccccc4)[C@H](O)C3)ncn2)CC1 2356155185 ASRYJHSADNDTCS-ZWKOTPCHSA-N 354.454 1.793 0 50 FDAA O=C(NC[C@H]1CCc2nc(C(F)(F)F)cn2C1)c1ccc2nn[nH]c2n1 416210464 QKBCASFOCROGMH-MRVPVSSYSA-N 365.319 1.561 0 50 FDAA NC(=O)COc1ccccc1CN1CCN(Cc2ccccc2CO)CC1 55228662 VDIJELNSKITEBH-UHFFFAOYSA-N 369.465 1.361 0 50 FDAA C[C@H](C(=O)N(C)C)N(C)Cc1cccc(C(=O)Nc2ccc[nH]c2=O)c1 67489993 XFNBQIVRTOBTHI-CYBMUJFWSA-N 356.426 1.536 0 50 FDAA COCCN(C)c1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1 67743663 VJQHZCHSEGKXCJ-UHFFFAOYSA-N 374.485 1.639 0 50 FDAA Cc1cn(CCNC[C@]2(O)CCCN(CCC3CCCCC3)C2=O)nn1 67673298 CZIHSGUXAHIWNP-LJQANCHMSA-N 363.506 1.500 0 50 FDAA C[C@@H](CO)Nc1ccc(C(=O)N2CCCN(c3ncccn3)CC2)cn1 67773757 IQAGFNWFZDTRJK-AWEZNQCLSA-N 356.430 1.017 0 50 FDAA CN1CCC2(CC1)CN(C(=O)c1n[nH]c(N)c1-c1ccccc1)CCN2C 67726907 RGEXLBPTOOZOCU-UHFFFAOYSA-N 368.485 1.511 0 50 FDAA CC(=O)N(C)[C@@H]1CCN(C(=O)c2cc(COc3ccc(C)nc3)on2)C1 67909612 GPNMMSMCEDKYCK-CQSZACIVSA-N 358.398 1.650 0 50 FDAA CCC(CC)N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2cnccn2)[C@@H]3C1=O 77406226 GHMZIACKTAYPRV-XLSPSMHOSA-N 370.453 1.406 0 50 FDAA Cc1ccccc1OC[C@@H](O)C(=O)NCc1nnnn1-c1ccccc1 215782261 WLPCPNBQKJLXON-OAHLLOKOSA-N 353.382 1.027 0 50 FDAA O=C(CN1CCC[C@H](O)C1)N1CCCN(C2Cc3ccccc3C2)CC1 72409983 FVXAOQYDWVGBQW-FQEVSTJZSA-N 357.498 1.145 0 50 FDAA Cc1cc(C(=O)N2CCO[C@@H](c3ccnc(N4CCCC4)n3)C2)nc(C)n1 328618325 DPBLACLXGZGYPH-QGZVFWFLSA-N 368.441 1.697 0 50 FDAA CCc1nnc(CN2CCC[C@H](n3ncc(N(C)C(C)C)cc3=O)C2)n1C 328604616 KKFWRVXQGJOYKD-HNNXBMFYSA-N 373.505 1.616 0 50 FDAA C[C@]1(C2CC2)N=C(O)N(CC(=O)N2CCO[C@H](c3cccs3)C2)C1=O 329945288 XFDKBLPULIXUDD-YVEFUNNKSA-N 363.439 1.573 0 50 FDAA COCc1nc2cc(NC(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)ccc2o1 431513532 UYOBUAAMPHMMMR-UHFFFAOYSA-N 366.333 1.756 0 50 FDAA CC(C)Nc1ncc(C(=O)N[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)cn1 72171579 HRXAXEBDFMGGDT-INIZCTEOSA-N 371.416 1.967 0 50 FDAA CSCC(=O)N1CCC[C@H](c2nnc(CN3CCCCC3)n2C)C1 72479663 PQNUFUWONUHJOG-AWEZNQCLSA-N 351.520 1.870 0 50 FDAA CN(C)C(=O)C[C@H](O)c1cc2n(n1)CCN(Cc1ccc(C(=O)O)cc1)C2 218954370 UGXGOYVCISCBMG-KRWDZBQOSA-N 372.425 1.109 0 50 FDAA C[C@H]1COc2ccccc2CN1C(=O)CCn1nc2ccccn2c1=O 374713819 WTGGKZNNGAZNIL-AWEZNQCLSA-N 352.394 1.696 0 50 FDAA Cc1cccc(F)c1S(=O)(=O)N1CCC(n2ncc3c2CNC3)CC1 333621990 UKOAPHPJNHFEKR-UHFFFAOYSA-N 364.446 1.960 0 50 FDAA OC[C@@H]1CCCN1c1cc(N2CCC(Nc3cccnc3)CC2)ncn1 377893242 FBPXJMNFBCBGAS-KRWDZBQOSA-N 354.458 1.914 0 50 FDAA CNCCNC(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71751631 JNZZCKWSNFUNQL-GOSISDBHSA-N 359.518 1.094 0 50 FDAA COc1ccccc1N1CCN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)CC1 378060921 PYPVFVDJPIMXQO-CQSZACIVSA-N 355.442 1.807 0 50 FDAA Cn1c(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCCN)C2)nc2ccccc21 72434886 MTSMFHROAUUHFX-DOTOQJQBSA-N 355.486 1.735 0 50 FDAA O=C(NC1CC1)[C@H]1CCCN(C2CCN(C(=O)Cc3cccnc3)CC2)C1 71780071 BGHRHDQMGGGDQE-KRWDZBQOSA-N 370.497 1.606 0 50 FDAA NC(=O)c1ccc(OCCCN2CCC3(CC2)CN[C@@H](C(=O)O)C3)cc1 72419348 JLAKKGHZKMCHLW-MRXNPFEDSA-N 361.442 1.083 0 50 FDAA NC[C@@H]1CCCCN1S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 237863706 OERMCJLZNGBZDU-JTQLQIEISA-N 353.366 1.525 0 50 FDAA O=C(C[C@@H]1COCCN1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 72424864 JHTQDELRWKRAHW-OAHLLOKOSA-N 372.387 1.894 0 50 FDAA CN1CC[C@H]2OCCN(C(=O)COc3cccc(N4CCCC4=O)c3)[C@@H]2C1 285702338 IVUZTESKFFMYRK-QZTJIDSGSA-N 373.453 1.124 0 50 FDAA COc1cccc(N2C[C@@H](NC(=O)c3cc4c([nH]c3=O)CCC4)CC2=O)c1 220757971 PLEOCCPODZOWAJ-ZDUSSCGKSA-N 367.405 1.408 0 50 FDAA Cc1cc(F)ccc1C(=O)N1CCn2nc([C@@H](O)CC(=O)N(C)C)cc2C1 222347424 WRXSSKYYGJHGJO-KRWDZBQOSA-N 374.416 1.498 0 50 FDAA Cc1nccc(N2CCCn3nc(CCC(=O)N4CCOCC4)cc3C2)n1 82166162 MKYLNGCMZOARAN-UHFFFAOYSA-N 370.457 1.183 0 50 FDAA Nc1cc(O)nc(CCNC(=O)N2CCCC[C@@H]2CCn2cccn2)n1 426730428 OWNGAEFTURESHQ-CYBMUJFWSA-N 359.434 1.158 0 50 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1.946 0 50 FDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCCC2)cc1OC 11879346 XILVIKSMXUWJPW-OAHLLOKOSA-N 361.442 1.017 0 50 FDAA O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCN(Cc3cccs3)C[C@H]12 14753028 LJWURTCLCCECIO-DLBZAZTESA-N 371.462 1.208 0 50 FDAA CSC1(CNC(=O)[C@H]2OCC[C@H]2Cn2cccn2)CCN(C)CC1 1857532008 LIVJTFJVOSVDBK-GJZGRUSLSA-N 352.504 1.232 0 50 FDAA O=S(=O)(N[C@H]1C[C@H]2CO[C@H](C3CC3)CN2C1)c1cc(F)cc(F)c1 1857717218 YTTRSNBRNOYWHY-DZKIICNBSA-N 358.410 1.495 0 50 FDAA Cc1ccc(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)cc1Cl 1857730803 XXMAYHCQRNJABZ-ZBFHGGJFSA-N 370.858 1.760 0 50 FDAA O[C@H]1CN(c2cnccn2)CC[C@@H]1N1CCN(CCc2ccccc2)CC1 216632211 HEAJOUHZOUCWAU-PMACEKPBSA-N 367.497 1.277 0 50 FDAA Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CCO[C@@H]2CCN(C)C[C@@H]21 329015599 JXBVCHMFABBVJE-LSDHHAIUSA-N 374.407 1.536 0 50 FDAA CC(=O)N[C@H]1CCN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)C1 331967323 LGRGNXZHHSSYRH-JTQLQIEISA-N 360.819 1.010 0 50 FDAA O=S(=O)(c1cccc2c1OCC2)N1CCC(c2nc(O)n[nH]2)CC1 333762863 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C[C@@H](c1ccc(CN2CCS(=O)(=O)[C@H](CO)C2)cc1)C(F)(F)F 2325807570 DKZJHYNOGALLAS-FZMZJTMJSA-N 351.390 1.944 0 50 FDAA CO[C@@H](C(=O)N1C[C@H](C(=O)O)C[C@H](c2cnn(C)c2)C1)c1ccccc1 868455819 MHQKDEQJNZVXOA-ZMSDIMECSA-N 357.410 1.825 0 50 FDAA Cc1ccc(N2C[C@H](C(=O)N3CC[C@H](c4cc(O)n[nH]4)C3)CC2=O)cc1F 898205691 QRAMURSDILMODU-QWHCGFSZSA-N 372.400 1.932 0 50 FDAA COCCN1CCC[C@@]2(CCCN2C(=O)c2cnc(C3CC3)nc2)C1=O 2356146501 IWDBAZAPIICWIF-LJQANCHMSA-N 358.442 1.598 0 50 FDAA O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)c1ccc(C(=O)N2CCOCC2)cc1 2356151223 YCOQSNOGZUGJGM-IYBDPMFKSA-N 360.410 1.532 0 50 FDAA CCOCCn1c(=O)n(CCN2C[C@H]3CC[C@H]2C3)c2cc(C(=O)O)cnc21 101859463 LCBXMHNBQVSTDF-ZFWWWQNUSA-N 374.441 1.417 0 50 FDAA O=C([C@@H]1CCCN(Cc2ccco2)C1)N1CCN(c2cnnc(O)c2)CC1 55107496 AFKSTIJEIVNFLK-OAHLLOKOSA-N 371.441 1.336 0 50 FDAA COc1cccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCCCC3)=C2)c1 20219983 FRFMSIRPYRCUFB-UHFFFAOYSA-N 363.439 1.571 0 50 FDAA COc1cc(C)ccc1OCc1cc(C(=O)N2CC[C@H](NC(C)=O)C2)no1 67774372 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CCc1c(C(=O)N2CC[C@@H](N3CCOCC3)C2)cnn1-c1ccccc1 172763075 IVFHPKVSTOIHIP-QGZVFWFLSA-N 354.454 1.981 0 50 FDAA O=C(c1cn(Cc2c(F)cccc2F)nn1)N1CCN2CCCC[C@@H]2C1 72129474 FRCRDXFWZCSIIY-CYBMUJFWSA-N 361.396 1.915 0 50 FDAA Cc1oc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1C(=O)O 262929973 GEHFNSPLGQWFPL-CQSZACIVSA-N 356.378 1.951 0 50 FDAA O=C(O)[C@H]1CCCN1C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 238086425 KQSZWOKYKKKBJO-GFCCVEGCSA-N 354.288 1.975 0 50 FDAA O=C1NCCN(C(=O)c2ccc(N3CCCC3)nn2)[C@H]1c1ccccc1F 378654475 VVZAXLFOQYCASR-KRWDZBQOSA-N 369.400 1.529 0 50 FDAA Cc1cccc(N2CCN(C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(=O)O)CC2)c1C 222244372 MQFAJDVHISGRMJ-TVFCKZIOSA-N 358.438 1.830 0 50 FDAA CC(=O)N1CCCn2nc(CNC(=O)[C@@H]3COc4ccccc4C3)cc2C1 82096922 IUEMPQJVVHYMJO-INIZCTEOSA-N 368.437 1.503 0 50 FDAA O=C(Cn1ccnn1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 175089388 GRFDVYQPQLPMNW-UHFFFAOYSA-N 374.754 1.694 0 50 FDAA Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@@H](C)CN1CCOCC1 20028535 BHYNCAQTPBLURR-VIFPVBQESA-N 368.787 1.701 0 50 FDAA CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCN1CCCCCC1=O 82146715 UYUBFPVHBJAWLK-UHFFFAOYSA-N 356.426 1.674 0 50 FDAA Cc1nc(=O)[nH]c(C)c1CCC(=O)NC[C@H]1CCCN(c2ccccn2)C1 221192996 QIGGBDAEOHUVQY-MRXNPFEDSA-N 369.469 1.747 0 50 FDAA C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Nc1nccn(C)c1=O 287010871 FVYPWCIBACGFBT-NSHDSACASA-N 357.418 1.638 0 50 FDAA Cc1noc2ncnc(N3CCn4nc(CCC(=O)NC5CC5)cc4C3)c12 82134387 DZVVWUPOEYPEPW-UHFFFAOYSA-N 367.413 1.354 0 50 FDAA Cc1nc(N2CCN(C)CC2)ncc1C(=O)N1Cc2ccccc2[C@H](O)C1 82087065 DHEWFBLNAWZYHH-GOSISDBHSA-N 367.453 1.226 0 50 FDAA Cc1cc(C)n2nc(C)c(C(=O)N3CCC(c4nc(N)n[nH]4)CC3)c2n1 426489678 QRADLBQVMLRMCT-UHFFFAOYSA-N 354.418 1.375 0 50 FDAA NC(=O)Cn1ccnc1C1CCN(C(=O)c2ccc3ncsc3c2)CC1 95529138 WHPWXJUOAHEMDR-UHFFFAOYSA-N 369.450 1.998 0 50 FDAA O=C(c1ccccc1OC1CCN(C(=O)[C@@H]2C=CCN2)CC1)N1CCCC1 95522892 PYABSHAAMKTMIO-SFHVURJKSA-N 369.465 1.820 0 50 FDAA Cn1cnnc1SCCNC(=O)C1CCN(C(=O)C2CCCC2)CC1 91935172 DGQNEDJWTRZNPA-UHFFFAOYSA-N 365.503 1.452 0 50 FDAA O=C(c1cnc2ccccc2c1)N1C[C@H](CO)[C@H](CN2CCC(O)CC2)C1 91951398 SPSKFYZYZCQLMF-QZTJIDSGSA-N 369.465 1.372 0 50 FDAA CCc1nc(C)c(CNC(=O)[C@H]2CNC[C@H](C(=O)N3CCCC3)C2)s1 95370284 VYAKFXACPXAIAP-ZIAGYGMSSA-N 364.515 1.478 0 50 FDAA Cn1ccnc1CN1CCN(C(=O)Nc2ccc3c(c2)C(=O)OC3)CC1 96151738 SCXZFCMJMHOZCA-UHFFFAOYSA-N 355.398 1.440 0 50 FDAA O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCCN(Cc2cccnc2)CC1 91504888 RHFLSNYLYXMXPZ-GOSISDBHSA-N 370.497 1.907 0 50 FDAA O=C(O)CN1CCC(Oc2ccc(C(=O)NCc3ccccn3)cc2)CC1 95516757 WLUAKBGEOXFTAB-UHFFFAOYSA-N 369.421 1.939 0 50 FDAA NCCn1cc(C(=O)N2CCc3[nH]nc(CC4CCCCC4)c3C2)nn1 23619765 RMPIHEQCSILXBZ-UHFFFAOYSA-N 357.462 1.281 0 50 FDAA CN1CCC(N2CCC[C@H]2C(=O)N2CCC(c3nccn3C)CC2)CC1 91769857 APJCURLRPGIPBO-SFHVURJKSA-N 359.518 1.685 0 50 FDAA CCn1c(Cn2ccnc2)nnc1C1CCN(Cc2cn(C)nc2C)CC1 91460760 OVTZAJFTZGAPLP-UHFFFAOYSA-N 368.489 1.964 0 50 FDAA CCn1c(Cn2cncn2)nnc1C1CCN(Cc2ccccn2)CC1 91657421 CAPRTEBLENLUKX-UHFFFAOYSA-N 352.446 1.712 0 50 FDAA O=C(CCc1cc2n(n1)CCN(C(=O)NCc1cccs1)C2)NC1CC1 91951004 JGCUTRBXDLQCLK-UHFFFAOYSA-N 373.482 1.881 0 50 FDAA C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCC1CCN(Cc2ccccc2)CC1 180978383 PAVHNCBXTNMASR-BEFAXECRSA-N 373.497 1.290 0 50 FDAA CN(C)c1nc(CNC(=O)Nc2ccc3c(c2)OCC(=O)N3C)cs1 534590929 ADFCVLFSWHPQJO-UHFFFAOYSA-N 361.427 1.886 0 50 FDAA Nc1ncnc2c1c(I)cn2[C@H]1CC[C@@H](CO)O1 34239378 OEZWDZXBBPSXGY-POYBYMJQSA-N 360.155 1.288 0 50 FDAA Cc1nc(CC(=O)NCc2cc3n(n2)CCN(C(=O)C(C)C)C3)cs1 299775625 LIAUICRGOPVMCE-UHFFFAOYSA-N 361.471 1.505 0 50 FDAA Cc1cc(N[C@@H]2CCN(CC(=O)N(C)C)C[C@H]2O)nc(-c2ccccc2)n1 299767789 OLSYVRSSUYXGNM-IAGOWNOFSA-N 369.469 1.387 0 50 FDAA O=C(NCc1noc([C@H]2CCCO2)n1)C1(N2CCOCC2)CCCCC1 299760654 QEZBDSSRDJYBPL-CQSZACIVSA-N 364.446 1.572 0 50 FDAA COC(=O)[C@@H]1CCCN1C(=O)c1cc(Cc2ccc3c(c2)OCO3)no1 299757114 HWSSOIRESQMDBQ-ZDUSSCGKSA-N 358.350 1.772 0 50 FDAA COc1ccccc1N1C[C@@H](C(=O)NCCN2CCCOC2=O)CC1=O 299798633 SOIUVLHIKGOUCT-ZDUSSCGKSA-N 361.398 1.007 0 50 FDAA CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCCc1noc(CO)n1 828840494 JPYYLHQKKSGZSV-MRXNPFEDSA-N 373.457 1.268 0 50 FDAA O=C(CN1CCN(C(=O)NCCCn2cccc2)CC1)N1CCCCC1 584895860 ZTHBEYLGZSJSAM-UHFFFAOYSA-N 361.490 1.218 0 50 FDAA Cn1nc2n(c1=O)C[C@H](C(=O)NCCCn1ccc3ccccc31)CC2 670437046 TZOHJCXQSYIFIE-OAHLLOKOSA-N 353.426 1.305 0 50 FDAA NC(=O)CN1CCC[C@@H](C(=O)N[C@@H](c2ccccc2)c2ccncc2)C1 952983000 QVFSJUASTNWOJF-MJGOQNOKSA-N 352.438 1.485 0 50 FDAA CS(=O)(=O)NCCC(=O)Nc1ccc(OC[C@@H]2CCCCO2)cc1 952987214 JEURWDNVDUFEER-HNNXBMFYSA-N 356.444 1.512 0 50 FDAA Cc1nc(CCC(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2ccncc2)C3)n[nH]1 1565525402 IMKGYVAGHPBCQQ-ZBFHGGJFSA-N 368.441 1.204 0 50 FDAA Cc1ocnc1C(=O)N1CC[C@]2(O)CCN(C(=O)N3CCCC3)C[C@@H]2C1 1565526772 XRRZHVHZKKMYTC-KSSFIOAISA-N 362.430 1.098 0 50 FDAA O=C(NS(=O)(=O)c1ccsc1)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2 408489208 QNOCVZWCRCGUSS-ZYUZMQFOSA-N 355.359 1.909 0 50 FDAA Cn1cnc(-c2cccc(NC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)c2)n1 272819703 FKXMISKLWAJYTF-SFHVURJKSA-N 368.397 1.141 0 50 FDAA CCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2ccc3c(c2)OCO3)cn1 275377097 YELDFRJGSZIHHY-XJKSGUPXSA-N 365.411 1.440 0 50 FDAA CCN(CC(=O)O)C1CCN(C(=O)[C@H](C)Oc2cccc(F)c2)CC1 186640086 HQUAKGCAHBNBEC-ZDUSSCGKSA-N 352.406 1.991 0 50 FDAA Cc1c(S(=O)(=O)N2CCC[C@@]2(C)C(=O)O)cnn1-c1ccccn1 170088260 RNSZWOAQXLVDJA-HNNXBMFYSA-N 350.400 1.204 0 50 FDAA CNC(=O)c1ccc(S(=O)(=O)N(C)CCN2CCCCCC2)cc1 1506421792 VLRLIVRZIAGHRN-UHFFFAOYSA-N 353.488 1.543 0 50 FDAA CCC1=NO[C@H](CN2CCCN(S(=O)(=O)N3CCCCC3)CC2)C1 1506405740 HADVQZUTEHJYGU-INIZCTEOSA-N 358.508 1.280 0 50 FDAA CCOC(=O)[C@@H]1[C@H](c2ccc(F)cc2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 1016344 BBUYUNRMQOEVPD-MJVIPROJSA-N 364.295 1.952 0 50 FDAA COc1ccc2c(c1)C=C(CN1CC[C@@]3(C(=O)O)CCCN[C@@H]3C1)CO2 1529091871 RWFVJMWYSQKYKP-QUCCMNQESA-N 358.438 2.000 0 50 FDAA COCCCN1C(=O)CC[C@@H]2CN(C(=O)c3ccc(CN)cc3)CC[C@@H]21 217097740 LPUDCWWDZZFWJN-MSOLQXFVSA-N 359.470 1.635 0 50 FDAA O=C(c1ccc(OC(F)F)cc1)N1CCCN(C[C@@H]2COCCO2)CC1 1704348901 XRQRXHOFYKTFBD-MRXNPFEDSA-N 370.396 1.851 0 50 FDAA CC1=CC2(CCN(C(=O)c3cc(S(N)(=O)=O)ccc3F)CC2)OCC1 1704325293 HHYSZFBUPRXMLI-UHFFFAOYSA-N 368.430 1.815 0 50 FDAA CC(C)NC(=O)[C@@]12CCCN(C(=O)COc3ccccc3)[C@H]1CN(C)CC2 1775978874 WWNDGJMCHMXDOF-GHTZIAJQSA-N 373.497 1.903 0 50 FDAA CN(C)C[C@@]12CN(Cc3ncc[nH]3)C[C@H]1CN(C(=O)c1ccccc1F)C2 1772818401 CZOXSMZLIGXNJJ-YWZLYKJASA-N 371.460 1.685 0 50 FDAA CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)Cn1cnnn1 12203146 DQQFKSQMEZPMSH-OAHLLOKOSA-N 360.437 1.225 0 50 FDAA Cc1ccn(CCNC(=O)[C@H]2CCC(=O)N(CCc3ccccn3)C2)n1 12320449 HTKHPTIQSHWWHM-INIZCTEOSA-N 355.442 1.184 0 50 FDAA COc1ccc(CN2CCN(Cc3cc(C)[nH]n3)C[C@@H]2CCO)c(F)c1 19789844 IKQUAJQDTFDXED-KRWDZBQOSA-N 362.449 1.935 0 50 FDAA O=C(NCc1cccs1)c1cc(S(=O)(=O)N2CCOCC2)cs1 4843163 JUXPBGAQKVQSCO-UHFFFAOYSA-N 372.493 1.761 0 50 FDAA Cc1nc(O)cc(CN2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)n1 1857683091 BYNFGSALJJEKHQ-IBGZPJMESA-N 354.410 1.740 0 50 FDAA Cc1nc(N2CCOCC2)sc1C(=O)NCc1cnc2cnccn12 1857712999 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COc1ccccc1N1CC[C@H](NC(=O)c2ccc(CNC(N)=O)cc2)C1 156857109 HGUWBMKADUFWGN-INIZCTEOSA-N 368.437 1.872 0 50 FDAA CN(C)c1ccc(-c2cncc(C(=O)N[C@@H]3CCO[C@@H]3C(=O)O)c2)cc1 909944391 WCQQGESRYXHMPY-SJORKVTESA-N 355.394 1.787 0 50 FDAA Cc1onc(CC(=O)N2CCC[C@@H]2c2ccc(O)cc2)c1-c1nn[nH]n1 826344717 QKOUTYAAYWPTJR-CQSZACIVSA-N 354.370 1.775 0 50 FDAA C=CC(=O)N1CCC(C(=O)N[C@@H]2CCCNC2=O)(c2ccccc2)CC1 847407549 LDFKEYQJJOZULW-MRXNPFEDSA-N 355.438 1.128 0 50 FDAA O=C1CCCc2cc(S(=O)(=O)N[C@@H]3Cc4cccnc4C3)ccc2N1 1875287697 VMCUPMRDADBWHX-CQSZACIVSA-N 357.435 1.802 0 50 FDAA CN(Cc1cccc2[nH]ccc12)c1ncnc2c1ncn2C(CO)CO 1875269274 QZRVGJNBEFLYKN-UHFFFAOYSA-N 352.398 1.470 0 50 FDAA CCOC(=O)[C@@]1(NC(=O)/C=C/CN(C)C)Cc2ccc(Cl)cc2C1 1875374569 WXBHPIVTPUXQCL-DUMMIQTOSA-N 350.846 1.975 0 50 FDAA Cn1nccc1-c1ccc(N2CC[C@@H](C3CC3)[C@H]2c2nnc(O)n2C)nn1 1875399812 JNNPDFGZMSNQDW-LRDDRELGSA-N 366.429 1.689 0 50 FDAA C[C@H](O)C[C@H](CNC(=O)NC[C@]1(C(=O)O)CCOC1)c1ccccc1 1875330464 YNMAFAXNJHICFS-JCKWVBRZSA-N 350.415 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CN(C[C@H]1Cc2ccccc2O1)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 215588499 NYYXFXSQPKOQRV-CYBMUJFWSA-N 351.362 1.292 0 50 FDAA CN(Cc1ncc[nH]1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CC(C)(C)C)C(=O)[C@@H]13)O2 77406800 QCJPUFJXIPAFON-FIIQBIKZSA-N 358.442 1.196 0 50 FDAA CC1CCN(Cc2cc3n(n2)CCN(C(=O)C(=O)c2cccn2C)C3)CC1 72428122 VOEVXUCRGIIRRM-UHFFFAOYSA-N 369.469 1.679 0 50 FDAA Cc1ccc([C@@H]2CN(C(=O)CCC(=O)N(C)C)C[C@H]2NC(=O)C2CC2)cc1 77378868 OYJPPDYFVFJPNY-ZWKOTPCHSA-N 371.481 1.684 0 50 FDAA CCN(CC)C(=O)Cn1nc(S(C)(=O)=O)nc1-c1ccccc1OC 4770282 AAJGFUWJNMPBSV-UHFFFAOYSA-N 366.443 1.226 0 50 FDAA C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccncc1 71385119 WPJQTONTTFMFNV-ZDUSSCGKSA-N 363.439 1.561 0 50 FDAA COc1cccc(CNC(=O)Cn2nc(C)n(Cc3ccccc3)c2=O)c1 77452446 IHYLCCUWQMJYCS-UHFFFAOYSA-N 366.421 1.727 0 50 FDAA Cc1c(CN2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)[nH]c2ccc(Cl)cc12 215636498 CKRGWUFGEAVRFI-OALUTQOASA-N 362.905 1.922 0 50 FDAA CCN(CC)C(=O)Cn1cc(C(=O)N(C)C[C@H]2Cc3ccccc3O2)nn1 72151721 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CO[C@H]1CN(C(=O)CN(C)Cc2cccnc2)C[C@H]1Cc1cc(C)no1 1529197392 PXFYPLVICSRFQP-AEFFLSMTSA-N 358.442 1.526 0 50 FDAA COc1ccc([C@@H]2[C@@H](C(=O)NCc3ncc[nH]3)OCC(=O)N2C2CC2)cc1 1529090952 LCAGHSPVMJKXOJ-MSOLQXFVSA-N 370.409 1.166 0 50 FDAA Cc1cccc(CCN2CCCN(C(=O)c3cccn(C)c3=O)CC2)n1 1704349623 BOYAGCRUMWLKHF-UHFFFAOYSA-N 354.454 1.479 0 50 FDAA CCc1cc(C(=O)N2CCCN(C(=O)c3cccnc3C)CC2)n(C)n1 1772707194 LKBHJIDTFFXHAC-UHFFFAOYSA-N 355.442 1.674 0 50 FDAA Cc1cc(O[C@@H](C)C(=O)N2C[C@H]3[C@@H](C2)C3(CO)CO)cc(C)c1Cl 1772704244 HCJHOQPDSKOMEJ-AEGPPILISA-N 353.846 1.783 0 50 FDAA Cc1c(Cl)cccc1-n1nnc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1C 12274107 SABMXQAMGYFDGT-LLVKDONJSA-N 368.846 1.454 0 50 FDAA COCCN1CCC(CN(C)C(=O)[C@H]2CCN(c3ccccc3)C2=O)CC1 12576196 HZCXOUDNDJZOGF-LJQANCHMSA-N 373.497 1.856 0 50 FDAA O=C1NCCN(Cc2ccc(F)cc2Cl)[C@H]1CC(=O)N1CCOCC1 15073432 KEENUFTVHYSRDL-HNNXBMFYSA-N 369.824 1.028 0 50 FDAA COc1ccc(-c2ccc(=O)n(CC(=O)Nc3nnc(C)s3)n2)cc1 5388921 COULLQFYCQZDJP-UHFFFAOYSA-N 357.395 1.718 0 50 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COc1ccccc1N1C[C@@H](NC(=O)CSc2nc(C)n[nH]2)CC1=O 299790874 BWCODQVCXLVHCS-NSHDSACASA-N 361.427 1.136 0 50 FDAA COc1ccc(CCCC(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)cc1 299761905 ZULXUVFRAGBPIQ-ZWKOTPCHSA-N 356.426 1.982 0 50 FDAA CC(C)c1cc(C(=O)N2CCN3CCNC(=O)[C@@H]3C2)c(O)c(C(C)C)c1 299792189 GQHZLHKEKHGVKU-KRWDZBQOSA-N 359.470 1.895 0 50 FDAA Cn1cc(C(=O)NCCN2CCC[C@@H](c3ccccc3)C2)c(O)nc1=O 828196326 QQOIDPJVINPZBT-OAHLLOKOSA-N 356.426 1.095 0 50 FDAA Cc1cc(NC(=O)CN2C(=O)CN(C)C2=O)ccc1NC(=O)c1ccco1 490137119 TTYNQURVEGRZMO-UHFFFAOYSA-N 370.365 1.673 0 50 FDAA CN1CCC(Oc2ccc(NC(=O)[C@H]3NCCc4nc[nH]c43)cc2)CC1 952969916 IYTZFHJYQHGBCT-SFHVURJKSA-N 355.442 1.708 0 50 FDAA O=C(Cn1cnc2ccccc21)N[C@H]1CCOC[C@@H]1OCc1ccccn1 1565509567 KTYUGULUONKWOS-HKUYNNGSSA-N 366.421 1.922 0 50 FDAA CNc1ncccc1C(=O)N[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1O 1565529307 FFUFKSOTMPSKKM-HOTGVXAUSA-N 354.410 1.129 0 50 FDAA CCO[C@H]1COCC[C@@H]1NC(=O)c1ccc(OC)c(N2CCOCC2)c1 1565530204 CLMVRUGSUGXLDE-YJBOKZPZSA-N 364.442 1.456 0 50 FDAA CCn1cnc2c(N3CCN(C(=O)c4ccccc4O)CC3)ncnc21 170624656 UTHAJTONHIBTCA-UHFFFAOYSA-N 352.398 1.514 0 50 FDAA O=C(/C=C/c1ccc2c(c1)OCO2)NS(=O)(=O)c1ccc(Cl)cn1 170625784 XOWKQZYXHMZRRJ-GORDUTHDSA-N 366.782 1.982 0 50 FDAA O=C(NCc1cccc2c1OCCCO2)[C@H]1CC12CCS(=O)(=O)CC2 170600292 CQLHHAVPAOZIFM-CQSZACIVSA-N 365.451 1.679 0 50 FDAA C[C@@H]1CN(C(=O)c2ccc(N3CCNC3=O)cc2)CC2(CCOCC2)O1 279257314 SSTOXUQZNFDDMS-CQSZACIVSA-N 359.426 1.626 0 50 FDAA COc1cc(C(=O)Nc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)ccn1 1319123219 MJAFSBJOEKIPMV-ZDUSSCGKSA-N 364.427 1.515 0 50 FDAA CNC[C@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1F 237279334 PUQBGMGVMNAXDT-SNVBAGLBSA-N 351.241 1.961 0 50 FDAA Cc1nc(O)nc(C)c1CCC(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1704340808 MRTNQXSTFRZYGZ-WBVHZDCISA-N 356.426 1.501 0 50 FDAA Cn1cc(CC(=O)N[C@@]2(C)CC3(CCNCC3)OC[C@@H]2O)c2ccccc21 1704336020 SPVHQDWLCRKODD-ICSRJNTNSA-N 371.481 1.499 0 50 FDAA Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1 147173905 BYWJAVQGRJEEHH-UHFFFAOYSA-N 357.439 1.209 0 50 FDAA CC(C)C1=NO[C@H](C(=O)N2CCCN(c3nnc4ccccn34)CC2)C1 1775977846 MUQYYKVGGVFZLU-HNNXBMFYSA-N 356.430 1.569 0 50 FDAA COc1cccc(OCc2nc(C(=O)N[C@H]3CCCCNC3=O)co2)c1 12458104 HXLDLJLRRMHSMR-AWEZNQCLSA-N 359.382 1.661 0 50 FDAA C[C@H](O)c1cn(CC2CCN(C(=O)c3cccc(N(C)C)c3)CC2)nn1 19638549 OZIXTURGPOZZFY-AWEZNQCLSA-N 357.458 1.950 0 50 FDAA CCn1c(COc2ccc3c(c2)OCO3)nnc1SCC(=O)OC 2692981 GWHRJOQWSCLCQZ-UHFFFAOYSA-N 351.384 1.871 0 50 FDAA CCN(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccc(F)cc1 4414277 CPUMPZSMJJHHAM-UHFFFAOYSA-N 351.403 1.548 0 50 FDAA NC(=O)Cc1nc([C@H]2CCn3nccc3C2)n(Cc2cccc(Cl)c2)n1 1857679521 XRJWQWNGFNXFEI-ZDUSSCGKSA-N 370.844 1.934 0 50 FDAA CC[C@@]12COC(=O)N1CCN(Cc1ccc(Sc3nncn3C)o1)C2 1857675181 MZAHRLIBKHVXHI-MRXNPFEDSA-N 363.443 1.976 0 50 FDAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(C(=O)c3cnn4ccn(C)c34)C[C@H]12 1857696946 GCNBWQCPURZYBJ-SDADXPQNSA-N 356.426 1.746 0 50 FDAA CC(C)(CO)NC(=O)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857709597 HMSAGTFHBVOFQY-CYBMUJFWSA-N 374.466 1.369 0 50 FDAA Cc1nc(C)c(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)s1 1857719933 ZDRJLIGVQFMQMP-GJZGRUSLSA-N 363.487 1.637 0 50 FDAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc(Cn4cccn4)o3)C[C@@H]2O)n[nH]1 1857720575 AFVNSRGCLXXYSK-CJNGLKHVSA-N 355.398 1.232 0 50 FDAA CCOC(=O)c1[nH]c(C)c(C(=O)N2CCO[C@@H]3C[C@H](CO)C[C@@H]32)c1C 1857730848 ZSMUIKBTXMCYFO-HZSPNIEDSA-N 350.415 1.420 0 50 FDAA O=C(CCc1cccnc1)N[C@H]1C[C@H](C(=O)NCC2=CCCCC2)C[C@@H]1O 1875243610 OWEJRZBSPUIFKP-FHWLQOOXSA-N 371.481 1.887 0 50 FDAA CC[C@@H](O)CN1CCN(C(=O)c2cc(N3CCCC3=O)ccc2F)CC1 119323647 CHCUEAMRBRTPDO-OAHLLOKOSA-N 363.433 1.481 0 50 FDAA CC1(C)[C@H]2CC=C(CN3CCC(n4cc(C(=O)NCCO)nn4)CC3)[C@@H]1C2 11995445 KWMGIYPVNCQWFE-RDJZCZTQSA-N 373.501 1.630 0 50 FDAA Cc1c(NS(=O)(=O)c2ccc(C(=O)O)cc2F)cnn1[C@@H]1CCOC1 451100496 UURJOARJXSTKQS-LLVKDONJSA-N 369.374 1.791 0 50 FDAA Nc1n[nH]c(SCC(=O)N2C[C@H]3CC[C@@H](C2)N(Cc2ccccc2)C3)n1 247659450 RMOOCKBIRNLBNW-GJZGRUSLSA-N 372.498 1.602 0 50 FDAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccccc1-c1nc[nH]n1)C2 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0 50 FDAA O=C(N[C@@H]1CCNC1)c1cccc(S(=O)(=O)NCc2ccsc2)c1 215241356 YAVPEIQWEODJTL-CQSZACIVSA-N 365.480 1.318 0 50 FDAA Cc1ccn2c(CN(C)[C@@H](C)C(N)=O)c(C(=O)N3CCCCCC3)nc2c1 71760275 DISQEXYPLUPERE-HNNXBMFYSA-N 371.485 1.965 0 50 FDAA O=C1C[C@H](C(=O)N2CCC(c3ccn[nH]3)CC2)CN1Cc1ccccn1 125788633 LSZSYDVJXOCGJD-HNNXBMFYSA-N 353.426 1.559 0 50 FDAA Cc1csc([C@H](C)NC(=O)c2cc(C)nc3c2c(=O)[nH]c(=O)n3C)n1 216075845 RRBNFNVZDNVMQC-VIFPVBQESA-N 359.411 1.186 0 50 FDAA CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1CC[C@H](N2CCCC2=O)C1 330055265 UCCUEIYMQNTCHK-HKUYNNGSSA-N 369.465 1.746 0 50 FDAA Cc1nc([C@H]2CCCN2S(=O)(=O)c2cccc(C(=O)N(C)C)c2)n[nH]1 215418882 YERRIRIGRDEIHE-CQSZACIVSA-N 363.443 1.341 0 50 FDAA CCc1noc([C@H]2C[C@H](O)CN2C(=O)c2cnn(-c3ccccc3)c2)n1 364790871 UZRBYODJIOCTTD-LSDHHAIUSA-N 353.382 1.766 0 50 FDAA COC1(CO)CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)CC1 365701301 LDBKTLUKXMAZRK-BBWFWOEESA-N 374.485 1.614 0 50 FDAA CS(=O)(=O)NC1CCN(Cc2cc(F)ccc2-n2cccn2)CC1 215751685 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299796512 QROPGOKLYQPFOX-OAHLLOKOSA-N 359.449 1.826 0 50 FDAA COCc1cccc(C(=O)N2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)c1 299779736 NZXIWEJMEDSXBU-DMUMMCEESA-N 361.438 1.462 0 50 FDAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(CC(=O)NCCc1ccc(F)cc1)CC2 299799848 UUCPEFMQQJECAB-ZIFCJYIRSA-N 350.434 1.489 0 50 FDAA COc1cc(C)ccc1S(=O)(=O)N[C@@H]1CCCN(C(=O)C(C)C)C1 824541322 YFUQNUOLUBIUSG-CQSZACIVSA-N 354.472 1.929 0 50 FDAA CCc1csc(CNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)n1 670458832 OADGMJHHOONQOI-UHFFFAOYSA-N 360.482 1.588 0 50 FDAA CC(=O)N1CCN(C(=O)c2ccc(Cn3nc(C)cc3C)cc2)C[C@@H](O)C1 952978274 QKYZJUXIQBDHNC-IBGZPJMESA-N 370.453 1.213 0 50 FDAA COCC(=O)N1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)C1 1565510774 HAEMOJZHMJACDG-STQMWFEESA-N 360.332 1.043 0 50 FDAA COCC(=O)N1CC[C@H](NC(=O)c2[nH]c3c(C)cc(C)cc3c2C)[C@@H](O)C1 1565516846 MVPQVJAZCPOWMC-HOTGVXAUSA-N 373.453 1.431 0 50 FDAA C[C@@H]1CN(S(=O)(=O)NCCOc2cccc(Cl)c2Cl)CCO1 170642409 KSFQZTYITGKELG-SNVBAGLBSA-N 369.270 1.927 0 50 FDAA O=C(CCC(=O)N[C@H]1COC[C@@H]1Cc1ccncc1)Nc1nncs1 1613881895 IUOUTTXXKUBANY-STQMWFEESA-N 361.427 1.026 0 50 FDAA Cc1cc2cc(C(=O)N[C@@H]3COC[C@H]3CS(=O)(=O)N(C)C)ccc2o1 1704301364 WJWJZCPZJARVEQ-LSDHHAIUSA-N 366.439 1.377 0 50 FDAA Cc1cc(N[C@@H](Cc2ccc(O)cc2)C(N)=O)nc(N2CCCCC2)n1 1704342627 ASKPYOUWNDOREA-INIZCTEOSA-N 355.442 1.989 0 50 FDAA O=C(Cc1ccc(C(F)(F)F)cc1)N1C[C@]2(C(=O)O)C[C@]2(C(=O)O)C1 1704311899 WIUGVBOMBVOBFU-GASCZTMLSA-N 357.284 1.636 0 50 FDAA CC(=O)NCCc1nc(COc2cccc(F)c2)nn1-c1cnn(C)c1 1772819539 OAMHGCOTSAZXSD-UHFFFAOYSA-N 358.377 1.398 0 50 FDAA CN1C(=O)COc2ccc(C(=O)N3CCC[C@]4(CCc5c[nH]nc54)C3)cc21 1775979413 HUYMZLPMYCGTQK-FQEVSTJZSA-N 366.421 1.885 0 50 FDAA COc1ccc(OC)c(NC(=O)CN2CCN(c3ccccn3)CC2)c1 5043356 FGWXZUNIGRMBQF-UHFFFAOYSA-N 356.426 1.860 0 50 FDAA O=C(NC(=S)Nc1cccc(C(=O)N2CCOCC2)c1)c1ccco1 12138682 UAALPWLHDXVBBU-UHFFFAOYSA-N 359.407 1.879 0 50 FDAA Cc1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)nnn1-c1cccc(Cl)c1 12274111 OFGHRDOYTRUUJE-LLVKDONJSA-N 354.819 1.146 0 50 FDAA CC[C@H](C(=O)N1CCOCC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716045 CARKIUYYXIPGLT-MRXNPFEDSA-N 354.472 1.707 0 50 FDAA CC[C@H](C)[C@@H]1NC(=O)[C@H]2CN(C(=O)c3ccc(Cl)cc3)CCN2C1=O 14542067 UTALAMKQERUJMH-GLQYFDAESA-N 363.845 1.538 0 50 FDAA O=C1[C@H]2CN(Cc3cccc4cccnc34)CCN2C(=O)[C@@H]2CCCN12 14744792 BXWNJXNGSBOYSK-DLBZAZTESA-N 350.422 1.252 0 50 FDAA C[C@@H](C(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1)n1cncn1 1857669932 DLDWCFIMPHKOCQ-AWEZNQCLSA-N 350.426 1.867 0 50 FDAA NC(=O)c1ccc(N2CC[C@H]3[C@@H]2CC(=O)N3C2Cc3ccccc3C2)nc1 1857690756 RHZULVWJHJOLJA-ROUUACIJSA-N 362.433 1.528 0 50 FDAA COc1ccc(Cl)cc1NC(=O)N1C[C@@H]2OCCC(=O)N(C)[C@H]2C1 1857697390 SVYHEUKGNPCRKP-JSGCOSHPSA-N 353.806 1.812 0 50 FDAA Cc1ccc(-c2cc(C(=O)N3CC[C@@]45OCCCN4C(=O)C[C@@H]35)n[nH]2)cc1 1857729644 FWKLXVDMGWRPQR-XLIONFOSSA-N 366.421 1.949 0 50 FDAA Cc1ccccc1-c1ncc(CN2CC[C@@]34OCCN3C(=O)C[C@@H]24)cn1 1857730331 MSKSCWBOVPEUTQ-XLIONFOSSA-N 350.422 1.985 0 50 FDAA O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 217422404 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KLWCFAIWYOCKBH-MRXNPFEDSA-N 356.474 1.405 0 50 FDAA CCC(=O)N1CC[C@@H]2C[C@H](NC(=O)c3cnn4ccncc34)CC[C@@H]2C1 1875356604 MRCVMFNBFKYRTI-RBSFLKMASA-N 355.442 1.886 0 50 FDAA CCN=c1[nH]c(C(=O)N2CCC[C@]23CCC[S@](=O)(=NC)C3)cs1 1875395296 ACOHHLQVWSWRCV-IQMFZBJNSA-N 356.517 1.863 0 50 FDAA C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@H]1C(=O)NS(C)(=O)=O 1875390707 AIMXFEYZCMUMKP-YUELXQCFSA-N 364.467 1.846 0 50 FDAA COc1cncc(C(=O)N2CC[C@@H](C3CC3)[C@H]2c2nnc(O)n2C)c1C 1875401804 SFYAJBKNFYHJHX-WFASDCNBSA-N 357.414 1.846 0 50 FDAA COc1ccc2[nH]c(C(=O)N[C@H]3COC[C@H]3Oc3cnn(C)c3)cc2c1 888093678 NPFDQRKWCXNHCY-DLBZAZTESA-N 356.382 1.486 0 50 FDAA Cc1noc([C@H]2COCCN2C2CN(c3ncc(Cl)cc3F)C2)n1 888098351 GJNYTOSVNLNCOZ-CYBMUJFWSA-N 353.785 1.828 0 50 FDAA CCCO[C@H]1C[C@@H](C(=O)N2CCCC2)CC[C@@H]1NC(=O)c1ccc(=N)[nH]c1 2100548176 WPYSOFIJOSJNDF-XIRDDKMYSA-N 374.485 1.810 0 50 FDAA CN1CCN(C(=O)c2cnc(O)c3cncn23)[C@H](Cc2ccccc2)C1 2325825965 JTNBDSFVPCDDFH-OAHLLOKOSA-N 351.410 1.434 0 50 FDAA O=C(N=c1cc(-c2ccccc2)[nH][nH]1)c1nnn([C@H]2CCNC2)c1C(F)F 2325858855 DBHHLSWUABTALU-NSHDSACASA-N 373.367 1.814 0 50 FDAA O=C(CCCF)NC[C@]1(O)CCN(C(=O)c2ccc3cccnc3c2)C1 2325871535 PFCJQFREYKIVOE-LJQANCHMSA-N 359.401 1.678 0 50 FDAA C/C=C/C=C/C(=O)N[C@@H]1COC[C@@H]1NC(=O)c1cccc2nc(Cl)cn12 2325872768 MHFJMTGNGNRCLQ-VEBSGTMGSA-N 374.828 1.733 0 50 FDAA CCCN1CCC(N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 900329 DXOLOAXEDKKXTP-UHFFFAOYSA-N 351.516 1.867 0 50 FDAA COCCN1CCC[C@@]2(CCCN2C(=O)CCc2n[nH]c(C)c2C)C1=O 2356139196 FBCJOYGEZQCGJD-LJQANCHMSA-N 362.474 1.589 0 50 FDAA Cc1ccccc1N1C(=O)C[C@H](N2CCN(C(=O)c3ccco3)CC2)C1=O 2378275 ZLODBVVJGKIDQX-INIZCTEOSA-N 367.405 1.678 0 50 FDAA O=C(c1ccnc2ccccc12)N1CCC[C@]12CCCN(CCO)C2=O 2356165661 FAHHFOSXANILRH-FQEVSTJZSA-N 353.422 1.824 0 50 FDAA O=C([C@@H]1CCc2ncnn2C1)N1CCc2nc(-c3ccccc3)nn2CC1 2356166838 BMTXIWVPUKXXNQ-OAHLLOKOSA-N 363.425 1.184 0 50 FDAA COc1cccc2c1C1(CCN(C[C@H]3CCS(=O)(=O)C3)CC1)OCC2 2356167955 KCKVAOKZVUOYPU-OAHLLOKOSA-N 365.495 1.994 0 50 FDAA 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Cc1ccc(-n2[nH]c(C(=O)N[C@@H]3CCC(=O)NC34CCC4)cc2=O)cc1 283694930 RLFZPFRWYAUMEK-OAHLLOKOSA-N 354.410 1.405 0 50 FDAA COCCN1C[C@@H](NC(=O)c2csc(-c3cccs3)n2)CC1=O 82114358 JTDWERMKZQHBKQ-JTQLQIEISA-N 351.453 1.849 0 50 FDAA CCN(CC)S(=O)(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 177000121 WNFMZZRUTKJMJP-UHFFFAOYSA-N 367.515 1.740 0 50 FDAA COc1ccc(-n2cc(-c3ccnc(N4CCN(C)C(=O)C4)n3)cn2)cc1 48121735 ULSCYYZABCGPKD-UHFFFAOYSA-N 364.409 1.616 0 50 FDAA CCN(CCO)C[C@@H]1CN(C(=O)c2ccc(Cl)cc2C)C[C@@H]1CO 91951940 PTOCGLJFOHZRGJ-HUUCEWRRSA-N 354.878 1.643 0 50 FDAA CN(C)c1nc(Cl)c(CN2C[C@H](CO)[C@H](CN3CCOCC3)C2)s1 91644500 XZPANBOALGUWFT-CHWSQXEVSA-N 374.938 1.235 0 50 FDAA COc1cc(F)ccc1[C@H](C(=O)O)N1CCC(N2CCC(O)CC2)CC1 95388724 BMACMULSZLYCHF-GOSISDBHSA-N 366.433 1.881 0 50 FDAA COc1cccc([C@H]2CN(C(=O)CN(C)Cc3ccncc3)C[C@@H]2N)c1 91794343 NXOMQLBNUZAVNN-MOPGFXCFSA-N 354.454 1.475 0 50 FDAA COc1ccccc1C(=O)N1CCN(C(=O)c2ccn3cnnc3c2)CC1 97446952 KVJLQHDJYPJEDI-UHFFFAOYSA-N 365.393 1.336 0 50 FDAA COCCn1c(=O)n(C[C@@H]2CCCCN2C)c2cc(C(=O)OC)ccc21 95384597 BTVMSCDHJONYDA-HNNXBMFYSA-N 361.442 1.720 0 50 FDAA Nc1cc(N2CCC(c3nccn3Cc3ccccn3)CC2)nc(N)n1 95511583 NRNAXUOUBLLXBN-UHFFFAOYSA-N 350.430 1.665 0 50 FDAA CN1CCN(C(=O)c2cccc3c2NCCC3)C[C@@]12CCNC(=O)CC2 91327081 XRXDNCRUYCWUNA-HXUWFJFHSA-N 356.470 1.471 0 50 FDAA O=C(NCCNC(=O)c1ccccc1Cl)c1ccnc(-n2cnnc2)c1 97370586 ZKBMIZFOOOWXRR-UHFFFAOYSA-N 370.800 1.476 0 50 FDAA c1ccc(-c2ccnc(N3CCN([C@H]4CN5CCC4CC5)CC3)n2)nc1 96149611 BVDYLNBSCFZVIZ-IBGZPJMESA-N 350.470 1.755 0 50 FDAA COC1CCN(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)CC1 244724509 MVKFWCRAMNBRGV-BQFCYCMXSA-N 368.499 1.314 0 50 FDAA Cc1cccn2c(=O)cc(CN3CCC[C@@H](c4nnc(CO)n4C)C3)nc12 244701096 KACRVEJHHWJSTR-CQSZACIVSA-N 368.441 1.003 0 50 FDAA Cc1nn(CC(=O)N2C[C@@H](C(=O)O)[C@H](C(F)(F)F)C2)c(C)c1Cl 299741252 DDBXNHRSCDMFGJ-RKDXNWHRSA-N 353.728 1.875 0 50 FDAA Cn1nncc1C(=O)N[C@H]1CCO[C@@H]1c1cncc(Br)c1 299742239 JDJMBXWLYLERQL-CMPLNLGQSA-N 352.192 1.233 0 50 FDAA O=C(NCCOc1cccc2cccnc12)N1CCN2C(=O)OC[C@@H]2C1 534670133 ZIUKCSVIPVAMLL-AWEZNQCLSA-N 356.382 1.460 0 50 FDAA COc1ccc(CCC(=O)N2CCCN(C[C@H]3COCCO3)CC2)cc1 450332902 OFTVIIXKTSONQS-IBGZPJMESA-N 362.470 1.578 0 50 FDAA Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cc(=O)n(C)c(=O)n1C 1940196157 OIHBLXNZYNTUFX-UHFFFAOYSA-N 354.366 1.229 0 50 FDAA NC(=O)CN1CCC(C(=O)N2CCC[C@H](Cc3ccc(F)cc3)C2)CC1 91650429 TXKWYODJOASIPF-MRXNPFEDSA-N 361.461 1.804 0 50 FDAA CC[C@H](C(=O)N1CCCN(C(=O)COC)CC1)N1Cc2ccccc2C1=O 299801445 YIZOHZLARYFWIY-QGZVFWFLSA-N 373.453 1.128 0 50 FDAA CN(C(=O)NCc1noc(Cc2cccs2)n1)[C@H]1CCS(=O)(=O)C1 584888565 QJJVHIOZWODOJQ-JTQLQIEISA-N 370.456 1.050 0 50 FDAA O=C(C[C@@H]1NC(=O)c2ccccc21)NCCc1nc(-c2cccnc2)no1 670452398 ZNILQOWSMNMTQZ-HNNXBMFYSA-N 363.377 1.665 0 50 FDAA Cc1nn(C)c(C(=O)N[C@H]2COCC[C@@H]2OCc2ccccn2)c1Cl 1565527410 BGKNCJRWALFSIW-KBPBESRZSA-N 364.833 1.881 0 50 FDAA COC[C@H]1[C@@H](NC(=O)c2ccc(N3CCOCC3)c(C)c2)[C@H]2CCO[C@H]21 1565528763 BHAIVPNRRVOKTL-KCITZHQASA-N 360.454 1.611 0 50 FDAA COCCN(Cc1ccccc1)S(=O)(=O)N1CCC[C@@H](C(=O)O)C1 302885057 PGIRJTAWQABHBI-OAHLLOKOSA-N 356.444 1.176 0 50 FDAA O=C(NC1(c2ncon2)CCOCC1)c1cccc(OCC(F)F)n1 273207435 JYFAPUBJJRFOQU-UHFFFAOYSA-N 354.313 1.544 0 50 FDAA CC1(C)CCC[C@@H]1NCC(=O)N1CCC(C(=O)N2CCOCC2)CC1 191855007 YZNJNDRIGQBSCX-INIZCTEOSA-N 351.491 1.252 0 50 FDAA NS(=O)(=O)CC1CCN(C(=O)NC[C@H]2CCCc3ccccc32)CC1 195499473 DOAQIMHBTYEUKO-MRXNPFEDSA-N 365.499 1.817 0 50 FDAA Cc1nc(O)c(C(=O)N2CCCN(C(=O)[C@@H]3CCCO3)CC2)c(C)c1C 1529112017 FVAYLFYHIDWVJX-HNNXBMFYSA-N 361.442 1.566 0 50 FDAA CNc1nc(N2CCCN(C(=O)[C@@H]3CCCCN3C)CC2)ncc1F 1800407732 AACKQOIOZRQEQQ-AWEZNQCLSA-N 350.442 1.180 0 50 FDAA CCn1c(C)cc(C)c(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c1=O 1704356182 CPYDPHKQCDKESU-SJORKVTESA-N 355.438 1.868 0 50 FDAA O=C(Cc1cccc(Cl)c1)N1CCCN(C[C@H]2COCCO2)CC1 1772818993 NCKPFVDDODWDOR-KRWDZBQOSA-N 352.862 1.832 0 50 FDAA O=C1CN(c2nc3nonc3nc2NC2CCCC2)CCN1C1CCCC1 12438014 JTIITMWGFAJSPE-UHFFFAOYSA-N 371.445 1.959 0 50 FDAA 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VYRMMPRDHRHGEM-IHRRRGAJSA-N 359.426 1.434 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1ccc(-c2cnc[nH]2)cc1 1875400667 IIJYCGAWJWQMRF-MZMPZRCHSA-N 351.410 1.843 0 50 FDAA O=C(N[C@@H]1CCN(C2COC2)C1)[C@H]1CCC(=O)N(c2cccc(F)c2)C1 2325802763 ZZPDPRVTJGURCM-DZGCQCFKSA-N 361.417 1.158 0 50 FDAA CC(C)(C)OC(=O)N1CCN(Cc2nnc3cccnn23)C[C@](C)(F)C1 2325803596 PWMGGNCWRJIYDD-KRWDZBQOSA-N 364.425 1.905 0 50 FDAA CC[C@H](NC(C)=O)C(=O)NS(=O)(=O)c1cccc(OC(F)F)c1 2325820615 LVGOTWLNNFCHIX-NSHDSACASA-N 350.343 1.008 0 50 FDAA C[C@@H](CN=c1nc2sccc2c[nH]1)CNC(=O)[C@@H]1CC(C2CC2)=NO1 2325823823 FUIXEYHQVSJWIJ-YGRLFVJLSA-N 359.455 1.832 0 50 FDAA C=CC(=O)N(CC)CC(=O)Nc1ccc(N2CCN(C(C)=O)CC2)cc1 913780975 WDQSNORRYHVJRH-UHFFFAOYSA-N 358.442 1.328 0 50 FDAA CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C(=O)O)C2=CCC=CC2)cc1 407184 QMDBQVQYGMXFKS-HNNXBMFYSA-N 350.396 1.653 0 50 FDAA CN1CC[C@H](O)[C@@]2(CCCN(C(=O)c3cnc(-c4ccccn4)nc3)C2)C1 2356144593 FFAWKVBMBZKWGI-PXNSSMCTSA-N 367.453 1.457 0 50 FDAA CC1=NN(C)c2nc3c(c(=O)n(Cc4ccc(C)cc4)c(=O)n3C)n2C1 10361262 GHRIMWAIBGSBRH-UHFFFAOYSA-N 352.398 1.079 0 50 FDAA CCc1nn2c(=O)c(NC(=O)c3ccc(OC)c(OC)c3)cnc2s1 9029223 DEXWDANYXGXNHC-UHFFFAOYSA-N 360.395 1.983 0 50 FDAA CN1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 54460100 PXJFBMSBTYZJJS-ZDUSSCGKSA-N 371.528 1.359 0 50 FDAA O=C1CCC(C(=O)N2CCC(Cn3cc(C4CCCC4)nn3)CC2)=NN1 23191498 WUMHGOMRDZRZSI-UHFFFAOYSA-N 358.446 1.440 0 50 FDAA O=C(O)c1nn(CC2CC2)c2c1CN(S(=O)(=O)c1cccnc1)CC2 67947475 UGFDWVYWWCIYJD-UHFFFAOYSA-N 362.411 1.133 0 50 FDAA CC[C@@]1(C(=O)OC)N[C@H](c2ccc(O)cc2Cl)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65459355 MOROHWCRXAGDHB-HPTBWKMGSA-N 366.801 1.243 0 50 FDAA CCn1nc(C)c(C(=O)N2CCC[C@@H](c3nn(C)c(=O)n3CC)C2)c1C 67675887 BHRRGOHZEMQTGC-CQSZACIVSA-N 360.462 1.455 0 50 FDAA Cc1ncsc1-c1nc2ccccc2n1CC(=O)NC[C@@](C)(O)C(=O)O 471441045 BPYHYVVNCYFQCJ-QGZVFWFLSA-N 374.422 1.420 0 50 FDAA COc1ccc(CCN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1OC 34926285 ZZHROOKMEOFOFX-HUUCEWRRSA-N 366.458 1.816 0 50 FDAA O=C1CC[C@H](C(=O)N2CCC(CO)CC2)CN1CCc1cccc(F)c1 39468120 BWYFPFWEWWDFPE-KRWDZBQOSA-N 362.445 1.838 0 50 FDAA O=C(Cc1ccc(Cl)cc1)N1CCOC[C@@](O)(CN2CCCC2)C1 77302636 ZSRJHMHJRPQPBZ-GOSISDBHSA-N 352.862 1.568 0 50 FDAA COC[C@@H](Nc1nccc(-c2cc(C(=O)O)ccn2)n1)c1ccnn1C 72425017 SXMUSFWICFTLCJ-CQSZACIVSA-N 354.370 1.770 0 50 FDAA NC(=O)c1cccc(C[C@H]2CCN(C(=O)CCN3CCCCC3=O)C2)c1 72158714 GUGPGXPJHUFFBP-MRXNPFEDSA-N 357.454 1.579 0 50 FDAA O=C(Cc1cnc2ccccn12)N1CCC(C(=O)O)(n2cccn2)CC1 72424108 UPYOQIVDSRVIFQ-UHFFFAOYSA-N 353.382 1.176 0 50 FDAA Cc1cccc2c(N3CC[C@H](N(C)Cc4cc(O)nc(N)n4)C3)ncnc12 328631501 KNBKTBZLSMVUGD-AWEZNQCLSA-N 365.441 1.727 0 50 FDAA Cc1nnc(CN(C)[C@@H]2CN(c3ncnc4sc(C)cc34)C[C@H]2O)o1 328648450 UOPUTMBRWUZMMO-CHWSQXEVSA-N 360.443 1.373 0 50 FDAA CCOc1ccccc1CN1CCN(c2cc(N)ncn2)C[C@@H]1CCO 72426694 RWUVCXRZIGOCSQ-INIZCTEOSA-N 357.458 1.531 0 50 FDAA Cc1cc(C(=O)NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)nc(O)n1 328619560 GAUBHZBOFXQEEV-VIFPVBQESA-N 355.320 1.698 0 50 FDAA CC(C)(O)CCc1ccc(C(=O)N2CCc3[nH]nc(C(N)=O)c3C2)cc1 72436478 MTKGTPLUWBSDCT-UHFFFAOYSA-N 356.426 1.411 0 50 FDAA NC(=O)[C@H]1CCCN(C(=O)CN2CCC(c3ccccc3CO)CC2)C1 375556058 CJFWURJYGPHOOW-INIZCTEOSA-N 359.470 1.082 0 50 FDAA C[C@H]1NC(=O)CC[C@H]1NC(=O)N1CCc2c(nnn2-c2ccccc2)C1 367774014 XIZDIGZVXLIKLA-TZMCWYRMSA-N 354.414 1.002 0 50 FDAA COCC[C@@H]1COCCN1C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 331857507 XHSWTEGTOMBAKZ-RBUKOAKNSA-N 374.481 1.732 0 50 FDAA Cc1cc(C)cc(-n2ccnc2S(=O)(=O)Cc2nnc3n2CCOC3)c1 369856356 MWEBZGMPRSQFBI-UHFFFAOYSA-N 373.438 1.585 0 50 FDAA Cc1nc2ccc(Cl)cn2c1C(=O)N1CCCN(S(C)(=O)=O)CC1 216264928 OARJGAYYMHDTKL-UHFFFAOYSA-N 370.862 1.404 0 50 FDAA CC[C@@H](NS(=O)(=O)N1CCc2ccccc2C1)[C@@H](O)C(F)(F)F 332706495 KJXAIYTYRLKNRU-CHWSQXEVSA-N 352.378 1.581 0 50 FDAA Cc1cccn2c(CN(C)C[C@@H]3CCCO3)c(C(=O)N3CCOCC3)nc12 71754707 JPTATYJEGXMKDV-INIZCTEOSA-N 372.469 1.726 0 50 FDAA O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)c1cccn2c(O)nnc12 373164878 GWNDCIRTQUXKBP-SNVBAGLBSA-N 359.336 1.722 0 50 FDAA COc1cccc([C@@H]2C[C@H]2NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1 333209100 SWGCWWYXPOGUKH-JKSUJKDBSA-N 367.471 1.228 0 50 FDAA Cc1noc([C@H]2C[C@H](O)CN2C(=O)c2ccc(O[C@H]3CCOC3)cc2)n1 333332742 RFBQUCJPIZQSEY-CWRNSKLLSA-N 359.382 1.494 0 50 FDAA Cc1noc(C)c1CN1C[C@@H]2CC[C@H](C1)CN2C(=O)CCCn1cncn1 1073383645 HIEMXFNIJNXRHE-SJORKVTESA-N 372.473 1.786 0 50 FDAA O=C(NC[C@H]1CCCN(S(=O)(=O)C[C@H]2CCCO2)C1)c1ccco1 374610409 KZKNKTZAGGWKFG-ZIAGYGMSSA-N 356.444 1.230 0 50 FDAA COc1cc(CNC(=O)[C@H]2C[C@H](O)CN2)ccc1OCc1ccccc1 237355386 NIMRKKWEMRGWAD-DLBZAZTESA-N 356.422 1.613 0 50 FDAA CN(C)c1ncc(CN2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)s1 77523685 YGRIPFSBQXNRRL-QGZVFWFLSA-N 352.504 1.406 0 50 FDAA O=C(COc1ccccc1O)N1CCN(Cc2ccccc2)[C@H](CCO)C1 72426137 WAOHSJSJHHIQQF-GOSISDBHSA-N 370.449 1.866 0 50 FDAA C[C@@H](C1CCN(C(=O)c2n[nH]c3c2CCCC3)CC1)N1CCN(C)CC1 77524424 NGCNSVBAGXKNRX-HNNXBMFYSA-N 359.518 1.777 0 50 FDAA CCn1c(N)nc2cc(C(=O)NCc3nc(C)c4c(n3)CCCC4)cnc21 77343520 SRIUFGAUJBWKHC-UHFFFAOYSA-N 365.441 1.941 0 50 FDAA CCCc1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(N)=O)cc2)[nH]n1 223659697 YJKBMXVCWGYZLB-NVXWUHKLSA-N 372.425 1.427 0 50 FDAA CN(C)C[C@H]1CN(C(=O)NCc2nccn2CCc2ccccc2)CCO1 175920714 IOGIZBFAECUBJG-SFHVURJKSA-N 371.485 1.598 0 50 FDAA COc1cccc(C(=O)NCC(=O)N2CCN(C)C[C@H]2c2ccccc2)c1 176014362 HMQMGHGSLYZCRX-IBGZPJMESA-N 367.449 1.940 0 50 FDAA CC(C)N1CCN(c2ccc(C(=O)N(C)Cc3nncn3C)cc2)CC1 288026553 CRXBBUBLDGNKJH-UHFFFAOYSA-N 356.474 1.618 0 50 FDAA Cc1cc(C)n(CCCN(C)C(=O)NCCc2nc(C(=O)O)cs2)n1 426580735 JQYDERVIWBBZPO-UHFFFAOYSA-N 365.459 1.929 0 50 FDAA O=C(N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1)C1(CO)CC1 426656825 BRRIJKQKVXLRPI-LJQANCHMSA-N 360.429 1.939 0 50 FDAA Cn1cc(C(=O)NCc2cccnc2)c(C(=O)NCc2cccnc2)n1 20616762 BOVMPYWKSCQXJS-UHFFFAOYSA-N 350.382 1.070 0 50 FDAA COc1cccc(CN2CCN(C(=O)CCc3ccnn3C)CC2=O)c1 426369084 AOBOBDVYTQTHTI-UHFFFAOYSA-N 356.426 1.232 0 50 FDAA O=C(c1n[nH]c2c1COCC2)N1CCC(c2nnc3n2CCCCC3)CC1 426684562 UMEIUCGJQLIENL-UHFFFAOYSA-N 370.457 1.820 0 50 FDAA CC(=O)c1ccc(N2CCN(C(=O)CN3C(=O)OC(C)(C)C3=O)CC2)cc1 95526458 BLVGATHIJHFRKE-UHFFFAOYSA-N 373.409 1.295 0 50 FDAA CC(C)NC(=O)CN1CCN(Cc2cc(=O)c3cc(F)ccc3[nH]2)CC1 91586838 MHVHRCRJJRYGLV-UHFFFAOYSA-N 360.433 1.309 0 50 FDAA O=C(C1CCC1)N1CCc2[nH]cnc2C12CCN([C@@H]1CCCNC1)CC2 92066127 CNOPSUVUXKESHY-MRXNPFEDSA-N 357.502 1.638 0 50 FDAA CNC(=O)c1ccc([C@H]2CCCN2C(=O)c2[nH]nc3c2CN(C)CC3)s1 97402578 VEFNREAXTUJXFD-CYBMUJFWSA-N 373.482 1.796 0 50 FDAA NC(=O)c1cccnc1N1CCN(C[C@H]2CCOc3ccccc3C2)CC1 95500824 FEVFIELIPCOKBB-INIZCTEOSA-N 366.465 1.944 0 50 FDAA COCCN(C)C(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCOC2)c1 95384290 SCGIXMDZZNBJEE-CQSZACIVSA-N 370.471 1.110 0 50 FDAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(CCOc1ccc(F)cc1)C2 91951429 ZEXBZIGRXURAEQ-GDBMZVCRSA-N 371.478 1.407 0 50 FDAA Cc1ccc2cccc(OCCNC(=O)C[C@H]3C(=O)N(C)C(=O)N3C)c2n1 97259371 UTMNZZVSDNBUCN-AWEZNQCLSA-N 370.409 1.321 0 50 FDAA NC(=O)Cn1ccnc1C1CCN(C(=O)c2cc3ccccc3cn2)CC1 95506196 MTVSHADKJCLKRL-UHFFFAOYSA-N 363.421 1.936 0 50 FDAA Cc1c(S(=O)(=O)N2CCC[C@@H](c3cccc(C(=O)O)c3)C2)cnn1C 95379277 RJTCJMSRYKRRSW-OAHLLOKOSA-N 363.439 1.995 0 50 FDAA Cn1c(N2CC[C@H](O)C2)nc2cc(C(=O)NCC3(O)CCCCC3)ccc21 95363161 FKZAUPYZYJDOHQ-HNNXBMFYSA-N 372.469 1.569 0 50 FDAA Nc1cc(C(=O)N2CC[C@@]3(CCCN(C4CCOCC4)C3=O)C2)ccn1 91551558 GTJGAJWZVOXCOV-IBGZPJMESA-N 358.442 1.298 0 50 FDAA CSc1cccc(CN2C[C@H]3CN(C(=O)N(C)C)C[C@@]3(C(=O)O)C2)c1 96142305 QAEOIZVWIOSBPC-KSSFIOAISA-N 363.483 1.909 0 50 FDAA COc1cccc([C@H]2CN(C(=O)c3cn(-c4ccccc4)nn3)C[C@@H]2N)c1 91858316 UGBJWRKHMCLNEO-MSOLQXFVSA-N 363.421 1.843 0 50 FDAA CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(CC)CC2)N[C@@H]1c1ccccc1 91358873 SIAAQQFDIDRFLF-JKSUJKDBSA-N 358.442 1.030 0 50 FDAA Cn1c(=O)oc2cc(NC(=O)N3CCCO[C@@H](Cn4cccn4)C3)ccc21 95510939 SKDBJVCWNNNOFD-CQSZACIVSA-N 371.397 1.651 0 50 FDAA O=C(COc1ccc(CN2CCN3CCCC[C@H]3C2)cc1)N1CCOCC1 244701112 KAJDODZHDWAUIQ-IBGZPJMESA-N 373.497 1.594 0 50 FDAA O=C(c1n[nH]c2ccc(Cl)cc12)N1CCC[C@@H](n2cc(CO)nn2)C1 295225981 BURYTEVGBFPCNT-GFCCVEGCSA-N 360.805 1.777 0 50 FDAA O=C(C[C@H]1N=C(O)N(Cc2ccco2)C1=O)N[C@@H](CO)Cc1ccccc1 252548791 QLHHBDAYWHCYJC-GDBMZVCRSA-N 371.393 1.014 0 50 FDAA O=C(N[C@@H](CO)c1ccccc1)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 252492154 MEHKPDPRQZQLRK-YOEHRIQHSA-N 364.405 1.766 0 50 FDAA Cc1ccc2[nH]c([C@H]3CCCN(C(=O)Cn4ncn(C)c4=O)C3)nc2c1 182633787 YGPHGQZBVBCQOQ-ZDUSSCGKSA-N 354.414 1.173 0 50 FDAA Cc1cc(C)n(-c2ccc(NC[C@@H]3CCC[C@@H]3NS(C)(=O)=O)nn2)n1 268252446 PRQLICOUGTXMQD-KBPBESRZSA-N 364.475 1.409 0 50 FDAA COCCn1cncc1CNC(=O)c1cccc(-c2nc(OC)n(C)n2)c1 299768238 JFVNDHOHEJLCNR-UHFFFAOYSA-N 370.413 1.264 0 50 FDAA O=C(Cc1cccc(F)c1)N1CCCN(S(=O)(=O)N2CCCC2)CC1 299793416 HPFCCYDXGUONSK-UHFFFAOYSA-N 369.462 1.243 0 50 FDAA COc1ccnc(N2CCN(C(=O)CCc3cn4ccccc4n3)CC2)n1 299789796 AAWQAECKINPJOZ-UHFFFAOYSA-N 366.425 1.414 0 50 FDAA C[C@H](NC(=O)CCN1CCN(C)CC1)c1cnn(-c2ccccc2F)c1 299776285 MXYIVNUPSBIJAE-HNNXBMFYSA-N 359.449 1.826 0 50 FDAA CCOc1cccc(CN(C(=O)NCc2nc(C(=O)NC)no2)C2CC2)c1 584887669 SORHECQTAVBOOV-UHFFFAOYSA-N 373.413 1.702 0 50 FDAA Cc1nc2ncccn2c1C(=O)NCc1nncn1CCc1ccccc1 670445151 SZKZSCLXIFGASB-UHFFFAOYSA-N 361.409 1.802 0 50 FDAA O=S(=O)(NCCN1CCC[C@H](CO)C1)c1cc2ccccc2s1 670460992 HQQPYGSSVVIDFK-ZDUSSCGKSA-N 354.497 1.884 0 50 FDAA COc1ccc(CNC(=O)C2CCN(C(=O)CCn3cnnc3)CC2)cc1 952963491 KMYIRICGNJXVLJ-UHFFFAOYSA-N 371.441 1.232 0 50 FDAA Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N1CCOC[C@H]1C(=O)O 268989356 RLAKNMGJFFTBEF-IJDCCNJMSA-N 355.394 1.814 0 50 FDAA Cc1ccc2nc([C@@H](NC(=O)[C@@H]3CCCN(CC(N)=O)C3)C(C)C)[nH]c2c1 952986202 YUMHHZZLCXSDSX-KDOFPFPSSA-N 371.485 1.882 0 50 FDAA O=C([C@@H]1CNC[C@H](C(=O)N2CCCC2)C1)N1CCC(c2ccncn2)CC1 1565507944 CDTGVSRZWIDVBU-SJORKVTESA-N 371.485 1.031 0 50 FDAA Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC(=O)CCCc1cn[nH]c1 1565509570 NVTJTDMGACMTLO-IRXDYDNUSA-N 362.430 1.828 0 50 FDAA CN(C)C(=O)CO[C@H]1COCC[C@@H]1NC(=O)c1ccc2ncsc2c1 1565530540 FULYVMJWLDCJLQ-JSGCOSHPSA-N 363.439 1.288 0 50 FDAA CCCc1cc(N2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)n2ncnc2n1 408473565 YKTVQVQXAHQGTN-GOEBONIOSA-N 358.446 1.184 0 50 FDAA O=S1(=O)CC[C@H](Cc2nc(-c3cccc(OCC(F)F)n3)no2)C1 273970022 XJKIBJDGJPYQKS-SECBINFHSA-N 359.354 1.753 0 50 FDAA COc1ccc(CNC(=O)CN2CC[C@H](C)C[C@H]2[C@@H](C)O)cc1OC 170604030 RHKCKTMFDARNKO-LZWOXQAQSA-N 350.459 1.801 0 50 FDAA CNS(=O)(=O)CC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 191807021 QNAJMTLCAKZOQE-SNVBAGLBSA-N 366.270 1.238 0 50 FDAA C[C@@H]1Cc2ccccc2N1CCNC(=O)N1CCN(c2cnccn2)CC1 193067833 CVEYZKGJHAMCTJ-MRXNPFEDSA-N 366.469 1.759 0 50 FDAA Cc1n[nH]nc1C(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 194566109 JOIVFKRZURIRHK-UHFFFAOYSA-N 361.353 1.336 0 50 FDAA CCn1cc(S(=O)(=O)NC(=O)[C@H](C)Oc2cccc(Cl)c2)cn1 749219120 ZVXYZWYCKHVPMB-JTQLQIEISA-N 357.819 1.829 0 50 FDAA COc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](N3CCCCC3)C2)cc1Cl 1506398659 WASXGTOQJGGJDT-GJZGRUSLSA-N 374.890 1.568 0 50 FDAA Cc1cc(CC(=O)NC[C@@H](c2cccnc2)N2CCOCC2)cc(C)n1 1800411234 ILIYTVCKEZEHPO-IBGZPJMESA-N 354.454 1.826 0 50 FDAA Cc1nc(N2C[C@@H]3[C@H](CNC(=O)CO)[C@H]4CC[C@]3(C2)O4)c2ccsc2n1 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Cn1ccnc1CN1CCN(C(=O)C[C@@H]2Oc3ccccc3N=C2O)CC1 329108978 FRIDGAODTTZHGU-INIZCTEOSA-N 369.425 1.504 0 50 FDAA NC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1cccc(OC3CCCC3)c1)C2 952850705 OKJMEEFXWMDURW-QRWLVFNGSA-N 358.438 1.972 0 50 FDAA COCCn1nc2c(c1C(=O)N1CCn3nc(C)cc3C1)C[C@H](C)O[C@@H]2C 1875315658 CRYOXVJOXVENBN-UONOGXRCSA-N 373.457 1.713 0 50 FDAA C=CC(=O)N1CCC2(CCC[C@@H]2CNC(=O)[C@]2(CC)CCNC2=O)CC1 1875387941 GNUMIOGDIFQANV-FOIQADDNSA-N 361.486 1.614 0 50 FDAA CN(C)C/C=C/C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1CO 1875377238 WEZXRCPDLUYRKX-WLBISTCBSA-N 355.479 1.228 0 50 FDAA C[C@]1(C(=O)O)CCN(S(=O)(=O)c2cc(C(=O)O)c(F)c(F)c2F)C1 1875353367 QEACMNMWVSFLRS-ZDUSSCGKSA-N 367.301 1.287 0 50 FDAA O=C(CCc1nc2cccc(F)c2[nH]1)N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O 1875402878 NBKFGQQCWBYAOW-DAXOMENPSA-N 371.416 1.787 0 50 FDAA CO[C@@H]1CN(C(=O)CCc2c[nH]c3ccccc23)C[C@H]1c1cn(C)nn1 886075100 AVDGXVXTJKYLQC-MAUKXSAKSA-N 353.426 1.870 0 50 FDAA CC(C)[C@@H]1N(C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc(N3CCCC3)nc1)C2 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CCOC(=O)c1n[nH]cc1[C@@H]1CC(=O)Nc2c1c(-c1ccccn1)nn2C 67690323 WEUUSVFIDWORAM-JTQLQIEISA-N 366.381 1.856 0 50 FDAA O=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)N1CCCC1 170625231 AYFRQVGVPZUPPF-INIZCTEOSA-N 354.410 1.643 0 50 FDAA biogenic Cc1ccsc1[C@@H]1CCN(C(=O)CSc2nnnn2C)C[C@H]1O 67774290 XIIRUYJXJPDFID-GHMZBOCLSA-N 353.473 1.049 0 50 FDAA COc1cc(CN2CC[C@@H](N3CCN(C)CC3)[C@H](O)C2)cc(Cl)c1O 20233185 CGXNHMATNVATKK-HZPDHXFCSA-N 369.893 1.237 0 50 FDAA O=C(c1nonc1NS(=O)(=O)c1ccc2c(c1)CCC2)N1CCCC1 253429746 UKRCNNGSPOIXJP-UHFFFAOYSA-N 362.411 1.595 0 50 FDAA CN1CCN(C)[C@@H](CNC(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)C1 229961215 HUAGVEHKUQRGSL-HNNXBMFYSA-N 373.461 1.170 0 50 FDAA Cc1[nH]c(=O)[nH]c(=O)c1CN1CCO[C@H](Cc2cccc3ccccc23)C1 71745540 PKRNBSGCFIIZAW-QGZVFWFLSA-N 365.433 1.968 0 50 FDAA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C(=O)CCn1cncn1 328624265 CJGIBZLJYGOQKD-KBPBESRZSA-N 351.451 1.801 0 50 FDAA Cn1c(CN2CCCCC2)nnc1C1CCN(S(=O)(=O)C2CC2)CC1 77520491 ADFIPLMGMLXDPI-UHFFFAOYSA-N 367.519 1.473 0 50 FDAA CC[C@@H](C(=O)OC(C)(C)C)N1CC[C@H](N(C)Cc2cc(O)nc(N)n2)C1 481761007 MEOFMPAKCHPJMK-KBPBESRZSA-N 365.478 1.391 0 50 FDAA CN(C)Cc1ccc(N2CCN(C(=O)CCc3cscn3)CC2)nc1 172223596 FMBLQPFCALPHTP-UHFFFAOYSA-N 359.499 1.881 0 50 FDAA Cc1ccc(CN2CCN(C(=O)C3CCC3)[C@@H]3CS(=O)(=O)C[C@@H]32)o1 72463278 CQMVETKOXNHYHK-JKSUJKDBSA-N 352.456 1.198 0 50 FDAA CNC(=O)[C@H]1CCCN1C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 155060786 LIYNMTPVZRHULL-QZTJIDSGSA-N 374.485 1.752 0 50 FDAA COc1cccc(CCC(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CCN)C2)c1 72476234 ATVZFQCDGYMSOD-FUHWJXTLSA-N 359.470 1.426 0 50 FDAA CCn1c(CC2CCN(C(=O)c3cn4cc(C)ccc4n3)CC2)n[nH]c1=O 71681559 FAUAYHVGUPEFHJ-UHFFFAOYSA-N 368.441 1.642 0 50 FDAA CCC(C)(C)C(=O)N1CCC2(CC1)CN(CCN(C)CCOC)C(=O)O2 77457803 JNVCGTBFCLFEOP-UHFFFAOYSA-N 369.506 1.814 0 50 FDAA O=C(NC[C@@H]1CCCN(CCc2ccccc2)C1)c1nc[nH]c1C(=O)O 215758523 YHCRCRYOZUMFST-HNNXBMFYSA-N 356.426 1.792 0 50 FDAA O=C(c1cn(-c2ccccc2)nn1)N1CCN(CCc2ccccn2)CC1 72132993 UFNJTAUPRNNQPH-UHFFFAOYSA-N 362.437 1.663 0 50 FDAA COCc1nnc(-c2cccc(C(=O)N3CC(F)(F)C[C@@H]3CO)c2)o1 372502543 HLTPCXIPGHUXMS-GFCCVEGCSA-N 353.325 1.725 0 50 FDAA O=C(NC[C@@H](c1cccnc1)N1CCCCC1)c1cn2c(n1)CNCC2 72144577 RWVGPSFBKCMXCQ-KRWDZBQOSA-N 354.458 1.338 0 50 FDAA CCCN1CCN(Cc2ccc(OC)c(OC)c2)[C@H]2CS(=O)(=O)C[C@H]21 72421692 ZYLITOAVZKCOJE-CVEARBPZSA-N 368.499 1.397 0 50 FDAA Cn1nccc1C1=CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)CC1 377397709 LEMJSMFJALYQOG-UWWQBHOKSA-N 373.457 1.045 0 50 FDAA CO[C@@H]1CCCOC12CCN(C(=O)Cn1[nH]c3ccccc3c1=O)CC2 214984875 KAFGZZBVJZDIBL-MRXNPFEDSA-N 359.426 1.516 0 50 FDAA O=C(NCCCC(F)(F)F)N1CCC[C@H](N2CCCS2(=O)=O)C1 378352474 VZIUSHKKMUDJGQ-NSHDSACASA-N 357.398 1.538 0 50 FDAA CCOc1ccccc1C(=O)N1CCNC[C@@H]1C(=O)NCc1ccccn1 72149559 OIDQCMFKBHDNAC-QGZVFWFLSA-N 368.437 1.211 0 50 FDAA COc1cccc(Cn2nccc2NC(=O)N2CC[C@@H](C(=O)O)C2)c1OC 263027090 KAEDEIBNMUGWBQ-CYBMUJFWSA-N 374.397 1.887 0 50 FDAA COC(=O)[C@H]1CCN2C(=O)N(c3cc(F)c(OC)cc3OC)C(=O)[C@@H]2C1 285887004 DRANOSNQFIGDJE-CABZTGNLSA-N 366.345 1.563 0 50 FDAA Cn1cc(SCC(=O)NCc2cc3n(n2)CCNC3)c2ccccc21 82098584 BSIBMHCKIQFWBL-UHFFFAOYSA-N 355.467 1.887 0 50 FDAA CC(=O)c1cccc(NC(=O)Cn2nc(-n3nc(C)cc3C)ccc2=O)c1 40285317 ZVUABCOJAOAORP-UHFFFAOYSA-N 365.393 1.887 0 50 FDAA CC(=O)N1CC2(CCN(C(=O)c3ccc(C)c(O)c3)CC2)C[C@H]1C(=O)O 82115863 NMNMFEBTGBHSCY-HNNXBMFYSA-N 360.410 1.628 0 50 FDAA COc1cccc(-c2n[nH]cc2C(=O)NCc2cc3n(n2)CCNC3)c1 82120135 WHZDXAZZTVJFQM-UHFFFAOYSA-N 352.398 1.315 0 50 FDAA C[C@@H]1CN(C2CCN(S(=O)(=O)c3cc(Cl)cnc3N)CC2)CCO1 178638694 SVXONALRYTUDEJ-LLVKDONJSA-N 374.894 1.191 0 50 FDAA Cc1cc(C(F)(F)F)nc(N2CCN(C(=O)[C@H](O)CC(C)C)CC2)n1 95362844 ILEPPXGCAZTHTF-GFCCVEGCSA-N 360.380 1.859 0 50 FDAA O=C(c1coc(CN2CCOCC2)c1)N1CCN(c2ccncc2)CC1 97463699 IQZDVNRKIUTAKC-UHFFFAOYSA-N 356.426 1.469 0 50 FDAA CC[C@H](NC(=O)C1CCN(C(=O)c2ccncc2)CC1)c1ncnn1CC 426604498 MPHISUZOWYPYGH-INIZCTEOSA-N 370.457 1.813 0 50 FDAA CC(C)OC(=O)N1CCC(c2nnc(Cn3cncn3)n2C2CC2)CC1 91664306 HMALMWYOZCTSRQ-UHFFFAOYSA-N 359.434 1.977 0 50 FDAA Cc1cc(C)n(C2CN(C(=O)CN3C[C@H](Cc4ccccc4)CC3=O)C2)n1 95513361 XHMZOGMCTNAKSW-GOSISDBHSA-N 366.465 1.974 0 50 FDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccn(C)n1)CC2 91736572 LSNSZOIPFGBCEV-UHFFFAOYSA-N 356.430 1.069 0 50 FDAA CN1CCN(CCC(=O)N2C[C@@H](C(=O)O)[C@H](c3cccc(F)c3)C2)CC1 91526376 XIWXJAALSMTYBY-DLBZAZTESA-N 363.433 1.090 0 50 FDAA COCCN(C)C[C@@H]1CN(C(=O)c2cc(Cl)ccc2OC)C[C@@H]1CO 91725102 NPEMTRUJITUODN-ZIAGYGMSSA-N 370.877 1.607 0 50 FDAA COc1ccc2c(c1)OC[C@]1(C(=O)O)CN(C(=O)CCn3cccn3)C[C@H]21 95359118 BTLGNZBDMAFRTH-DNVCBOLYSA-N 371.393 1.371 0 50 FDAA CN(Cc1ccccc1C(F)(F)F)C(=O)C[C@@H]1C(=O)N(C)C(=O)N1C 97819532 CXHMWBYRTSRUNA-GFCCVEGCSA-N 357.332 1.946 0 50 FDAA NC(=O)C1(N2CCCCC2)CCN(c2nccc(-c3ccccn3)n2)CC1 96130533 APOAGRPSPYBJIG-UHFFFAOYSA-N 366.469 1.849 0 50 FDAA COc1ccccc1OC1(C(=O)O)CCN(c2ncccc2C(N)=O)CC1 91724928 DBHDZNKTIQSYBU-UHFFFAOYSA-N 371.393 1.692 0 50 FDAA COCCc1nc(-c2ccc(-n3cnnn3)cc2)n(C2CCN(C)CC2)n1 96142307 PXHYTVKMALXVCM-UHFFFAOYSA-N 368.445 1.376 0 50 FDAA 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PPQVTLBJAUSFJS-AWEZNQCLSA-N 370.384 1.748 0 50 FDAA COc1ccccc1C(=O)NCC(=O)N1CCC(c2nccc(C)n2)CC1 363987490 QHYLWHMCALHIML-UHFFFAOYSA-N 368.437 1.930 0 50 FDAA O=C(O)C[C@H]1CSCCN1C(=O)CC[C@H]1Cc2ccccc2NC1=O 262553553 VNHJDSIHIBEWAK-KBPBESRZSA-N 362.451 1.996 0 50 FDAA CS(=O)(=O)c1cccc(CS(=O)(=O)N2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)c1 333028670 BHVWAWUGWJKJGT-NXNVCVFFSA-N 369.508 1.898 0 50 FDAA O=C(NCc1ccccc1)c1nn(CCO)c2c1CN(CC1CC1)CC2 14743263 MAWPFTKWJAHROH-UHFFFAOYSA-N 354.454 1.574 0 50 FDAA CN(C)Cc1nnc([C@H]2C[C@H](NC(=O)c3ccc4c(c3)CCO4)C2)n1C 219539923 CHKCYDSRBFENFT-GASCZTMLSA-N 355.442 1.488 0 50 FDAA C[C@H](CC(=O)NCC1(c2ccccc2)CCN(C)CC1)N1CCOCC1 219949473 QQMLVQZVVRBNOK-GOSISDBHSA-N 359.514 1.877 0 50 FDAA CN1C[C@]2(CCCN(C(=O)c3c[nH]c4ccc(F)cc4c3=O)C2)OC1=O 72143299 DLVHJHCIOBKWLI-SFHVURJKSA-N 359.357 1.724 0 50 FDAA COCCn1cc(CN2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)cn1 377720743 SBWCVBZOBRMABK-IAGOWNOFSA-N 366.462 1.399 0 50 FDAA CNc1ccnc(N2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)n1 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COc1ccc2c(c1)c(C(=O)N1CC[C@@]3(CN(C)C(=O)CO3)C1)c(C)n2C 426612210 BSRUDCYDIHGQNX-HXUWFJFHSA-N 371.437 1.569 0 50 FDAA CC(C)[C@@H]1C(=O)NCCN1C(=O)Nc1cc(F)c2c(c1)NC(=O)CO2 426510298 YNZZXYHCRRDOQG-CYBMUJFWSA-N 350.350 1.145 0 50 FDAA NC(=O)c1ccc(-c2cccc(C(=O)N3CCS(=O)(=O)CC3)c2)s1 426414254 GCWPCJHBZIOOPC-UHFFFAOYSA-N 364.448 1.385 0 50 FDAA Cc1cc(C(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)n(C)n1 177515490 HOAJFLYNKIKXAS-AWEZNQCLSA-N 365.430 1.697 0 50 FDAA Cc1ccc(C(C)(C)NC(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)cc1 426641308 BXMKELGEQHAVKC-OAHLLOKOSA-N 354.472 1.421 0 50 FDAA COc1ccc([C@@H]2CCNC[C@@H]2NC(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1 333647497 JGWADNMEAQIHPX-GBBGEASQSA-N 359.470 1.553 0 50 FDAA CN(C)CCN1CC2(CCC1=O)CCN(C(=O)Cc1ccc(O)cc1)CC2 91738173 RJQABQNKFJBBNY-UHFFFAOYSA-N 373.497 1.728 0 50 FDAA CCOC(=O)Cc1ccc(NC(=O)N[C@H]2C[C@H]3CN(C)CCN3C2)cc1 95526140 AUZVKKYDNNARGM-IRXDYDNUSA-N 360.458 1.302 0 50 FDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cnc(C)cn1)CC2 92037431 AGUOTFLXKUEAGO-UHFFFAOYSA-N 368.441 1.434 0 50 FDAA COc1ccccc1-n1cc(CNC(=O)[C@H](N)c2c(C)n[nH]c2C)cn1 91536018 QMLQIPZCYDEFPD-QGZVFWFLSA-N 354.414 1.537 0 50 FDAA CC(C)=CC[C@@]1(C(=O)O)CCCN(S(=O)(=O)N2CCN(C)CC2)C1 91621378 JPVDEXXNDPJEJR-INIZCTEOSA-N 359.492 1.002 0 50 FDAA CN1CC[C@@]2(CCC1=O)CN(Cc1cnc(-c3ccco3)nc1)CCN2C 95365402 SWJVOEHOTNEHKK-FQEVSTJZSA-N 369.469 1.865 0 50 FDAA CCN1CCC[C@@](C)(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)C1 95363002 RHKNLCZMZNMNJC-QGZVFWFLSA-N 356.463 1.838 0 50 FDAA COCCc1noc([C@H]2CCCN(C(=O)CSc3nc(C)n[nH]3)C2)n1 92066063 XEFCZTONNGAEAI-NSHDSACASA-N 366.447 1.183 0 50 FDAA Cc1nccn1CC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2CC(C)C 91304700 FIHWRWYOHDBBNA-UHFFFAOYSA-N 370.501 1.947 0 50 FDAA CNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCOc3ccccc3C2)c1 95379514 HUPSTRRRERIAFW-CQSZACIVSA-N 374.462 1.966 0 50 FDAA CCc1ccc(C(=O)N2CC[C@H](N3CCOCC3)[C@H](CCC(=O)O)C2)[nH]1 91519116 ZDFGQRVMIWDIEM-PBHICJAKSA-N 363.458 1.605 0 50 FDAA COc1cccc(-n2cc(CN(C)CC(=O)NC[C@H]3CCCO3)cn2)c1 244882815 XZMZEVQIKZVNFK-GOSISDBHSA-N 358.442 1.608 0 50 FDAA O=C(NCc1ccccc1)C1CCN(C(=O)COC[C@H]2CCCO2)CC1 244858599 VODFFJNYCJRMQO-GOSISDBHSA-N 360.454 1.737 0 50 FDAA Cn1cc(S(=O)(=O)N[C@H](c2cnc3ccccc3c2)[C@H]2C[C@@H](O)C2)cn1 243902111 BGDNVJKJQQDOKW-JOQOYGCGSA-N 372.450 1.759 0 50 FDAA CCOCC(=O)N1CCC(C(=O)N(C)Cc2noc(C3CCC3)n2)CC1 244691919 JLGATCUCMJSNRH-UHFFFAOYSA-N 364.446 1.571 0 50 FDAA CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](C)CC)[C@@H](C)CC 255963942 BBQABUDWDUKJMB-LOVFCKMRSA-N 357.495 1.506 0 50 FDAA CCCCn1c(O)nc(O)c([C@@H]2c3cc4c(cc3CCN2C)OCO4)c1=O 263584829 BIKQANKFFJVCMZ-INIZCTEOSA-N 373.409 1.761 0 50 FDAA biogenic CCOc1ccc(-c2ccc(C(=O)NCCc3noc(CO)n3)cc2)nn1 534674685 TYAMXQHEWCLGQK-UHFFFAOYSA-N 369.381 1.390 0 50 FDAA Cc1ccc(S(=O)(=O)c2c(N)n(O)c3ccc(C=O)cc3[n+]2=O)cc1 367975755 NNNSIKIPMATSNJ-UHFFFAOYSA-N 360.371 1.329 0 50 FDAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)N1CCc2nc[nH]c2C1 1940196533 QRIQIVKHVHBZCF-UHFFFAOYSA-N 364.405 1.886 0 50 FDAA NCCCOc1ccc(C(=O)N[C@@H]2CCCN(c3cnccn3)C2)cc1 299791860 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AWCJJVQXLDCPFA-OALUTQOASA-N 366.421 1.922 0 50 FDAA Cc1noc(C)c1CN1CC[C@H](NC(=O)CCc2cccnc2)[C@@H](O)C1 1565527608 BNOOAGPZNPKYAS-ROUUACIJSA-N 358.442 1.371 0 50 FDAA O=C(CCc1n[nH]c2c1CCCC2)N[C@H]1COCC[C@@H]1Oc1ccccn1 1565516985 DFIIKVZCZKUHBS-ROUUACIJSA-N 370.453 1.969 0 50 FDAA C[C@](O)(CNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)C(F)(F)F 270911988 OAHQRERDHPSBIP-CJNGLKHVSA-N 358.360 1.650 0 50 FDAA Cc1nn(C)c2ncc(CN[C@H]3CCCN(c4nccnc4O)C3)cc12 275723019 ZCWVVXFBRZROID-AWEZNQCLSA-N 353.430 1.531 0 50 FDAA COC(=O)[C@@H]1CCN2C(=O)N(c3ccc(-n4cccn4)cc3)C(=O)[C@@H]2C1 277917676 CNTIMQAWLDLACT-DOMZBBRYSA-N 354.366 1.593 0 50 FDAA COCCCn1c(SC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]c1=O 170640008 QQCNODOEOYLLDT-GFCCVEGCSA-N 372.491 1.957 0 50 FDAA CSCC[C@H](NC(C)=O)C(=O)N(C)Cc1ccc2nsnc2c1 1506405632 ATIQFXBZMAJYJN-ZDUSSCGKSA-N 352.485 1.908 0 50 FDAA CN(C(=O)CCCc1nc(-c2ccco2)no1)[C@]1(C)CCS(=O)(=O)C1 1506403606 QFVSBRPAGJZVHO-MRXNPFEDSA-N 367.427 1.688 0 50 FDAA O=C(CCc1ccncc1)N1CC[C@H]2[C@H](CCC(=O)N2CCCCO)C1 216960125 NMDVAZSNDOZJAU-MSOLQXFVSA-N 359.470 1.626 0 50 FDAA O=C(NCC(=O)N1CCCN(CCC(F)(F)F)CC1)c1ccccc1 1529186997 NRCGFZCMAZIIHN-UHFFFAOYSA-N 357.376 1.903 0 50 FDAA Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](F)C[C@@H]2CO)s1 332708568 OGQLXYSSQIAYHM-JGVFFNPUSA-N 358.254 1.912 0 50 FDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc(=O)n(C)c3)C1)CC2 1704315810 WGYOROKGMAGWGU-FQEVSTJZSA-N 367.453 1.362 0 50 FDAA C[C@@]1(O)CCOC2(CCN(C(=O)Cc3cc(F)cc(F)c3)CC2)[C@H]1O 1704343131 TYLGBCAHKQFGGF-DLBZAZTESA-N 355.381 1.401 0 50 FDAA Cc1c(CN2C[C@@H]3COC[C@H](C2)N(C)C3)c(=O)n(-c2ccccc2)n1C 1772703734 NSXKTUIWCILDRV-AEFFLSMTSA-N 356.470 1.247 0 50 FDAA CSCC(=O)N[C@]1(C)CCOC2(CCN(CC=C(C)C)CC2)[C@H]1O 1772709553 OEHZOCDVHFCLBH-DLBZAZTESA-N 356.532 1.806 0 50 FDAA C[C@@H]1C(=O)N2CCC[C@H]2CN1S(=O)(=O)c1ccc2c(c1)OCCCO2 1772709001 MFJNRKPSAVVYBT-OLZOCXBDSA-N 366.439 1.232 0 50 FDAA CC(C)[C@@H]1NC(=O)[C@H]2CN(Cc3cnn(-c4ccccc4)c3)CCN2C1=O 14532693 OGKIGPKDHJQIDI-MSOLQXFVSA-N 367.453 1.040 0 50 FDAA 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O=S(=O)(NCC(F)(F)F)N1CCN(c2cncc3ccccc23)CC1 195467777 OPDMMLPNYJXVFZ-UHFFFAOYSA-N 374.388 1.754 0 50 FDAA Cc1ccc(-c2noc([C@@H](C(C)C)N3CCCS3(=O)=O)n2)c(=O)n1C 771269763 BCFYCSDWYMLCRJ-CYBMUJFWSA-N 366.443 1.476 0 50 FDAA Cc1nn(CCO)cc1CN1C[C@H](Cc2ccnc3ccccc23)[C@@H](O)C1 1615733331 CYWRCAZJLXJKPS-UWJYYQICSA-N 366.465 1.767 0 50 FDAA O=C(CCC(=O)N1CCC[C@@H](C(=O)c2ccccn2)C1)Nc1nncs1 1506431739 XEUGFEIKCUCOEE-GFCCVEGCSA-N 373.438 1.773 0 50 FDAA O=C(c1cccs1)N1CCC[C@H](NS(=O)(=O)N2CCCCC2)C1 1506431456 KUMBPPMNTPHDFQ-ZDUSSCGKSA-N 357.501 1.673 0 50 FDAA O=C(CCn1cnnc1)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1529112242 HKLNHFYCLHCTNO-QAPCUYQASA-N 351.410 1.590 0 50 FDAA Cc1nn[nH]c1C(=O)N1CCCN(C(=O)c2cnc3ccccc3c2)CC1 1529172080 HFTQAQYHEAKLPA-UHFFFAOYSA-N 364.409 1.650 0 50 FDAA O=C(c1cccnc1)N1CCC(N[C@@H]2COC[C@H]2Cc2ccncc2)CC1 1704339132 DYAKNXQAUYDVCP-UYAOXDASSA-N 366.465 1.929 0 50 FDAA COC(=O)c1cc(O)cc(C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)c1 1704359596 UOLODYSXMXFECN-BYCMXARLSA-N 360.410 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0 50 FDAA Cn1nc(-c2ccccc2)c2c(NC(=O)[C@H]3CCNC(=O)CC3)[nH]nc21 815630801 XQMCLOVKOIODOS-GFCCVEGCSA-N 352.398 1.818 0 50 FDAA O=C1Nc2ccccc2C[C@@H]1NC(=O)[C@@H]1NCCc2c1ccc(F)c2F 1875292514 KMSDMMWIWJOXFG-DOTOQJQBSA-N 357.360 1.831 0 50 FDAA Oc1ccc([C@H]2CCCN(c3nnnn3CCCN3CCOCC3)C2)cc1 1875290363 XMUNQJOVDDEOHD-KRWDZBQOSA-N 372.473 1.485 0 50 FDAA NC(=O)c1cncc(C(=O)NC[C@@H](NCc2ccccc2)C(F)(F)F)c1 1875358601 BRZZZXDFPIGRAY-CQSZACIVSA-N 366.343 1.631 0 50 FDAA C[C@]1(NC(=O)c2cc[nH]n2)CCN(C(=O)[C@@H]2CC[C@@]3(C2)CC3(F)F)C1 1875407183 UQMVGWPJROZUMG-XFBWCDHKSA-N 352.385 1.956 0 50 FDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC4(C3)NC(=O)c3ccccc3N4)n[nH]c21 1875404120 VUCYHSFNSNYDHD-MNOVXSKESA-N 367.409 1.440 0 50 FDAA Cc1cc(CNC(=O)c2nc(C)c(C)c(N3CC[C@@H](N(C)C)C3)n2)no1 1875400901 CAQSMJUUOZYEHU-OAHLLOKOSA-N 358.446 1.460 0 50 FDAA CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(Cc2ccccc2F)CC1 888103501 KFFITXVQOYLBOY-RBUKOAKNSA-N 374.460 1.805 0 50 FDAA Cc1nc2ccccc2n1CCNC(=O)N1CCO[C@@H](c2ccnn2C)C1 891619513 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372.860 1.781 0 50 FDAA CCN(CC)CC[C@@H](CO)NS(=O)(=O)c1ccc2c(c1)N(C)CC2 225828679 AUPRVKYMKWYEOB-HNNXBMFYSA-N 355.504 1.050 0 50 FDAA CCN(CC)[C@@H]1CCN(C(=O)c2cc(CN3CCC(O)CC3)on2)C1 67881257 KIQJEPKCJXNFOF-CQSZACIVSA-N 350.463 1.188 0 50 FDAA Cc1ncc2c(c1CNC[C@@]1(O)CCCN(CC3CCC3)C1=O)CCNC2 67785999 GKTCRVFGBQZUNN-NRFANRHFSA-N 372.513 1.279 0 50 FDAA C[C@@H](NC(=O)CN1Cc2ccccc2C[C@H]1C(N)=O)c1ccc(F)cc1 248379241 MEPVYPSPSQCJMH-ACJLOTCBSA-N 355.413 1.915 0 50 FDAA CCOC(=O)N1CCN(Cc2nc(N)nc(Nc3ccc(C)cc3)n2)CC1 20500313 DANUDUBFNSBLCR-UHFFFAOYSA-N 371.445 1.780 0 50 FDAA CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)CCc1ccc(-c2ccc(C)cc2)o1 67852180 DILZDPJYMUDUCW-WBVHZDCISA-N 355.438 1.862 0 50 FDAA O=C1CC[C@@H](C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)N1 68528160 VFDMRMIMVULFFM-LBPRGKRZSA-N 356.348 1.418 0 50 FDAA COc1cc2[nH]c(=O)c([C@@H]3NCCc4[nH]cnc43)cc2c(OC)c1OC 67946695 DTNWKHZHLPKNHU-AWEZNQCLSA-N 356.382 1.512 0 50 FDAA CC(C)Nc1ncc(C(=O)N[C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)cn1 72171578 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1.598 0 50 FDAA COc1ccc(Cl)cc1C(=O)N[C@@H]1CCOC[C@H]1OCC(=O)N(C)C 220221974 LVGPMCLBHSZZAA-UKRRQHHQSA-N 370.833 1.341 0 50 FDAA Cn1nncc1CNCc1ccc(OCCN2CCOCC2)c(Cl)c1 288381625 GEBMFNSYBNBBKD-UHFFFAOYSA-N 365.865 1.469 0 50 FDAA CCc1nc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)c[nH]1 223323416 XCDSJFDDESYLIB-HUUCEWRRSA-N 365.455 1.625 0 50 FDAA O=C1CCC(CCC(=O)N2C[C@@H]3CCN(CCc4ccccc4)[C@@H]3C2)=NN1 82121966 WSSKHWCDYCLPEP-PKOBYXMFSA-N 368.481 1.808 0 50 FDAA CCCOCCN1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 82097348 CXGJXCDPRUZXRU-SFHVURJKSA-N 367.534 1.448 0 50 FDAA O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 41902679 KWIKJGHKJZUWLO-CYBMUJFWSA-N 365.455 1.234 0 50 FDAA CCn1c(CN2CCCC2)nnc1C1CCN(c2nccc(N)n2)CC1 82137064 SYLDKDXXNKTTBN-UHFFFAOYSA-N 356.478 1.650 0 50 FDAA CC(C)[C@@H]1CN(Cc2nnc(-c3ccccc3)o2)C[C@H]1NS(C)(=O)=O 82092617 CZBQJEVYJCMRQJ-LSDHHAIUSA-N 364.471 1.742 0 50 FDAA O=C([C@@H]1CCCN(C2CCN(Cc3ccoc3)CC2)C1)N1CCOCC1 82126737 YWUQDYOCJCWQEZ-GOSISDBHSA-N 361.486 1.815 0 50 FDAA Cc1cc(-c2ccc(C(=O)N[C@@H]3CCCNC3=O)cc2)nc(N(C)C)n1 426371911 BKHAOIJYHMUJNA-OAHLLOKOSA-N 353.426 1.526 0 50 FDAA Cc1cc(NC(=O)NCCN2CCC[C@@H](CO)C2)ccc1N1CCCC1=O 426513510 CIJMAKSLHSPMRO-MRXNPFEDSA-N 374.485 1.948 0 50 FDAA O=C(c1c[nH]c(=O)c(Cl)c1)N1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 95512854 ICEKOSJQNTWZEP-FZKQIMNGSA-N 360.797 1.639 0 50 FDAA O=C(C1CCC1)N1CCc2[nH]cnc2C12CCN(Cc1ncc[nH]1)CC2 91943049 ZSFUPPVYOSFSKI-UHFFFAOYSA-N 354.458 1.809 0 50 FDAA O=C1COc2c(Cl)cc(NC(=O)NC[C@H]3CNCCOC3)cc2N1 97744758 XSRFWQPPDQQPLO-SECBINFHSA-N 354.794 1.028 0 50 FDAA CN(C)CCN1C[C@H](C(=O)N(C)Cc2cc(-c3ccccc3)[nH]n2)CC1=O 95354884 QFCIHJPURYTEFA-MRXNPFEDSA-N 369.469 1.445 0 50 FDAA COCc1noc(CCNC(=O)Nc2ccc(-c3nnc(C)o3)cc2)n1 96164028 QHMLWVHNWKRYJL-UHFFFAOYSA-N 358.358 1.939 0 50 FDAA COCCN1CCC(CN(Cc2ccncc2)C(=O)[C@H]2CCNC2)CC1 95526059 YHZACMVQCWHPMY-IBGZPJMESA-N 360.502 1.378 0 50 FDAA Cc1cc(=O)n(CC(=O)N2CCC(CCN3CCCC3=O)CC2)nc1C 95359560 KODMXBLVKZZWHP-UHFFFAOYSA-N 360.458 1.111 0 50 FDAA CCc1nc(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)cs1 95513367 PGFNZOWOARVOIT-CYBMUJFWSA-N 358.467 1.808 0 50 FDAA C[C@H]1C(=O)NCCN1Cc1cc(-c2ccccn2)ccc1OCC(=O)O 97636702 OQSBGULBNBHTIN-ZDUSSCGKSA-N 355.394 1.532 0 50 FDAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Cc1ccc3c(c1)OCO3)C2 95528465 NQBMHXYRPWJUAW-LSDHHAIUSA-N 360.410 1.054 0 50 FDAA CC(C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](N)C(C)C)CC1)C(=O)O 248087901 TUWPUOCSWFVTOY-TUVASFSCSA-N 355.479 1.118 0 50 FDAA biogenic N[C@H]1CC[C@@H](n2cc(C(=O)NCCC(=O)Nc3ccccc3)nn2)CC1 244564061 CLVTYGWMQWKWBX-OTVXOJSOSA-N 356.430 1.479 0 50 FDAA CCN1Cc2nc(OC)c(CNC(=O)c3cccc4c3OCC4)cc2C1=O 71750171 IVEKVNXBWQKMLF-UHFFFAOYSA-N 367.405 1.931 0 50 FDAA CCCc1noc(CN(C)C(=O)c2cnc(N3CCN(C)CC3)nc2C)n1 299787682 ZDGMEOMJIBWWSM-UHFFFAOYSA-N 373.461 1.145 0 50 FDAA COc1ccc(C(=O)O)nc1-c1cccc(C(=O)N2CCN(C)CC2)c1 584885828 IPRQMFKKHSIWRY-UHFFFAOYSA-N 355.394 1.843 0 50 FDAA O=C(N[C@H]1CCCN(C2CCCC2)C1)N1CCN(C(=O)c2ccc[nH]2)CC1 584893138 CCCWBDSGFUYBEG-INIZCTEOSA-N 373.501 1.889 0 50 FDAA CCCCN1CCN(C(=O)NCCc2noc([C@@H]3CCCO3)n2)CC1 584898517 YHXVAOXUKUNVAR-AWEZNQCLSA-N 351.451 1.591 0 50 FDAA CCN(CCc1nc2ccc(OC)cc2[nH]1)S(=O)(=O)c1cnn(C)c1 952869839 MSXUVDPCAWSPOL-UHFFFAOYSA-N 363.443 1.558 0 50 FDAA CCO[C@H]1COCC[C@@H]1NC(=O)CCCn1cnc2ccccc2c1=O 1565531007 GQTORTZTALZESJ-IRXDYDNUSA-N 359.426 1.487 0 50 FDAA CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)c1nc[nH]n1)CC2 275678774 MDGQYNUCWOCWMY-CQSZACIVSA-N 359.455 1.910 0 50 FDAA C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[C@@H]1c1ccn[nH]1 279161337 IHMFGIUMXMPTCW-CMPLNLGQSA-N 354.457 1.502 0 50 FDAA COc1c(F)ccc(C(=O)N2CCN3[C@H](COC[C@H]3C3CC3)C2)c1F 1615736266 KBGDAFXAQVKLMM-WFASDCNBSA-N 352.381 1.909 0 50 FDAA C[C@@H](C(=O)NC1CCCC1)N1CCC(N2CCC(C(=O)O)CC2)CC1 1506411258 XRTXJYQYDWJJPQ-AWEZNQCLSA-N 351.491 1.695 0 50 FDAA CCS(=O)(=O)C1CN(C(=O)c2nc(C)sc2Br)C1 408471076 XRIMGFNRDJYCJW-UHFFFAOYSA-N 353.263 1.473 0 50 FDAA O=C(c1onc2ncccc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1 1775982545 RMZXWIWJHWKALX-UHFFFAOYSA-N 366.377 1.910 0 50 FDAA CCN(CC)S(=O)(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1 11997957 OPIBKOHYMKGICJ-UHFFFAOYSA-N 374.484 1.420 0 50 FDAA Cc1cccc(CN2CCC[C@@](O)(CN(C)C3CCN(C)CC3)C2=O)c1 12707794 ZJOFRRWBFLWOCB-OAQYLSRUSA-N 359.514 1.875 0 50 FDAA O=C(NCCCn1nnc2ccccc21)c1cn(C[C@@H]2CCCO2)nn1 12753143 WQUPWDXBMRSCNO-ZDUSSCGKSA-N 355.402 1.022 0 50 FDAA CCS(=O)(=O)N1C[C@@H](C(=O)NCc2cccnc2)Oc2ccccc21 16649425 CVMDCUXCCWRNFH-INIZCTEOSA-N 361.423 1.315 0 50 FDAA COc1ccc(CN2C(=O)N[C@H](CCC(=O)Nc3cnn(C)c3)C2=O)cc1 206230744 RVIMXVNLHMAGJX-OAHLLOKOSA-N 371.397 1.268 0 50 FDAA Cc1cc(CN[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)on1 1857527130 JBUYYCUPEVTYKI-CQSZACIVSA-N 358.446 1.460 0 50 FDAA O=C(NCCc1nc(Cc2ccccc2)no1)[C@H]1CCc2ncnn2C1 1857720374 QXJQPNKMEWJRRW-AWEZNQCLSA-N 352.398 1.173 0 50 FDAA CCCO[C@@H]1CC[C@H](C(=O)NCc2nc[nH]n2)C[C@H]1NC(=O)c1ccc[nH]1 1875241130 OULRGZNMVXMLNE-NWANDNLSSA-N 374.445 1.143 0 50 FDAA O=C(O)c1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)o1 238119455 RWTMWZLRZFHNBC-VIFPVBQESA-N 364.304 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CCn1cc(CN2CCC(c3nnc(Cn4ccnc4)n3C)CC2)cn1 91657083 CCMUHUCLSRNBPO-UHFFFAOYSA-N 354.462 1.656 0 50 FDAA Cn1c(=O)n(C)c2cc(CNC(=O)COc3ccc(F)cc3F)ccc21 92047059 UUXGMEIKOYWMEQ-UHFFFAOYSA-N 361.348 1.850 0 50 FDAA COc1ccc2c(c1)OC[C@@H](CNC(=O)Cc1c(C)nc(C)[nH]c1=O)C2 91690944 SNPMIFGMJGMHJR-CYBMUJFWSA-N 357.410 1.305 0 50 FDAA O=C(CN1CCc2ccccc21)N1CCN(Cc2ccccc2)C[C@H](O)C1 95509991 DGTKYQXAPDCISK-FQEVSTJZSA-N 365.477 1.754 0 50 FDAA O=C(COc1cccc(F)c1)N1C[C@@H](CO)C[C@H](CN2CCCC2)C1 91537016 GAHAEUDOXIKVHT-CVEARBPZSA-N 350.434 1.757 0 50 FDAA COCCN(C)C[C@@H]1CN(C(=O)c2csc(C(C)C)n2)C[C@@H]1CO 95382380 MQOXDQSDKOXCBY-ZIAGYGMSSA-N 355.504 1.525 0 50 FDAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)Cn1c(=O)ccc2ccccc21 95523832 HDWJEWSMEVVQLW-QGZVFWFLSA-N 355.438 1.861 0 50 FDAA Cc1cc(C)c2c(N3CCC(C(N)=O)(N4CCCCC4)CC3)ncnc2n1 95355980 CCCBFUZDGWSJCA-UHFFFAOYSA-N 368.485 1.952 0 50 FDAA COCCn1c(CN2CCN(CC3CCC3)CC2)nnc1[C@H]1C[C@@H](N)C1 244787789 QDRHDODQAKNMPX-CALCHBBNSA-N 362.522 1.047 0 50 FDAA 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COCC(=O)N1CCC[C@@H](C(=O)NCc2nncn2C2CCCCC2)C1 95359577 OQWKCQXMSXERRL-CQSZACIVSA-N 363.462 1.285 0 50 FDAA O=C(NCCc1cn2ccsc2n1)[C@H]1CC(=O)N(Cc2ccccn2)C1 92046612 QXXPAOCFETVDJN-ZDUSSCGKSA-N 369.450 1.498 0 50 FDAA Cc1cc(N2CCN(C(=O)[C@H]3CCOc4ccccc4C3)CC2)nc(N)n1 95525772 WXBPEMDFNQLFCY-INIZCTEOSA-N 367.453 1.657 0 50 FDAA CCN(CCO)C[C@@H]1CN(C(=O)c2ccc3ncccc3c2)C[C@@H]1CO 91859794 DYBHTPBBYQNWCF-QZTJIDSGSA-N 357.454 1.230 0 50 FDAA O=C(CCC1CCN(C(=O)c2cc3ncccn3n2)CC1)N1CCOCC1 97527827 LCFYLEBJSJROMR-UHFFFAOYSA-N 371.441 1.221 0 50 FDAA COc1c[nH]c(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cc1=O 97088517 JNDUJDVGXHPCCY-UHFFFAOYSA-N 370.409 1.810 0 50 FDAA CC(C)c1noc(C2CCN(C(=O)CN3C(=O)OC(C)(C)C3=O)CC2)n1 95524242 LLSYRIBELVEFBD-UHFFFAOYSA-N 364.402 1.656 0 50 FDAA O=C(COc1cccnc1)NCc1noc(-c2ccc3c(c2)OCO3)n1 244700976 JXNKNTJLYGFMOV-UHFFFAOYSA-N 354.322 1.556 0 50 FDAA C[C@H]1Cc2cc(C(=O)N3CC[C@](C)(C(=O)O)C3)ccc2N1S(C)(=O)=O 299743376 KPMDLEXSVCBWJT-GTNSWQLSSA-N 366.439 1.334 0 50 FDAA COCCN1C(=O)N[C@@H]2CN(C(=O)c3cc(F)cc(Cl)c3)CC[C@@H]21 299746299 WNCWOWNZLWUFHZ-KGLIPLIRSA-N 355.797 1.734 0 50 FDAA N/C(=C\[N+](=O)[O-])N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 261494748 CCKBESDDDHBMPA-JXMROGBWSA-N 351.716 1.910 0 50 FDAA Cc1nn(C)cc1CNC(=O)c1ccc(-c2cnn(CCC(N)=O)c2)cc1 534635574 QNWYNSSVMIVFRT-UHFFFAOYSA-N 366.425 1.397 0 50 FDAA NC(=O)N1CCC[C@@H](C(=O)N2CCCN(Cc3ccccc3F)CC2)C1 365402544 LAKICPKVDJUAQF-MRXNPFEDSA-N 362.449 1.651 0 50 FDAA Cc1ccc(C)c(CC(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)c1 75041971 LMNAKWDTIRSSRS-UHFFFAOYSA-N 353.488 1.187 0 50 FDAA Cc1ccc(C(=O)NCCN2CCN(c3ncccn3)CC2)n1C(F)F 299796769 OIPVHCANMGTOGJ-UHFFFAOYSA-N 364.400 1.534 0 50 FDAA COCCN1C(=O)N[C@@](Cc2ccccc2Cl)(C2CCNCC2)C1=O 299779390 RMXITXUDKDKUPR-SFHVURJKSA-N 365.861 1.819 0 50 FDAA COCC(=O)N1CC[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@H](O)C1 299759391 HAEMOJZHMJACDG-CHWSQXEVSA-N 360.332 1.043 0 50 FDAA O=C(CCN1CC[C@H]2OCc3cnnn3[C@H]2C1)NCc1ccc(F)cc1 299787457 XBVCZOUODPKHBY-DLBZAZTESA-N 359.405 1.269 0 50 FDAA Cc1nc(C)n(CCCNC(=O)c2nccnc2C(=O)N2CCCCC2)n1 299786870 YBGRMZBLRKYQAF-UHFFFAOYSA-N 371.445 1.131 0 50 FDAA CCCn1ncnc1-c1ccc(C(=O)N[C@H]2CN(C)C[C@@H]2OCC)cc1 584902895 NJDLKNPIIWSWFA-IRXDYDNUSA-N 357.458 1.804 0 50 FDAA Cc1ccc(N2CC[C@H](CNC(=O)[C@H]3CCCN(CC(N)=O)C3)C2)cc1 952868105 BLMJATMZDKZUAE-SJORKVTESA-N 358.486 1.135 0 50 FDAA COCC(=O)N1CCC2(CC1)CN(c1noc(-c3ccccc3)n1)CCO2 952975610 WPIKWZDTVBFNMZ-UHFFFAOYSA-N 372.425 1.581 0 50 FDAA CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)N[C@H]3CNC[C@@H]3O)CC2)cc1 1565527706 BVSFJYFBQWDHNQ-ROUUACIJSA-N 373.497 1.285 0 50 FDAA COc1cccc(CN2CC[C@H](NC(=O)c3ccccn3)[C@@H](O)C2)c1OC 1565527674 ZXRTTZFHJPKEDQ-RDJZCZTQSA-N 371.437 1.464 0 50 FDAA O=C(c1ccnc2[nH]c(O)nc12)N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 1468525665 IHFLDYBTQFYZAB-SCLBCKFNSA-N 356.357 1.604 0 50 FDAA COc1ccc2c(c1)OC[C@H](NC(=O)N1CCC3(CC1)CNC(=O)C3)C2 271122003 JSFVCIPBFCJRAZ-CQSZACIVSA-N 359.426 1.310 0 50 FDAA CCCOc1nc(C(=O)N2CCN3C(=O)NC[C@H]3C2)cc2ccccc12 170654929 GWZMJWIYVJARSX-AWEZNQCLSA-N 354.410 1.873 0 50 FDAA C[C@H](O)CN1C(=O)N[C@@](C)(c2ccc(I)cc2)C1=O 193383904 KQQUKZXLSOCPJB-SDBXPKJASA-N 374.178 1.439 0 50 FDAA CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)OC)cc2)s1 798257551 JAZYZYUCPZXAIP-VIFPVBQESA-N 370.456 1.875 0 50 FDAA NC(=O)c1cc(NC(=O)/C=C/C(=O)Nc2ccc3n[nH]cc3c2)ccc1F 778588764 LNDBJBHWGOBNKB-AATRIKPKSA-N 367.340 1.934 0 50 FDAA CN(C)CCc1nnc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)s1 1506426315 FZNZCCJADCHWOV-ZDUSSCGKSA-N 372.458 1.051 0 50 FDAA O=C([C@H]1CCCCn2nnnc21)N1CCN(CCOc2ccccc2)CC1 1506400350 CXIZBHWSKGYUDE-KRWDZBQOSA-N 370.457 1.164 0 50 FDAA Cc1ncnc(N2CCN(c3nc4ccccc4n3CCO)CC2)c1C 1506402623 UMLHXGXOLITCKP-UHFFFAOYSA-N 352.442 1.762 0 50 FDAA COc1ccccc1[C@H]1CN(C(=O)CCN2CCOCC2)C[C@@H]1C(=O)O 212867691 NULBNWIGABGQEJ-CVEARBPZSA-N 362.426 1.044 0 50 FDAA CNCCN1C(=O)CC[C@@H]2CN(C(=O)c3ccc4c(c3)CCC4)CC[C@@H]21 217024001 RDYZBRGUWNLYEA-MOPGFXCFSA-N 355.482 1.848 0 50 FDAA COc1cc(/C=C2/NC(=O)NC2=O)cc(I)c1OC 1167825 MXXSYVOWIZCUCU-XBXARRHUSA-N 374.134 1.489 0 50 FDAA CN(C)[C@H]1CN(c2noc(-c3ccc(Cl)cc3)c2C(=O)O)C[C@@H]1O 1704311266 BUHSPAPHLQUQIV-RYUDHWBXSA-N 351.790 1.804 0 50 FDAA CCn1nccc1C(=O)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 1772706912 SBVKXMMDUSGPOM-UHFFFAOYSA-N 370.409 1.620 0 50 FDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCCC2)c(OC)c1 12074238 OVMIVAWAPSOUOS-MRXNPFEDSA-N 361.442 1.017 0 50 FDAA CCN(CCO)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 12314472 SPPHIOLJWWFZQH-MRXNPFEDSA-N 371.503 1.060 0 50 FDAA O=C(Cc1ccc2c(c1)OCO2)NCc1cccnc1N1CCOCC1 12386328 AWSMZUIQAKECPH-UHFFFAOYSA-N 355.394 1.506 0 50 FDAA Cc1cccc(N2CCN(c3nc4nonc4nc3NC3CC3)CC2)n1 15069441 IAWXPLOROGREBG-UHFFFAOYSA-N 352.402 1.617 0 50 FDAA N=c1cc(-c2nccn2C[C@@H](c2ccccn2)N2CCOCC2)cc[nH]1 1857704170 GUGHMJYVNTZFOM-KRWDZBQOSA-N 350.426 1.826 0 50 FDAA Cn1nccc1N1CCC[C@H](NC(=O)C2CCN(c3cnccn3)CC2)C1 225566223 RSXNHZFVRVWAGM-INIZCTEOSA-N 369.473 1.212 0 50 FDAA CCN1CCN(S(=O)(=O)c2cc(F)c(F)c(F)c2)C[C@@H]1c1ncc[nH]1 328635447 UTNVSSPMMHTBAV-CYBMUJFWSA-N 374.388 1.895 0 50 FDAA CNC[C@@H]1CCCN(C(=O)CNC(=O)c2cnc3ccccc3c2O)C1 159095569 ARGITNWOOBDXAP-ZDUSSCGKSA-N 356.426 1.128 0 50 FDAA C[C@H](NC(=O)c1cn([C@@H]2CC[C@H]2O)nn1)c1ccc(C(F)(F)F)nc1 913807399 HGRAZBXDSWOLTL-XXILOJSOSA-N 355.320 1.879 0 50 FDAA O[C@]1(Cc2nc(C3CC3)no2)CCCN(CCn2cc(Cl)cn2)C1 818251317 GPXNVRDDKJGLES-INIZCTEOSA-N 351.838 1.867 0 50 FDAA CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C)C[C@H]2CC)cc1 818971843 QOBHEYCRPGOZFI-OAHLLOKOSA-N 353.488 1.080 0 50 FDAA Cc1ccn2ncc(C(=O)N[C@@H]3C[C@]4(C[C@H]3O)CN(C)[C@H]4C(C)C)c2c1 926164688 JHQYSFUJSQNAHW-LBKNJMOBSA-N 356.470 1.852 0 50 FDAA O=C(NS(=O)(=O)CCc1ccccc1F)C(F)(F)C1CCOCC1 851327248 OAEWNWUENXPNEA-UHFFFAOYSA-N 365.373 1.876 0 50 FDAA CNC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1cccc(-n3ccnc3)c1)C2 952851021 CAHGPNYJJJSRIY-BEFAXECRSA-N 354.410 1.097 0 50 FDAA CC(=O)c1ccc2cc(C(=O)N3CCSC[C@H]3S(C)(=O)=O)[nH]c2c1 1875268595 JCFMHBFHNZFEMA-OAHLLOKOSA-N 366.464 1.930 0 50 FDAA CN1CCC[C@]12CCN(C(=O)[C@@H](c1cccc(F)c1)N1CCOCC1)C2 1875283809 CFBVGYXSDDRYJE-UYAOXDASSA-N 361.461 1.896 0 50 FDAA Cn1ncc2c1CCN(C(=O)CC13CC4CC(CC(C4)C1)C3)[C@H]2C(N)=O 1875394367 HCYXEPRZRBCETH-TXTVKVCSSA-N 356.470 1.938 0 50 FDAA O=C(NC[C@H]1[C@H]2c3ccccc3C[C@H]21)N1CCc2c(O)nc(O)nc2C1 1875304004 WGXXKQYFOSGPKW-LZWOXQAQSA-N 352.394 1.541 0 50 FDAA Cc1nccc(N[C@@H]2C[C@H]3CN(C(=O)c4cc(C)c(=O)n(C)c4)C[C@@H]32)n1 1875406183 ZCDNIUDXFOQLAH-CWRNSKLLSA-N 353.426 1.365 0 50 FDAA CCc1nc(N2CC[C@]3(CCN(C(=O)[C@H]4CC45CCC5)C3)C2)[nH]c(=N)n1 1875405738 NJUPRUJHVQYKTI-ACJLOTCBSA-N 356.474 1.466 0 50 FDAA O=S1(=O)CCC2(CC1)C[C@@H]2CN[C@@H](c1ccc(F)cc1)c1nc[nH]n1 1875405425 GBMBJOBYBFGCAU-HIFRSBDPSA-N 364.446 1.838 0 50 FDAA COc1cccc(CCC(=O)N2CCC[C@@](O)(Cc3nncn3C)C2)c1 886095399 VCBSDHMITRLIOG-LJQANCHMSA-N 358.442 1.353 0 50 FDAA CSC(C)(C)[C@H](N)C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O 2100482418 XYRPNXCKOCQRAL-CQSZACIVSA-N 362.499 1.881 0 50 FDAA O=C(c1cnn2c(=O)cc[nH]c12)N1C[C@H](C2CCNCC2)c2ccccc21 2325798854 FGCZOVDVYGCBAM-MRXNPFEDSA-N 363.421 1.766 0 50 FDAA C=CC(=O)N1CCC(C(=O)N[C@@H]2COc3ccc(Cl)cc3C2=O)CC1 2325885760 XBESYEJOCBGVQZ-CQSZACIVSA-N 362.813 1.825 0 50 FDAA O=C(CNC(=O)OCc1ccccc1)N[C@H](Cc1ccc(O)cc1)C(=O)O 2112110 YYPNBRMRXNXSDE-MRXNPFEDSA-N 372.377 1.431 0 50 FDAA biogenic CCC[C@H]1[C@H]2C[C@H](CN(CC(=O)N=c3ccn(C)[nH]3)C2)[C@@H]2CCCCN12 2356155747 LOFCENYJYREAME-MHORFTMASA-N 359.518 1.755 0 50 FDAA Cn1nnc([C@H]2CN(c3nc(-c4ccccc4)nc4c3CCC4)CCO2)n1 2356164874 KDPKMYRSRADIHG-MRXNPFEDSA-N 363.425 1.734 0 50 FDAA C[C@@H](NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccc1)C(=O)O 2983178 QAXOJZDNUSMDAG-MLGOLLRUSA-N 358.369 1.756 0 50 FDAA COCCn1c(=O)c2c(nc3n(-c4ccccc4)c(C)cn23)n(C)c1=O 6804485 UVTMCGKCEAHCRK-UHFFFAOYSA-N 353.382 1.093 0 50 FDAA CN1CCN(C(=O)c2cc(COc3ccc(-n4cncn4)cc3)on2)CC1 55254181 SAAZHOBCPKRXTH-UHFFFAOYSA-N 368.397 1.222 0 50 FDAA O=C(Cn1ncc2ccccc2c1=O)Nc1cc(C2CCOCC2)[nH]n1 464281578 UCJBXXCOCGOGIA-UHFFFAOYSA-N 353.382 1.652 0 50 FDAA Cc1nc(-c2ccsc2)ccc1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 116830094 IOVZKSPOUXFFOV-ZDUSSCGKSA-N 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372.425 1.460 0 50 FDAA COc1ccc2cnn(CC(=O)NC[C@H]3C[C@H]4C=C[C@H]3C4)c(=O)c2c1OC 101673766 UQAGHUKJCHLUCS-KCQAQPDRSA-N 369.421 1.742 0 50 FDAA C[C@H]1CCCCN1c1ccc(C(N)=O)cc1NC(=O)c1ccc(O)nn1 55243936 MSVFRQFKFDRDSD-NSHDSACASA-N 355.398 1.912 0 50 FDAA C[C@H](CNS(=O)(=O)c1c(Cl)ccc(F)c1F)N1CCOCC1 225834003 YSBQUYIIWNTPTF-SECBINFHSA-N 354.806 1.617 0 50 FDAA COc1cc(F)ccc1N1CCN(C(=O)CS(=O)(=O)C(C)C)CC1 115126687 WXPDVVDBNWTVFF-UHFFFAOYSA-N 358.435 1.306 0 50 FDAA CNC(=O)c1ccc(S(=O)(=O)NCCC(=O)NC2CCCCC2)cc1 56130453 MCLYPVJOLSRBGV-UHFFFAOYSA-N 367.471 1.164 0 50 FDAA CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1c(C)nn2c(C)cc(C)nc12 67820933 KWSJIDVKYXNKCO-CABCVRRESA-N 372.473 1.065 0 50 FDAA CCn1c([C@@H]2CCCNC2)nn(Cc2cc(-c3cccnc3)no2)c1=O 67727029 RCKJAENDZLLXAO-CQSZACIVSA-N 354.414 1.630 0 50 FDAA NC(=O)C1(C(=O)N2CCO[C@@H](Cc3cccc(C(F)(F)F)c3)C2)CC1 20779701 PDJJDFPNLSJISS-ZDUSSCGKSA-N 356.344 1.741 0 50 FDAA CCCN1CCN(CCNC(=O)Nc2cc(OC)cc(OC)c2)CC1 20707406 NZDLFZDCAAQMHT-UHFFFAOYSA-N 350.463 1.853 0 50 FDAA CN1CC[C@H](c2nc(-c3ccc(OCC(F)F)nc3)no2)S1(=O)=O 351371385 NXGNLVQFJZNBGL-SECBINFHSA-N 360.342 1.482 0 50 FDAA Cc1nn(C)c(C)c1[C@H]1[C@H](NCc2nnc(C3CCC3)o2)CC(=O)N1C 328638856 WPUDXSIFDBILFB-CXAGYDPISA-N 358.446 1.749 0 50 FDAA CC[C@@H]1CC[C@H](C(=O)N2CCS(=O)(=O)C[C@H]2c2cnn(CC)c2)O1 328629366 OTTYSTGAGPDGQH-QLFBSQMISA-N 355.460 1.159 0 50 FDAA C[C@@]1(C(N)=O)CCN(Cc2nc(O)c3cnn(-c4ccccc4)c3n2)C1 280710862 JGJOJQREHSRVBR-GOSISDBHSA-N 352.398 1.218 0 50 FDAA Cc1cccc(N2CCN(CC(=O)N3[C@H]4CC[C@@H]3CC(=O)N(C)C4)CC2)c1 67771020 DMNFKWUZHSIQDI-MOPGFXCFSA-N 370.497 1.339 0 50 FDAA Cc1c[nH]c(CNc2ncnc3c2CCN(C(=O)C2CC2)C3)c(C)c1=O 71405689 QEVLKCFLAFJNAY-UHFFFAOYSA-N 353.426 1.689 0 50 FDAA CCN(C)CC(=O)N1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1 72438465 PYXWJQOXYUWMHI-UHFFFAOYSA-N 361.490 1.279 0 50 FDAA Cc1nc(CC(=O)N2CCO[C@H](c3ccnc(N4CCCC4)n3)C2)cs1 328627181 MOBIQQWNXMPROC-INIZCTEOSA-N 373.482 1.984 0 50 FDAA C[C@@]1(CNS(=O)(=O)c2cnc3n2CCC3)OCCc2sccc21 329796183 WTFLYMZEHDPBLA-HNNXBMFYSA-N 353.469 1.657 0 50 FDAA Cc1nc(S(=O)(=O)N2CCN(c3nc(C4CC4)ns3)CC2)cs1 330109207 OVVDWEJUBBFYDT-UHFFFAOYSA-N 371.513 1.691 0 50 FDAA O=C([C@H]1CCCN(Cc2ccccc2)C1)N1CCN([C@H]2CCOC2)CC1 363548151 WRBZUHQACMHRER-PMACEKPBSA-N 357.498 1.832 0 50 FDAA Cn1ncc2c(NCCNC(=O)c3cccnc3)nc(C(C)(C)C)nc21 72125238 UVHJFMYWLDTEKI-UHFFFAOYSA-N 353.430 1.898 0 50 FDAA CO[C@@H]1C[C@@H](c2ncc(-c3cccnc3)[nH]2)N(C(=O)Cn2cccn2)C1 367031938 XTNSYOSGTYXKRG-ZBFHGGJFSA-N 352.398 1.657 0 50 FDAA Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1c2ccccc2CC12CCOCC2 368242652 JJMFHUANCCGNGO-QGZVFWFLSA-N 353.422 1.948 0 50 FDAA COC(=O)c1coc(CN2CCN(c3ccc(OC)cc3)C(=O)[C@H]2C)n1 77470083 PBKLGBROUIZIKH-GFCCVEGCSA-N 359.382 1.707 0 50 FDAA O=C(c1cccc(OC(F)F)c1)N1CCOC[C@](O)(CN2CCCC2)C1 77505216 FZSOCLKQSGPTTQ-SFHVURJKSA-N 370.396 1.587 0 50 FDAA CN(C)CCN1CC2(CCN(C(=O)CCC(F)(F)F)CC2)OC1=O 77287510 GRRIWAGVFIIIAF-UHFFFAOYSA-N 351.369 1.704 0 50 FDAA O=C(c1cn2c(n1)CNCC2)N1CCC[C@@H]1c1nc(-c2cccnc2)no1 72133010 LPWZSCVHZWQFGN-CQSZACIVSA-N 365.397 1.409 0 50 FDAA CCc1ccc(C(=O)O)cc1S(=O)(=O)N1CC[C@H](N2CCCC2)C1 236970724 NLAPOSNEDCYBDD-HNNXBMFYSA-N 352.456 1.806 0 50 FDAA COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CCC[C@@H]2CN)c1 237332611 NXWGPYNEVQXYCM-BXKDBHETSA-N 363.277 1.863 0 50 FDAA CN(C)c1ncnc2c1CCN(C(=O)COCc1nc3ccccc3[nH]1)C2 72138950 FTCJJKLKMVYXRZ-UHFFFAOYSA-N 366.425 1.520 0 50 FDAA NCC(=O)Nc1nn(-c2ccc(F)cc2)c2cccc(N3CCOCC3)c12 77424396 UUTOZMQQPBZUSI-UHFFFAOYSA-N 369.400 1.898 0 50 FDAA CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(Cn2cc(C3CC3)nn2)CC1 48219824 JPBYNOXNVLAVCU-KRWDZBQOSA-N 361.490 1.945 0 50 FDAA COc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccncc3)n2)c(F)c1 44901299 HKERLBMESGJGFL-UHFFFAOYSA-N 368.368 1.769 0 50 FDAA Cn1cc(C(=O)NCC2CCN(C(=O)CCC3CCNCC3)CC2)cn1 263126733 BHVPQQDYNGQYKR-UHFFFAOYSA-N 361.490 1.168 0 50 FDAA O=C(Nc1ccccc1Cl)N1CCN(S(=O)(=O)N2CCCC2)CC1 43146525 FLTXJRLFTUJBPZ-UHFFFAOYSA-N 372.878 1.830 0 50 FDAA COC(=O)c1ccc(N2CCN(C(=O)[C@H]3[C@@H](N)[C@H]4CC[C@@H]3C4)CC2)cc1 82096612 UEZVUUXWKVLEAJ-ATLSCFEFSA-N 357.454 1.495 0 50 FDAA Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N(C)C[C@@H]1CCOC1 177344573 PZRCFXJXJSHOQQ-ZDUSSCGKSA-N 352.456 1.544 0 50 FDAA CN(C)C(=O)[C@H]1CC[C@@H](C(=O)Nc2ccc(OCc3nccn3C)cc2)O1 286750672 RFDXISIPYJOBRS-JKSUJKDBSA-N 372.425 1.573 0 50 FDAA Cc1cc2nc(CCC(=O)N3CC[C@H](CS(N)(=O)=O)C3)[nH]c2cc1C 426422750 DSMAGTPKNDVSEB-ZDUSSCGKSA-N 364.471 1.249 0 50 FDAA COc1ccccc1N1CCN(C(=O)C2(Cn3cccn3)CC2)CC1=O 426604221 DPDVWFINOOJSDQ-UHFFFAOYSA-N 354.410 1.547 0 50 FDAA O=C1CC[C@]2(CCCN(C(=O)c3ccc[nH]3)C2)CN1CCc1c[nH]cn1 82091720 SSURDJQQYPBSKE-LJQANCHMSA-N 355.442 1.825 0 50 FDAA OCCn1nc(C2CCCC2)nc1CN1CCN(c2ncccn2)CC1 96162616 WRZCZHJKTJGOKI-UHFFFAOYSA-N 357.462 1.040 0 50 FDAA O=C(NCc1ccc2c(c1)OCCO2)N[C@@H]1CCN(c2ccccn2)C1 178671914 DPRPYKHZUMTJPQ-OAHLLOKOSA-N 354.410 1.931 0 50 FDAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CSc1nncn1C)C2 91574740 ZWFMPFPPTWLUJS-UONOGXRCSA-N 363.487 1.323 0 50 FDAA CNC(=O)CN1C[C@H](C2CC2)[C@@H](NC(=O)CCc2cccc(OC)c2)C1 91320377 OYGARFDMHIPCBO-MSOLQXFVSA-N 359.470 1.200 0 50 FDAA CCn1c(Cn2cncn2)nnc1C1CCN(C(=O)c2cc[nH]c2C)CC1 91846889 DKDQGAXITCOLLM-UHFFFAOYSA-N 368.445 1.594 0 50 FDAA O=C(NC1CCN(Cc2ccccn2)CC1)c1cnc(C2CC2)[nH]c1=O 97660710 CAEMMNKJTGDMEM-UHFFFAOYSA-N 353.426 1.437 0 50 FDAA COc1ccc2c(c1)[C@H](C(=O)NCc1ncc3c(n1)CCC3)CC(=O)N2 91462470 FJYJWPCANGXJEL-CQSZACIVSA-N 352.394 1.716 0 50 FDAA O=C(NCC(F)F)c1ccc(S(=O)(=O)NCCc2ccncc2)cc1 91997573 GJPSVHAACFVZJY-UHFFFAOYSA-N 369.393 1.598 0 50 FDAA Cc1ccc(N(C)C)cc1NC(=O)N1CCCN([C@H]2COC[C@@H]2O)CC1 97522217 VRZZRBINDJCRIB-ROUUACIJSA-N 362.474 1.360 0 50 FDAA CN1CCC[C@@H](CCC(=O)N2CCc3c(nc(CC4CC4)[nH]c3=O)C2)C1 95363308 NILOSRHGDNMKNU-HNNXBMFYSA-N 358.486 1.729 0 50 FDAA C[C@H](c1nc(CC(N)=O)nn1CCO)N1C(=O)c2cccc3cccc1c23 96138582 XIGRYWRJVREVTA-LLVKDONJSA-N 365.393 1.173 0 50 FDAA CC(=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 239235753 WPXOSXRZINNFBH-IJPPCXMXSA-N 365.385 1.848 0 50 FDAA CC(C)(C)n1nc(CCc2ccccc2)nc1Cn1ccc(=O)[nH]c1=O 96149579 MHDAHDGMVDFIRV-UHFFFAOYSA-N 353.426 1.717 0 50 FDAA CC(C)Cc1cc(C(=O)N2CCN(CC(C)C)[C@H](CCO)C2)nc(=O)[nH]1 230559366 HMZQMQDZLLRVFT-MRXNPFEDSA-N 364.490 1.133 0 50 FDAA COCCN(C)CCC(=O)N1CCc2[nH]c(-c3cccc(OC)c3)nc2C1 96162133 XBGYQMQEYYAOLR-UHFFFAOYSA-N 372.469 1.938 0 50 FDAA CC1(C)C[C@@](CCNC(=O)CN2C(=O)CNC2=O)(c2ccccc2)CCO1 243932311 BURPCYCOYRGLBS-FQEVSTJZSA-N 373.453 1.572 0 50 FDAA COc1cc(C)c([C@H](C)NC(=O)Cn2cnc3c(c2=O)CCC3)cc1OC 184083505 AJFLXJNTHGZCBN-ZDUSSCGKSA-N 371.437 1.935 0 50 FDAA Cn1ccnc1CN(C(=O)C[C@H](N)c1ccccc1)[C@H]1CC12CCNCC2 296201480 OIVISWLRGBEXKD-ROUUACIJSA-N 367.497 1.981 0 50 FDAA CC[C@@H](C)[C@H](CO)NC(=O)Cn1ccc2c(NS(C)(=O)=O)cccc21 252500460 SWBABRVMDZXPGN-DOMZBBRYSA-N 367.471 1.536 0 50 FDAA Cc1nccc(N2CCN(Cc3cc(=O)n4cccc(C)c4n3)CC2)n1 183761613 OWHFNYRTHMGCJH-UHFFFAOYSA-N 350.426 1.424 0 50 FDAA Cn1cc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)c(=O)c2ccccc21 252490433 KTIGJMYSLOQIAO-MRXNPFEDSA-N 369.465 1.912 0 50 FDAA CCCCN1CCN(C(=O)c2ccc(-c3ccc(=O)n(C)n3)cc2)CC1=O 534634122 PEIXVEMCKHDLKX-UHFFFAOYSA-N 368.437 1.532 0 50 FDAA C[C@@H](NC(=O)N1CCOc2ccc(CO)cc2C1)c1cn2ncsc2n1 534674513 GPHNMTNSPUBSHF-LLVKDONJSA-N 373.438 1.948 0 50 FDAA COc1nc2c(cc1CN1C[C@@H]3COC[C@H](C1)N(C)C3)C(=O)N(C(C)C)C2 1940195257 RFRAXXBANJDLOE-ZBFHGGJFSA-N 374.485 1.217 0 50 FDAA COCC(=O)N1CCCN(CCC(=O)Nc2ccc(C)c(F)c2)CC1 299770609 WVQLTMZSWYONCV-UHFFFAOYSA-N 351.422 1.643 0 50 FDAA O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1ccccc1-n1cnnc1 299762295 SYYFKIPFBNVTBW-MRXNPFEDSA-N 355.442 1.641 0 50 FDAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cnc(N)nc1-c1ccccc1 299761022 TWWBFKVCFSEVQY-HOTGVXAUSA-N 355.442 1.563 0 50 FDAA Cc1c(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)cnn1-c1ccccn1 299800748 IOYLFFGDCWIHQB-JKSUJKDBSA-N 365.397 1.153 0 50 FDAA COc1ccc(C(=O)O)cc1S(=O)(=O)NCCn1cnc(C)c1C 824742925 YRPLCMQCWHIDEG-UHFFFAOYSA-N 353.400 1.185 0 50 FDAA CCCO[C@H](C)CNC(=O)N1CCN(Cc2ccc(F)cc2)C(=O)C1 584891587 MOUBQBAPHADOLZ-CQSZACIVSA-N 351.422 1.995 0 50 FDAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)C1CCN(C(=O)C2CCC2)CC1 952985233 FOBNMIVIFIIZQX-QGZVFWFLSA-N 363.502 1.885 0 50 FDAA CCOc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(CC(N)=O)C2)cc1F 952869757 ZSCCMZYORSKZEZ-TZMCWYRMSA-N 351.422 1.599 0 50 FDAA Cn1nc(C(=O)N2C[C@@H]3CC[C@H]2CN(c2ncccn2)C3)c2c1CCCC2 1565506284 CAJYTTKNILKBSV-CABCVRRESA-N 366.469 1.830 0 50 FDAA O=C(Cc1c(F)cccc1F)N[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1O 1565517178 KULQNAJIAPNHGG-ROUUACIJSA-N 374.387 1.899 0 50 FDAA NS(=O)(=O)Cc1cccc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)c1 268953253 VNFRFXJZITWARJ-CFVMTHIKSA-N 366.439 1.333 0 50 FDAA O=C(c1cn[nH]c1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 194835368 VQLYXHKSJWTHGW-MRXNPFEDSA-N 354.458 1.479 0 50 FDAA Nc1nc(CCC(=O)N2CCCN(C(=O)C3CCOCC3)CC2)cs1 1529119860 NCWJYHZQSBBYHG-UHFFFAOYSA-N 366.487 1.145 0 50 FDAA CCCc1nc(CN(C)C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)no1 1529196820 HYAQVWRHBPYFAH-SJORKVTESA-N 358.398 1.237 0 50 FDAA CCn1ccc(CN2C[C@@H]3COC[C@H](C2)N(C(=O)Cc2cccnc2)C3)n1 1704315930 RRSLKAMNZOUQOE-HKUYNNGSSA-N 369.469 1.200 0 50 FDAA CCCN1C(=O)CC[C@@H]2CN(C(=O)CCc3csc(N)n3)CC[C@@H]21 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C[C@@H]1COC[C@@](CO)(CN=c2[nH]nc(-c3ccco3)cc2C(F)(F)F)N1 1875395006 GGTCVCUAYYCNPU-BMIGLBTASA-N 372.347 1.329 0 50 FDAA CC(C)[C@H](C(=O)N1C[C@H](NC(=O)[C@H]2C[C@@H]2C)CC2(CC2)C1)n1cnnc1 1875406663 JJJXSFVFWCCDGZ-XUWVNRHRSA-N 359.474 1.629 0 50 FDAA Cc1cc(Cl)ccc1C(=O)N1CCN([C@]2(C(N)=O)CCOC2)CC1 886096395 DSONGUYDIGMYSQ-QGZVFWFLSA-N 351.834 1.051 0 50 FDAA Cc1ccc([C@]23C[C@H]2CN(C(=O)C(=O)NCCc2ccncc2F)C3)cc1 2325784419 CNIJROVNCUHYQF-LAUBAEHRSA-N 367.424 1.988 0 50 FDAA CC(C)(C)c1ccc([C@H](N)C(=O)NS(=O)(=O)c2nccs2)cc1 2325851764 IMZIQZZULQTFMD-LBPRGKRZSA-N 353.469 1.946 0 50 FDAA CN1CC[C@@H](C(=O)Nc2ncc(S(=O)(=O)NC(C)(C)C)s2)CC1=O 1438531350 RQCZMJXVNLHDMM-SECBINFHSA-N 374.488 1.027 0 50 FDAA COC1(CC(=O)N[C@H]2CC3(CN(C(=O)C4CCC4)C3)n3ccnc32)CCC1 2332237993 UASHOVPCOZITOM-HNNXBMFYSA-N 372.469 1.741 0 50 FDAA Cn1ncc(N2CCN(C(=O)c3csc4c3CCCC4)CC2)cc1=O 20541249 DQTYEBZZUYOLML-UHFFFAOYSA-N 358.467 1.683 0 50 FDAA COCCN1CCC[C@]2(CCCN2C(=O)CN(C)Cc2ccncc2)C1=O 2356138377 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360.487 1.195 0 50 FDAA CCOc1ccccc1OCCN1C(=O)N[C@@](C)(C2CCNCC2)C1=O 67785765 OMYUDAJWTQHSJM-IBGZPJMESA-N 361.442 1.774 0 50 FDAA CN(C)CCN(Cn1nnc2ccccc21)Cn1nnc2ccccc21 22593953 XOVLQSRPZALDEZ-UHFFFAOYSA-N 350.430 1.655 0 50 FDAA C[C@@H](O)CNc1ccc(C(=O)N2CCCN(c3ncccn3)CC2)cn1 67472902 WOWWSOJKBIRWSZ-CQSZACIVSA-N 356.430 1.017 0 50 FDAA CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)c2cccn2C(C)C)cn1 328644824 ZKIGIFOGBBIGDS-MRXNPFEDSA-N 364.471 1.897 0 50 FDAA COC(=O)CN(Cc1cc(OC)cc(OC)c1)C(=O)[C@H](N)CC(F)F 423759006 LBJZIVFTQFMREE-CYBMUJFWSA-N 360.357 1.188 0 50 FDAA C[C@@H](CC(=O)N1CCC[C@@H](S(C)(=O)=O)CC1)NC(=O)c1ccccc1 253398233 ANMIFRBHNGPFOW-GOEBONIOSA-N 366.483 1.621 0 50 FDAA C[C@@](CO)(CNC(=O)CCOc1cccc(C(N)=O)c1)Cc1ccccc1 252496073 PESDLCVWAMGKMW-NRFANRHFSA-N 370.449 1.912 0 50 FDAA CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)Cc1ccc2[nH]c(C)nc2c1 67739868 BBSBZCKXSCOGNS-PBHICJAKSA-N 357.458 1.210 0 50 FDAA CCOC(=O)c1nnn(-c2nc(C)cc(C(F)(F)F)n2)c1C(=O)OCC 1399783 PYGPGGISYNNJCP-UHFFFAOYSA-N 373.291 1.738 0 50 FDAA Cc1nn(CCc2nc3c4cnn(C)c4ncn3n2)cc1Br 2802193 ABWIJQJDZQWHFH-UHFFFAOYSA-N 361.207 1.521 0 50 FDAA CN(C)C[C@@H]1CCN(c2nc(-c3ccncc3)nc3c2cnn3C)C[C@H]1O 72173956 FUMGIGUVARBRPW-GOEBONIOSA-N 367.457 1.174 0 50 FDAA Cc1c(Br)c(C(=O)N2N=CC[C@@]2(O)C(F)(F)F)nn1C 6921082 RBLJRRCYPYOKHS-SECBINFHSA-N 355.114 1.574 0 50 FDAA Nc1nccc(C2CCN(C(=O)c3ccccc3N3CCOCC3)CC2)n1 217057651 AOXIWKHUWJSYHG-UHFFFAOYSA-N 367.453 1.915 0 50 FDAA CN(Cc1csc(-c2ccccc2)n1)C(=O)Cc1c[nH]c(=O)n(C)c1=O 72426390 OPODUKJQNBQOOM-UHFFFAOYSA-N 370.434 1.398 0 50 FDAA Cn1cccc1[C@@H]1COCCN1C(=O)[C@H]1CCS(=O)(=O)c2ccccc21 367690913 UUBMGOPGCQBOGS-RDJZCZTQSA-N 374.462 1.886 0 50 FDAA O=C(O)CCc1cc2n(n1)CCCN(C(=O)c1ccnn1C(F)F)C2 72481176 YHGASWYSRZHRBA-UHFFFAOYSA-N 353.329 1.538 0 50 FDAA CN1C[C@@H](C(=O)Nc2ccc(C(=O)NC3CCCCC3)c(O)c2)CC1=O 331601367 ISVVPFIDCHNSRG-LBPRGKRZSA-N 359.426 1.872 0 50 FDAA O=C(C[C@H]1C(=O)NCCN1C1CCCC1)NCCc1c[nH]c2ccccc12 12751370 PVZPSPLDRULPLD-IBGZPJMESA-N 368.481 1.960 0 50 FDAA 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Cc1ccc(C(N)=O)c(N2CCN(CCc3ccccc3)[C@H](CCO)C2)n1 72426956 OAVLDJFRDRYRIS-GOSISDBHSA-N 368.481 1.605 0 50 FDAA O=C1CN(C(=O)CCCC(=O)Nc2nc3c(s2)CCCCC3)CCN1 40268210 LOSHQLHSDSDGSN-UHFFFAOYSA-N 364.471 1.479 0 50 FDAA CNC(=O)c1ccc(CN2C(=O)C3(CCNCC3)Nc3ccccc32)o1 82107977 KJXHJWGMJOVLCX-UHFFFAOYSA-N 354.410 1.720 0 50 FDAA CCNc1cc(C)nc(NCCNS(=O)(=O)c2ccccc2F)n1 82230371 XLTXZHZQBCEYRW-UHFFFAOYSA-N 353.423 1.746 0 50 FDAA Cc1ccc(F)c(CNC(=O)N2CC[C@]3(CN(C)C(=O)CO3)C2)c1F 426727540 UIQDCJSLWHYTMU-KRWDZBQOSA-N 353.369 1.416 0 50 FDAA Cc1c(C(=O)N2CC[C@H](CN)C2)nnn1-c1ccc(OC(F)F)cc1 178572532 DWKAXRBIGJMGGW-LLVKDONJSA-N 351.357 1.598 0 50 FDAA O=C(O)c1cn(CCc2ccccc2)cc(C(=O)N2CCC[C@@H]2CO)c1=O 426700084 RUUISMPUCALOPP-OAHLLOKOSA-N 370.405 1.386 0 50 FDAA O=C(O)Cn1nccc1[C@@H]1CCCN(C(=O)CCc2cc(Cl)no2)C1 426507898 OCJHIYMDAOQDPL-LLVKDONJSA-N 366.805 1.948 0 50 FDAA CN(C)C(=O)CCC(=O)N1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 48179262 UVLJDLHMFOUTKH-UHFFFAOYSA-N 370.409 1.559 0 50 FDAA 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Nc1ncccc1CN1CCC2(CCN(C3CCOCC3)CC2)[C@@H](CO)C1 97785476 XUHANALCQRWPEA-GOSISDBHSA-N 374.529 1.739 0 50 FDAA CCC[C@]1(CO)CCN(C(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)C1 292948915 GZPKPFINZVAKCJ-KRWDZBQOSA-N 354.472 1.576 0 50 FDAA Cc1nc(-c2cccnc2)ncc1C(=O)N1CCC2(CC1)OCCC[C@H]2O 97711800 DQVWKCYGRJAVJT-QGZVFWFLSA-N 368.437 1.993 0 50 FDAA CC[C@@H](NS(=O)(=O)c1ccc(C(=O)NC2CC2)cc1)c1cnn(C)c1 91819786 WIOHEVCGKVXVRO-MRXNPFEDSA-N 362.455 1.742 0 50 FDAA COCC(=O)N1CCC(C(=O)N2CC(Oc3ccccc3OC)C2)CC1 91391071 FRRDIELHWXZYQP-UHFFFAOYSA-N 362.426 1.170 0 50 FDAA Cc1cc2c(N3CCC(NCc4nc(C(N)=O)no4)CC3)ncnc2s1 96141853 BGHYWWHKHZNKFW-UHFFFAOYSA-N 373.442 1.240 0 50 FDAA CNS(=O)(=O)C1CCN(C(=O)c2nsc3ccc(C)cc23)CC1 293759055 XCBCNKFBUJMBCM-UHFFFAOYSA-N 353.469 1.759 0 50 FDAA CCn1cc(S(=O)(=O)N2CCC3(CCC(=O)N(C(C)C)C3)CC2)cn1 91547261 IQZWLACGYCJVCP-UHFFFAOYSA-N 368.503 1.705 0 50 FDAA O=C(CCNC(=O)[C@@H](c1cccnc1)N1CCOCC1)Nc1ccccc1 97594769 OZWKZOGQMLWZRM-LJQANCHMSA-N 368.437 1.600 0 50 FDAA CN1C(=O)C2(CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)CC2)c2ccccc21 91625095 QUTMFHGUDARILU-AWEZNQCLSA-N 370.453 1.314 0 50 FDAA Cc1nc(NC(=O)CN2CCC[C@]3(C2)CN(C)C(=O)O3)sc1C(=O)O 244899461 ZKHKKUUSKFRWKO-OAHLLOKOSA-N 368.415 1.005 0 50 FDAA COc1ccc(C2(C(=O)NCCN3CCNC3=O)CCCC2)cc1OC 244898803 ZBWZLOJVQSDHLB-UHFFFAOYSA-N 361.442 1.657 0 50 FDAA O=C([C@@H]1CCCN1Cc1cnc(N2CCOCC2)s1)N1CCCCC1 244866486 VWZCQZQMDSLAKJ-INIZCTEOSA-N 364.515 1.957 0 50 FDAA Cc1cc(C)n(-c2ccccc2CN2CCCN(S(C)(=O)=O)CC2)n1 244840206 UIORHLMNYKMLNP-UHFFFAOYSA-N 362.499 1.956 0 50 FDAA C[C@@H]1Oc2ccccc2N(CC(=O)NCc2nc(C(=O)O)cs2)C1=O 299752789 VKICTZWBIQIZQV-VIFPVBQESA-N 361.379 1.272 0 50 FDAA Cc1cccn2c(CC(=O)N[C@H]3CCCN(c4ncccn4)C3)cnc12 299798398 TWMUZBUATSOMAP-HNNXBMFYSA-N 350.426 1.760 0 50 FDAA COCCn1cnnc1CN(C)C(=O)Nc1c(-c2ccccc2)cnn1C 299799944 WRIVKVDBFKZZEE-UHFFFAOYSA-N 369.429 1.989 0 50 FDAA Cc1cc2[nH]cc(C(=O)NCCC(=O)Nc3ccccc3C)c(=O)n2n1 828075117 MNWHLOALKOQPQL-UHFFFAOYSA-N 353.382 1.398 0 50 FDAA CSCC[C@H](C(=O)N1CCOCC1)n1c(O)nc2ccccc2c1=O 888088779 RDJWJRXSAHLLEH-CQSZACIVSA-N 363.439 1.255 0 50 FDAA COc1ccc(-n2cnnc2)cc1NC(=O)c1cnc(N(C)C)nc1C 952971617 UBOOAKGEGRYQBZ-UHFFFAOYSA-N 353.386 1.693 0 50 FDAA CS(=O)(=O)NCCNC(=O)c1ccc(CSc2ccccn2)cc1 952963638 LKNNIQWJLUNUMS-UHFFFAOYSA-N 365.480 1.653 0 50 FDAA CC(C)[C@H]1C[C@@H](CC(=O)NS(=O)(=O)c2cnn3c2OCCC3)CCO1 408157268 HZEYVCRDLDNOBX-QWHCGFSZSA-N 371.459 1.312 0 50 FDAA CC(C)c1noc([C@@H](NC(=O)Cn2ccccc2=O)C2CCOCC2)n1 275791578 XCWGXWKNZCERCO-INIZCTEOSA-N 360.414 1.639 0 50 FDAA CN(C)C1(CNC(=O)c2c[nH]nc2-c2cnn(C)c2)Cc2ccccc2C1 275829083 TXSWZJLZGBSZPG-UHFFFAOYSA-N 364.453 1.639 0 50 FDAA CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccncc1N1CCOCC1 170596453 MDSVOIXLBBKBBO-AWEZNQCLSA-N 371.445 1.729 0 50 FDAA O=C(CCCn1cncn1)N1C[C@H](Cc2ccc3ccccc3n2)[C@@H](O)C1 1615735091 LRFWQESTUTVQQJ-LPHOPBHVSA-N 365.437 1.669 0 50 FDAA O=C(Cn1nc2ccccc2n1)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 1506428822 UANFFPQDCUOVGO-IBGZPJMESA-N 359.393 1.724 0 50 FDAA 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MMPIOCNAEHCCKP-CYBMUJFWSA-N 353.426 1.838 0 50 FDAA COc1ccc(-n2ccc(CNC(=O)N3CC[C@@]4(CNC(=O)C4)C3)n2)cc1 366117815 IMDQOYZVKNLOOR-LJQANCHMSA-N 369.425 1.303 0 50 FDAA CC(=O)N[C@H](CC(=O)N1CCO[C@@H](C(=O)O)C1)c1ccc(Cl)cc1 262380232 IIDRMALYKFHDOI-ZIAGYGMSSA-N 354.790 1.219 0 50 FDAA Cc1nc(C(=O)N2CCO[C@H](C(=O)O)C2)nn1-c1ccccc1C(C)C 262462993 YMEZNVLNFBVVPW-HNNXBMFYSA-N 358.398 1.625 0 50 FDAA C[C@H](C(=O)O)N(C)C(=O)[C@H]1CCN(c2ccccc2Br)C1=O 263232007 AZGGCEYRUOKNIV-NXEZZACHSA-N 369.215 1.734 0 50 FDAA C[C@H](N)[C@H]1CCCN(C(=O)C(=O)N[C@@H](Cc2ncc[nH]2)c2ccccc2)C1 1875266181 QTZKVUMEYBIPAT-XIRDDKMYSA-N 369.469 1.396 0 50 FDAA Cc1nc2c(NC[C@@H]3C[C@@H](C)N(C(=O)[C@@H](C)N(C)C)C3)ncnc2s1 1875326723 SRVGBTVYSDSYBU-WZRBSPASSA-N 362.503 1.994 0 50 FDAA Cc1noc(C[C@]2(O)CCCN(C(=O)[C@@H](NC3CC3)c3cccnc3)C2)n1 1875357123 ZHSRHDKKMKHMRQ-PKOBYXMFSA-N 371.441 1.162 0 50 FDAA Cn1nccc1-c1ccc(N2CC[C@@H](C3CC3)[C@@H]2c2nnc(O)n2C)nn1 1875399811 JNNPDFGZMSNQDW-BLLLJJGKSA-N 366.429 1.689 0 50 FDAA C[C@@]1(c2ccc(C(=O)N[C@H]3COC4(CCCCC4)C3)cc2)NC(=O)NC1=O 1875302560 WOMHSLIATYIDEC-BEFAXECRSA-N 371.437 1.963 0 50 FDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)C(C)(C)CN3CCOCC3)n[nH]c21 1875395017 GRMIMHFVNDIBMA-OLZOCXBDSA-N 350.463 1.615 0 50 FDAA O=C(Nc1cnn(CC(F)(F)F)c1C1CC1)N1CC[C@@H](c2nn[nH]n2)C1 1875330067 LBIPJXODTKGSAS-SECBINFHSA-N 370.339 1.857 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1coc(Cn2cccn2)c1 1875400478 AWSNSOZSRRWYIR-KBRIMQKVSA-N 355.398 1.290 0 50 FDAA CNC(=O)C[C@@H]1CN(C(=O)NCc2ccc3c(c2F)CCCC3)C[C@H]1O 1875402778 LEVBAPZRLDLPJJ-GDBMZVCRSA-N 363.433 1.343 0 50 FDAA Cn1cnc(C(=O)N[C@@H]2C[C@H](Cn3ccnc3-c3ccccc3)C[C@H]2O)n1 1875402981 ODEWUGZLPVZTFF-NUEKZKHPSA-N 366.425 1.248 0 50 FDAA CN1CC[C@@H]2CCN(C(=O)NCc3ccc(N4CCCNC4=O)cc3)[C@@H]2C1 895890067 CBAUJNUGTGBOKK-SJLPKXTDSA-N 371.485 1.842 0 50 FDAA Cn1nc(C(F)(F)F)cc1CS(=O)(=O)Cc1nnn(C)c1C(F)F 2325770619 MRIIPWCTVWZKDG-UHFFFAOYSA-N 373.307 1.620 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O)c1nc2ccccc2[nH]1 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FDAA Cc1cc(-c2cn3cc(C(=O)NC[C@@H]4CCOC4)nc3c(=O)n2C)c(C)o1 72422022 PEKZZMJAXUMKIX-ZDUSSCGKSA-N 370.409 1.676 0 50 FDAA Cc1nc(C)n(C[C@H](C)C(=O)N2CCCN(Cc3cccnc3)CC2)n1 77438348 YCJMPDXFCBIFPW-HNNXBMFYSA-N 356.474 1.661 0 50 FDAA COc1cccc(N2CCC[C@@H](NC(=O)c3cc4n(n3)CCO4)C2=O)c1 377973523 XPLGSXKLUIJLHQ-CQSZACIVSA-N 356.382 1.210 0 50 FDAA Cc1nnccc1C(=O)NC[C@@H]1CCCN(C2CC2)[C@H]1c1ccnn1C 284629923 QGRSBDLGXJKTJG-KBXCAEBGSA-N 354.458 1.864 0 50 FDAA COc1ccc(S(N)(=O)=O)cc1C(=O)N1C[C@H]2CC=C(C)C[C@H]2C1 223119229 BPOJKXXBWZBWBE-OLZOCXBDSA-N 350.440 1.771 0 50 FDAA CCCC[C@H]1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)CNC(N)=O 82109742 RARAALSTHHKJTC-AWEZNQCLSA-N 366.849 1.742 0 50 FDAA COc1ccnc(CNC(=O)C2CCN(C(=O)c3ccncc3)CC2)c1 223964007 DLPHJVGWAJLXEX-UHFFFAOYSA-N 354.410 1.654 0 50 FDAA COC(C)(C)CS(=O)(=O)NCc1ccncc1OC[C@H]1CCOC1 289929697 REAHBNLBQJVHKU-ZDUSSCGKSA-N 358.460 1.341 0 50 FDAA Cc1ocnc1C(=O)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 95527583 XWURLMIPRMNDSJ-IBGZPJMESA-N 371.441 1.794 0 50 FDAA COc1cc([C@H](C(=O)O)N2CCCN(C(C)=O)CC2)cc(OC)c1OC 95366960 ZUDJBZXNDKAPEY-MRXNPFEDSA-N 366.414 1.392 0 50 FDAA O=C(c1ccc(=O)[nH]c1)N1C[C@H]2COc3ccccc3C[C@@]2(C(=O)O)C1 95520995 YMZAUXSDARFVDT-IFXJQAMLSA-N 354.362 1.153 0 50 FDAA CN(C)C(=O)CN1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2 95527967 LEAJAWSFDXRLAX-UHFFFAOYSA-N 365.424 1.868 0 50 FDAA Nc1nnc(SCC(=O)NC[C@H]2CCOc3ccccc3C2)s1 95370486 ANJXSSXOCRNMBT-JTQLQIEISA-N 350.469 1.970 0 50 FDAA COCCN1C[C@@H]2CN(C(=O)c3ccc(F)cc3Cl)C[C@]2(C(=O)O)C1 96150991 UYUQBUZNGQLGIQ-PIGZYNQJSA-N 370.808 1.584 0 50 FDAA CN1C(=O)C[C@H](C(=O)O)C12CCN(C(=O)CCc1ccccc1F)CC2 95370786 GUAGUOFGSSBNHG-CQSZACIVSA-N 362.401 1.682 0 50 FDAA Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)s1 91585661 NLOYLTLGWBOIGI-QWHCGFSZSA-N 357.501 1.399 0 50 FDAA Cc1csc(CCCNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)n1 95512493 LDPPQKDVALBMBQ-AWEZNQCLSA-N 358.467 1.944 0 50 FDAA Cc1nccn1Cc1nnc(C2CCN(C(=O)c3cnn(C)c3)CC2)n1C 91736385 HUBCTUCXXLAFEV-UHFFFAOYSA-N 368.445 1.122 0 50 FDAA CCCNC(=O)c1ccc(S(=O)(=O)N[C@H](C)Cn2cccn2)cc1 91462677 NDWYHMCWSFHQBV-CYBMUJFWSA-N 350.444 1.390 0 50 FDAA COC(=O)C[C@@H]1CCN(C(=O)Nc2cccc(NS(C)(=O)=O)c2)C1 95502106 QUWHEZSMLOKKNU-NSHDSACASA-N 355.416 1.475 0 50 FDAA CN(C)Cc1nnc([C@H]2C[C@@H](NC(=O)c3nn(C)c4ccccc34)C2)n1C 243914686 BJJVUOXSKYYDKN-BETUJISGSA-N 367.457 1.439 0 50 FDAA Cn1c(Cn2cccn2)nnc1[C@H]1C[C@@H](NC(=O)Cc2ccccc2O)C1 244633214 FZEOGBNWZTYMKX-GASCZTMLSA-N 366.425 1.370 0 50 FDAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)C1CCN(c2cnccn2)CC1 299745867 SZLJHBJMILMOQA-KRWDZBQOSA-N 366.421 1.731 0 50 FDAA Cn1c(O)c(CCNC(=O)CC2CC(C)(C)NC(C)(C)C2)cnc1=O 244712713 KVFJBSZMISUPGE-UHFFFAOYSA-N 350.463 1.092 0 50 FDAA Cc1cc(N2CCN(Cc3cc(=O)n4c(C)cccc4n3)CC2)nc(N)n1 252502632 USBSFPXSSRBNMT-UHFFFAOYSA-N 365.441 1.006 0 50 FDAA COC(=O)c1cnc(O)c([C@H](CC(N)=O)C2=Cc3ccccc3OC2)c1O 253623767 KKAXNDKDIGKIEU-GFCCVEGCSA-N 370.361 1.714 0 50 FDAA biogenic O=C(c1ccc(C(=O)N2CCC[C@@]3(CCNC3)C2)cc1)N1CCOCC1 299789133 XFSZPIIRYBUFAL-FQEVSTJZSA-N 357.454 1.375 0 50 FDAA Cc1nn(C)c(C)c1CN1CCn2nc(CNc3ncccn3)cc2C1 299802884 XPJKLPNWWXZFQA-UHFFFAOYSA-N 352.446 1.651 0 50 FDAA C[C@H]1Oc2cc(NC(=O)NCc3nnc4n3CCC4)ccc2N(C)C1=O 299768972 KOTAQQIABKTXIB-SNVBAGLBSA-N 356.386 1.290 0 50 FDAA Cc1cccc([C@@H](NC(=O)CN2CCN(c3ncccn3)CC2)C2CC2)n1 299784423 XMSFFHXEOXSJEZ-IBGZPJMESA-N 366.469 1.570 0 50 FDAA COCCn1cnnc1[C@H](C)NC(=O)c1cc(O)nc2cc(F)ccc12 824466136 MKTUTBNFTWUXHH-JTQLQIEISA-N 359.361 1.808 0 50 FDAA CSc1ncc(CNC(=O)N2C[C@@H]3CCC[C@H](C2)C(=O)N3C)n1C 584901540 RTDDFDIDEYLYKQ-NEPJUHHUSA-N 351.476 1.294 0 50 FDAA O=C(CCn1ccc(O)nc1=O)N[C@H]1[C@H](Cc2ccccc2)[C@@H]2OCC[C@H]12 1074600675 ZYIVBSLKAAMXAR-WTLGNFPFSA-N 369.421 1.101 0 50 FDAA C[C@H]1Cc2cc(S(=O)(=O)N3CCO[C@@H](c4cnn(C)c4)C3)ccc2O1 267537383 NWFWKPAAJFLJGK-YVEFUNNKSA-N 363.439 1.506 0 50 FDAA NC(=O)N1CCC[C@H](C(=O)N2CCN(c3ccc(F)cc3F)CC2)C1 870131499 MTIFJPRRPTYITF-LBPRGKRZSA-N 352.385 1.404 0 50 FDAA CC(C)(CC1Cc2ccccc2C1)NC(=O)[C@@H]1CCCN(CC(N)=O)C1 952971347 NXRSPMIYQBAEKI-GOSISDBHSA-N 357.498 1.884 0 50 FDAA CN(CCN1CCOC(C)(C)C1)C(=O)[C@@H]1CCCO[C@H]1c1cn[nH]c1 886078180 PKJOYISLMOYVAE-CVEARBPZSA-N 350.463 1.447 0 50 FDAA Cc1nc(NCCCc2ccc(S(N)(=O)=O)cc2)c2cnn(C)c2n1 1458680097 HTKXQHXMSJBZFS-UHFFFAOYSA-N 360.443 1.364 0 50 FDAA Cc1ccc(OCC(=O)N[C@H]2CCN(Cc3cscn3)C[C@@H]2O)cc1 1565527293 BOIKIPXSXADLFM-IRXDYDNUSA-N 361.467 1.582 0 50 FDAA COC[C@H]1[C@@H](NC(=O)CN2CCN(c3cccc(C)c3)CC2)[C@H]2CCO[C@H]21 1565514313 SETNELLCOLWDBL-YXYSEUPNSA-N 373.497 1.283 0 50 FDAA Cc1cc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)nc2nc(O)nc(O)c12 270020581 VKPUWIKTQNONBL-OASPWFOLSA-N 356.382 1.432 0 50 FDAA CCc1cc(NC[C@@H]2CCCN2c2cc(NC)ncn2)n2ncnc2n1 301224181 ARLHTKDRJUTGBK-ZDUSSCGKSA-N 353.434 1.599 0 50 FDAA COc1ccc(S(=O)(=O)NCCc2nc(C)c(C(=O)O)s2)c(C)c1 275354829 WSQHFTPJQRXNQD-UHFFFAOYSA-N 370.452 1.988 0 50 FDAA NC(=O)c1cnn2c1C[C@@H](CN[C@@H](C(=O)NC1CC1)c1ccccc1)CC2 275620932 RQENCCZXOTYALQ-SCLBCKFNSA-N 367.453 1.154 0 50 FDAA Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CC[S@](=O)C[C@H](C)C1)C2=O 277357240 BRAPRYIZXALLEG-DSGZJRDPSA-N 362.451 1.207 0 50 FDAA CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)CCC2 170596391 GGGXYQWJWNVGRM-CVEARBPZSA-N 372.512 1.314 0 50 FDAA CCOCCOC[C@H](O)CNC(=O)c1ccc(OC(F)(F)F)cc1 170611862 GKAQWTFCWMWKIK-GFCCVEGCSA-N 351.321 1.729 0 50 FDAA C[C@H]1Cc2cc(S(=O)(=O)N[C@H]3CCO[C@@H]3c3cnn(C)c3)ccc2O1 189193011 XNXLRTYJGYKSOB-XNJJOIOASA-N 363.439 1.552 0 50 FDAA Cc1cccc(N2CCN(CC(=O)Nc3nnc4nc(C)ccn34)CC2)c1 1529099619 CQDCOKDZWOUYLF-UHFFFAOYSA-N 365.441 1.502 0 50 FDAA O=C1CO[C@H](C(=O)NCc2ccc3nonc3c2)[C@@H](c2ccccc2)N1 1529112997 AVPLRMQOXZHYOZ-SJORKVTESA-N 352.350 1.095 0 50 FDAA COCC(C)(C)C(=O)N1CCCN(C(=O)CCN2CCCCC2=O)CC1 1772702266 CKWBDAUKSICCNR-UHFFFAOYSA-N 367.490 1.123 0 50 FDAA O=C(O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 168125775 JDRNIXRYTRZGKC-LVQVYYBASA-N 364.829 1.867 0 50 FDAA Cc1cc(S(=O)(=O)N2C[C@@H]3CCOC[C@]3(CO)C2)c(C)cc1Cl 1857669617 SDZPVOCBKLICDX-XJKSGUPXSA-N 359.875 1.976 0 50 FDAA CCNS(=O)(=O)c1ccc(-n2ccnc2-c2cnn3cccnc23)cc1 1857683546 IYQRSINSVNPFLK-UHFFFAOYSA-N 368.422 1.880 0 50 FDAA COc1ccc(F)cc1C(=O)N1CC[C@H]2[C@@H]1CC(=O)N2CCc1cnc[nH]1 1857705033 PETFRAKSKKIBGS-HOTGVXAUSA-N 372.400 1.616 0 50 FDAA CN=c1ncc(C(=O)N2CCc3c(-c4ccccc4)nn(C)c3CC2)c[nH]1 1857707991 DISCHKCDBQMOMG-UHFFFAOYSA-N 362.437 1.582 0 50 FDAA Cc1cc(C)c(C(=O)N2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)c(O)n1 1857716828 GFJDBJJLHCZYPI-KSMMKXTCSA-N 359.426 1.602 0 50 FDAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3ccnc4ccccc34)C[C@@H]12 1857728541 GLCSMNRWEVNHQG-UAGQMJEPSA-N 359.451 1.034 0 50 FDAA Cc1cc(F)cc(CN2C[C@@H]3[C@H](CNS(C)(=O)=O)[C@H]4CC[C@]3(C2)O4)c1 1875244517 MXPFSJVCNTYBJG-BSDSXHPESA-N 368.474 1.663 0 50 FDAA C[C@H](C(=O)N1CCO[C@H](CN(C)CC(=O)O)C1)c1cc2ccccc2o1 328632018 LDAVTVOBHAJOEI-DZGCQCFKSA-N 360.410 1.780 0 50 FDAA O=C(c1cccc(S(=O)(=O)NCc2ncc[nH]2)c1)N1C[C@H]2CCC[C@@H]1C2 247798079 DNONFKDDNWVMTC-DZGCQCFKSA-N 374.466 1.903 0 50 FDAA Cc1nc(CN2CCC[C@@H](NC(=O)c3ccccc3CN(C)C)C2)no1 365958758 CMEURYWHVYVAEO-MRXNPFEDSA-N 357.458 1.834 0 50 FDAA Cn1c(=O)[nH]c2ccc(C(=O)N3C[C@H](c4ccccc4)[C@@H](C(=O)O)C3)cc21 262793524 CACBUGGVXQHDHQ-CABCVRRESA-N 365.389 1.807 0 50 FDAA Cc1c(CCC(=O)N2CC[C@H](c3cc(O)nc(N(C)C)n3)C2)cnn1C 864839194 RGMXTXWFSZDMQM-AWEZNQCLSA-N 358.446 1.239 0 50 FDAA Cc1nc([C@@H]2CCO[C@@H]2CN(C)C(=O)c2nn(C)c3ccccc23)n[nH]1 952886258 KJERFGSJINFJAM-UKRRQHHQSA-N 354.414 1.645 0 50 FDAA Cc1nc(CSCC(=O)N=c2ccn(-c3ncccc3Cl)[nH]2)no1 1875254033 MDSKXUSGTGSAPB-UHFFFAOYSA-N 364.818 1.906 0 50 FDAA O=C(C[C@H]1CNCCS1(=O)=O)N1CCC[C@H](c2cccc(O)c2F)C1 1875292787 SPDGGHCMOHBTDA-STQMWFEESA-N 370.446 1.014 0 50 FDAA O=C(CN1CCC(=O)N2CCOC[C@H]12)Nc1ccc(C(F)(F)F)cc1 1875281476 CWDAJLVERTWFJT-CQSZACIVSA-N 357.332 1.535 0 50 FDAA C=CC(=O)N1CC2(CO[C@H](CNC(=O)[C@H](C)Oc3ccc(C)cc3C)C2)C1 1875389224 GPVYARWUUYLMFM-IRXDYDNUSA-N 372.465 1.990 0 50 FDAA COCCn1nc2c(c1C(=O)NCc1ccc(CO)cc1)C[C@H](C)O[C@@H]2C 1875314476 ATZVQRDDBJLWJI-UONOGXRCSA-N 373.453 1.974 0 50 FDAA 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370.457 1.322 0 50 FDAA O=C(NCc1csc(N2CCCC2)n1)c1cc(N2CCOCC2)no1 1772807513 OIRHDAYIQCUXIC-UHFFFAOYSA-N 363.443 1.498 0 50 FDAA CCN1C[C@H](CN(C)c2nc3nonc3nc2NC2CCCC2)CC1=O 12228194 WZLNHLCUMSGEAK-NSHDSACASA-N 359.434 1.672 0 50 FDAA Cc1cc(CN(C)C(=O)CCCn2nnnc2CN2CCC(C)CC2)n[nH]1 12297403 MYQRBLDUUTUYFW-UHFFFAOYSA-N 374.493 1.375 0 50 FDAA Cc1nnc(SCCCNC(=O)[C@H]2CCC(=O)N(C3CC3)C2)s1 12717933 CNULLKAVFKBCFF-NSHDSACASA-N 354.501 1.846 0 50 FDAA O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2C[C@@H](NCc3cccs3)C[C@@H]12 14743957 JGJJXEKIIAFWQD-JQFCIGGWSA-N 371.462 1.254 0 50 FDAA CCN1CCN(C2=NC(=O)C[C@@H](C(=O)Nc3ccc(C(C)C)cc3)N2)CC1 19938235 TWYIHJKRGPYAMM-KRWDZBQOSA-N 371.485 1.631 0 50 FDAA O=C(Cc1ccsc1)N[C@H]1C[C@H](c2cc(N3CC[C@@H](O)C3)ncn2)C1 223212422 HTVIWYOFKXUUMO-QLFBSQMISA-N 358.467 1.714 0 50 FDAA Cn1ncc2c1CCN(S(C)(=O)=O)[C@H]2C(=O)N1CCCC2(CC1)CC2 1857527008 HFRPJQSMKSKILO-OAHLLOKOSA-N 366.487 1.072 0 50 FDAA CN(C)C(=O)c1ccc(N2CCN(c3nc4ccccc4o3)CC2)nn1 1857677303 VPCKQNGBYXPCHI-UHFFFAOYSA-N 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FDAA Cc1cc(C(=O)NCCNS(=O)(=O)Cc2ccccc2)c2n[nH]cc2c1 726526122 KRPDJYYKRZFWPO-UHFFFAOYSA-N 372.450 1.721 0 50 FDAA CN1CCCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 193130776 ORPDKWRALHOJTM-UHFFFAOYSA-N 350.362 1.758 0 50 FDAA NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)CCCc1nc(-c2cccnc2)no1 1615695134 SCEDWOKVOWZAJS-KBPBESRZSA-N 355.398 1.391 0 50 FDAA CSCC(=O)N1CCC[C@@]2(CO)CN(c3ccc(C)nn3)CC[C@H]12 1616102824 ZOEVNPJKJFGWOX-YOEHRIQHSA-N 350.488 1.328 0 50 FDAA CC(C)C(=O)N1CCC[C@H](Nc2cncc(C(=O)N3CCOCC3)n2)C1 1506420750 JZMUUQWTJXNDNW-AWEZNQCLSA-N 361.446 1.008 0 50 FDAA CC(C)Cc1cc(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)nc(O)n1 1506420744 AJBURUBMZUEQMA-INIZCTEOSA-N 373.409 1.781 0 50 FDAA Cc1nc(CNC(=O)[C@H]2OCC(=O)N(C(C)C)[C@@H]2c2ccccc2)n[nH]1 1529150938 BUMXILLLFOIYIP-SJORKVTESA-N 357.414 1.106 0 50 FDAA O=C(CN1CCC(Nc2cc(C(=O)N3CCCC3)ccn2)CC1)NC1CC1 1704280354 ZNGZTYQEJBCTLT-UHFFFAOYSA-N 371.485 1.473 0 50 FDAA O=C([C@@H]1CCCO1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 11697522 WGMKTCLIRLDSFC-AWEZNQCLSA-N 354.414 1.443 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C[C@@H](C(=O)N1CCCN(C(=O)c2ccc(N)nc2)CC1)N1CCCCC1 1529151272 ALTFYARQNQHOLP-HNNXBMFYSA-N 359.474 1.213 0 50 FDAA COc1ccc([C@@H](C(=O)O)N2CCC3(CCC(=O)N3C)CC2)cc1OC 1529189097 GIRYPWNXURNVRI-KRWDZBQOSA-N 362.426 1.916 0 50 FDAA Cc1ccc(S(=O)(=O)N2CCC3(CC2)C[C@](C)(O)[C@@H](O)CO3)cc1C 1704299045 NIJGSOKLHZLFMP-IRXDYDNUSA-N 369.483 1.359 0 50 FDAA Cc1cccc2ncc(C(=O)N3CCC[C@@]4(CCc5c[nH]nc54)C3)c(=O)n12 1775979693 OBFTWTXBIIHSKZ-HXUWFJFHSA-N 363.421 1.846 0 50 FDAA COc1ccc(CNCC(C)(C)CO)cc1OC[C@H](O)CN(C)C(C)C 11813217 CNNYUUAXWAFNQN-QGZVFWFLSA-N 368.518 1.883 0 50 FDAA CC(C)(Nc1ccccc1)C(=O)N1CCC[C@H](Cn2cc(CN)nn2)C1 19800326 YSPPOIZESOEPJX-HNNXBMFYSA-N 356.474 1.866 0 50 FDAA CN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 19902771 GPZMYILWMOXBCY-MRXNPFEDSA-N 351.472 1.004 0 50 FDAA COc1ccc(N2CCN(C(=O)[C@H]3Cc4ccccc4C(=O)N3)CC2)cn1 1857682760 RNVMGDHMWBSYPK-QGZVFWFLSA-N 366.421 1.094 0 50 FDAA CC(=O)NCCNC(=O)C1CCN(c2nc3ccc(Cl)cc3o2)CC1 1857709479 ZTEHNLBBTKFDBE-UHFFFAOYSA-N 364.833 1.950 0 50 FDAA CO[C@H]1C[C@@H](C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)CC[C@@H]1N 1857711489 CKQSMNBWVHZSKW-ZQIUZPCESA-N 372.469 1.554 0 50 FDAA CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857737525 RAASGIMHSOLDDV-GNCDUGFZSA-N 365.861 1.495 0 50 FDAA CN1CCO[C@H]2CN(C(=O)c3c[nH]nc3-c3ccc(Cl)s3)C[C@@H]21 330304688 KNHOZBXTIOTANB-QWRGUYRKSA-N 352.847 1.947 0 50 FDAA O=C(CCc1cnccn1)N1C[C@H]2c3ccccc3OC[C@@]2(C(=O)O)C1 247377658 IOWNDQUYOMLSCD-KXBFYZLASA-N 353.378 1.499 0 50 FDAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)Cc1ccsc1 247852141 JAGBTXJAIGZKFN-CABCVRRESA-N 356.451 1.844 0 50 FDAA NC(=O)[C@@H]1c2ccccc2CCN1CCNS(=O)(=O)c1ccccc1 369257578 IROKVWBMYFCPCQ-KRWDZBQOSA-N 359.451 1.050 0 50 FDAA COc1cccc(C(=O)N2CCC3(CC2)C[C@](C)(O)[C@@H](O)CO3)c1OC 1704299218 FLIWYXFRYCONQO-YJBOKZPZSA-N 365.426 1.211 0 50 FDAA Cc1ccc(F)c(S(=O)(=O)N2CC[C@H](O)[C@@](CC3CC3)(C(=O)O)C2)c1 1704339752 LPXFVQYQLMYAIO-RDJZCZTQSA-N 371.430 1.761 0 50 FDAA Cc1cc(C)c(N2CC[C@@H](NC(=O)N3C[C@H]4CC[C@H]3CN4)C2=O)c(C)c1 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C[C@H]1OC2(CN)CC1(NS(=O)(=O)c1ccc([C@@H]3CC3(F)F)cc1)C2 2325778371 VVFCMEVBEPCZRV-RVUORUFZSA-N 358.410 1.736 0 50 FDAA O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)C1(O)CCNCC1 2325801152 YGTBHFIOEQUBHW-UHFFFAOYSA-N 361.829 1.603 0 50 FDAA Cc1cc2ccccc2cc1CCNC(=O)CN1CCS(=O)(=O)CC1 2325810828 HMCXEBHJBCHSKT-UHFFFAOYSA-N 360.479 1.537 0 50 FDAA Cn1nccc1[C@@H](NC(=O)C[C@H]1C(=O)Nc2cc(Cl)ccc21)C(=O)O 2325851973 OLMXLUUKWHHNOZ-QMTHXVAHSA-N 362.773 1.441 0 50 FDAA Cc1cnn(-c2ccccc2)c1NC(=O)C(=O)NCc1cc(N)ccn1 2325858918 GPKSNAVHKKKZDX-UHFFFAOYSA-N 350.382 1.413 0 50 FDAA C=CC(=O)N1CCC(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCC)CC1 2325884286 TWPDHVBPFUFUPJ-GOSISDBHSA-N 369.465 1.501 0 50 FDAA O=C1c2ccccc2S(=O)(=O)N1C[C@@H](O)Cn1ccc2ccccc21 938174 OLMUHSFTCCJAEC-AWEZNQCLSA-N 356.403 1.847 0 50 FDAA aggregator Cn1[nH]c(-c2ccc(C(=O)N3CCO[C@H](c4ccccn4)C3)cc2)nc1=O 2356146632 OAXAXTOTGMHBFH-INIZCTEOSA-N 365.393 1.384 0 50 FDAA COC(=O)CNC(=O)N1CCC[C@@]12CCCN(CCc1ccccc1)C2=O 2356166029 UDJJKVSKJJXUCT-HXUWFJFHSA-N 373.453 1.569 0 50 FDAA CCOC(=O)N1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2)CC1 3452362 DZFDODJBHOUNFD-UHFFFAOYSA-N 353.806 1.371 0 50 FDAA COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1C 8714857 FJYHNXRRUKPZCN-UHFFFAOYSA-N 364.423 1.743 0 50 FDAA CN[C@@H]1CCCN(C(=O)c2nnn(-c3cccc4cccnc34)c2C)C1 133375066 HBQPDMURGYPKPC-OAHLLOKOSA-N 350.426 1.948 0 50 FDAA CCCCNCc1ccc(OC)c(OC[C@@H](O)CN2CCN(C)CC2)c1 20453688 FSIPFOCGOUUCPW-SFHVURJKSA-N 365.518 1.572 0 50 FDAA O=C(C1CCN(S(=O)(=O)Cc2ccccc2F)CC1)N1CCOCC1 24612597 RQXNPZKDYSCGCH-UHFFFAOYSA-N 370.446 1.226 0 50 FDAA O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2 100791870 AVDKMVVTFWHMCC-WSMBLCCSSA-N 353.422 1.846 0 50 FDAA biogenic CN1CCN(C2CCN(c3ccccc3)CC2)C[C@@]12CCNC(=O)CC2 107677834 RQCMIOFKYXDMGQ-OAQYLSRUSA-N 356.514 1.942 0 50 FDAA Cc1ccccc1N1CCN(c2ncccc2CNC(=O)C2(N)CC2)CC1 67908787 AJDFVTQCFNFOPV-UHFFFAOYSA-N 365.481 1.824 0 50 FDAA CC(=O)c1[nH]c(C)c(C(=O)N2CCC3(CC2)C(=O)NCCCN3C)c1C 67726603 LZZCEMSZJYANQO-UHFFFAOYSA-N 360.458 1.261 0 50 FDAA CN(CCc1ccccn1)c1ncccc1CNC(=O)c1ccc(=O)[nH]c1 67822149 IDMCDSCDUZUKEF-UHFFFAOYSA-N 363.421 1.774 0 50 FDAA C[C@H](C(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cn1)C1CCOCC1 119095827 LACBIMUHSBSDKS-VIFPVBQESA-N 366.361 1.968 0 50 FDAA COc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)CCN)CC1 67770547 HXUDEOUVPQRUOX-UHFFFAOYSA-N 371.441 1.656 0 50 FDAA CC[C@@H](C(=O)N1CCOCC1)N(c1ccc(OC)cc1)S(C)(=O)=O 65364251 ATPABJHBISABIH-HNNXBMFYSA-N 356.444 1.099 0 50 FDAA CCn1c([C@H]2CCCN(C(=O)CCc3n[nH]c(C)c3C)C2)nn(C)c1=O 67967604 HSHXQLMSRFQSKI-AWEZNQCLSA-N 360.462 1.280 0 50 FDAA COc1cc(C)c(S(=O)(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cc1OC 252511992 LDOFWIFBSXOXNO-KBPBESRZSA-N 372.487 1.088 0 50 FDAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(N2CCOCC2)c2nonc12 4124130 NGWDMMNGTUXLAO-RYUDHWBXSA-N 374.397 1.889 0 50 FDAA Cc1ccc(C2CCN(c3nc4c(c(O)nc(=O)n4C)n3C)CC2)cn1 329456293 NGRMTDAOIZYJHM-UHFFFAOYSA-N 354.414 1.460 0 50 FDAA Cn1ncnc1CCNc1nc(-c2cccnc2)nc2c1CCNCC2 72430415 UVKIDNOEWGFDFP-UHFFFAOYSA-N 350.430 1.010 0 50 FDAA Cc1nc(C[C@H]2CCCN(C(=O)[C@H]3COCCN3CC(F)F)C2)no1 329470912 ZEKDNDNKYOMTQY-CHWSQXEVSA-N 358.389 1.125 0 50 FDAA Cc1ncc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cn1 71524065 XBMYLTDLKHKTDP-OAHLLOKOSA-N 371.485 1.380 0 50 FDAA CN1CC2(CCNCC2)C[C@@H]1C(=O)NC1CCN(Cc2cccnc2)CC1 72411630 PCPFGMDDQNSPFK-LJQANCHMSA-N 371.529 1.236 0 50 FDAA O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1ccnc3ccccc13)CCN2CC1CC1 72476695 DKODHCXMPIAARS-UXHICEINSA-N 371.506 1.928 0 50 FDAA CN(C)c1ncccc1O[C@@H]1CCN(CC2CCS(=O)(=O)CC2)C1 253427316 DZMJWNKFGPKGPS-OAHLLOKOSA-N 353.488 1.426 0 50 FDAA COc1cc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)on1 328628218 GZNOXIZLAUVHJB-AAEUAGOBSA-N 351.382 1.101 0 50 FDAA Cc1c(NC(=O)CCc2cc3n(n2)CCNC3)cccc1-c1nncn1C 72426499 YJBJARIPCQATTL-UHFFFAOYSA-N 365.441 1.662 0 50 FDAA COc1cccc(C(=O)N2CCN(C(=O)[C@H](O)CCSC)CC2)c1 72480005 VEUOXANUBYPAJY-OAHLLOKOSA-N 352.456 1.094 0 50 FDAA NS(=O)(=O)c1cc(C(=O)N[C@H]2COc3ccc(F)cc3C2)cs1 366500556 LXCTWSMQKFDCHC-LLVKDONJSA-N 356.400 1.268 0 50 FDAA O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1nc3ccccc3[nH]1)CCN2CC1CC1 72476386 ULUIDXBIPZPTJH-SJORKVTESA-N 360.483 1.256 0 50 FDAA Cc1cc(-c2nn(C)c(Cl)c2CN2CCOC[C@@H]2CC(=O)O)no1 72166448 BRBMTBVNRUYTKZ-JTQLQIEISA-N 354.794 1.712 0 50 FDAA COc1ccc(-c2nc3c([nH]2)CCN(c2nc(N(C)C)ns2)C3)cn1 219540027 IHTKTBATZRFSHS-UHFFFAOYSA-N 357.443 1.961 0 50 FDAA CNc1ccnc(N2CCC(c3nnc(CN4CCCC4)n3C)CC2)n1 77287709 PKJQCWIEDOOEIE-UHFFFAOYSA-N 356.478 1.627 0 50 FDAA CC(C)(C)OC(=O)NC1CCN(C(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@H]3[C@H]64)CC1 241776898 RTJMNYWVDSCPKE-VEZDWXOGSA-N 372.465 1.829 0 50 FDAA Cc1nc(C)c(CC(=O)N2CCCC[C@H]2CCN2CCOCC2)c(=O)[nH]1 77452077 DMSPNFZRJIQUHX-INIZCTEOSA-N 362.474 1.033 0 50 FDAA O=C(CSc1ccccc1)N1CCOC[C@](O)(CN2CCCC2)C1 77407214 WOIGGLYTOPYMSA-SFHVURJKSA-N 350.484 1.464 0 50 FDAA CCCCCC(=O)N1CCN(Cc2cccnc2)[C@@H]2CS(=O)(=O)C[C@@H]21 77540237 KQXLLGXJFJRQRX-SJORKVTESA-N 365.499 1.472 0 50 FDAA O=C(c1cnc2ccccn2c1=O)N1CCCC[C@@H]1CN1CCOCC1 77437081 XTKWHAPOPIPNKT-OAHLLOKOSA-N 356.426 1.021 0 50 FDAA Cc1cc(C(=O)NC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)ncc1C(N)=O 451193974 YOIYSQWUGXKZAH-HNAYVOBHSA-N 357.385 1.524 0 50 FDAA Cn1cc(CCNC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cn1 46994060 LJQGOMUHVKZFGZ-UHFFFAOYSA-N 371.441 1.219 0 50 FDAA Nc1nc(NC2CCN(Cc3ccccn3)CC2)cc(C2CC(O)C2)n1 222599024 FUQLJRAVKDDRBQ-UHFFFAOYSA-N 354.458 1.769 0 50 FDAA O[C@@H]1CN(CCc2ccccc2)CC[C@H]1N1CCN(c2ccccn2)CC1 19218883 QFHJJJBKNPDJQB-NHCUHLMSSA-N 366.509 1.882 0 50 FDAA Cc1noc(-c2ccc(N3CCC[C@@]4(CCC(=O)N(CCO)C4)C3)nc2)n1 82121414 NYSJBXVQDJICDR-LJQANCHMSA-N 371.441 1.641 0 50 FDAA O=C(c1cccc(OC2CCN([C@H]3CCCNC3)CC2)c1)N1CCOCC1 95496954 SEMMXFLQKYVUJD-SFHVURJKSA-N 373.497 1.754 0 50 FDAA CCn1nccc1C(=O)N1C[C@@H]2c3ccc(OC)cc3OC[C@]2(C(=O)O)C1 95363805 QTWIEKVYHAEWMK-AUUYWEPGSA-N 371.393 1.615 0 50 FDAA COCCc1nc(CSc2nncn2C)n(-c2ccc3c(c2)OCO3)n1 95505746 IXFXJAZFEHHZST-UHFFFAOYSA-N 374.426 1.606 0 50 FDAA O=C1C[C@H](C(=O)N2CCC3(CCC(=O)N(Cc4ccco4)C3)CC2)CN1 91452031 QVQMOGWLKARMEM-AWEZNQCLSA-N 359.426 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372.450 1.363 0 50 FDAA CN1CCN(C[C@H](O)COc2ccc(CNCC(F)(F)F)cc2)CC1 19226753 BZYKKULFTTXTGC-HNNXBMFYSA-N 361.408 1.326 0 50 FDAA Cc1cc(C)n(-c2ccc(NCCNS(=O)(=O)c3ccccc3)nn2)n1 19924112 PXIXJYNHXIQDCJ-UHFFFAOYSA-N 372.454 1.670 0 50 FDAA COC(=O)C1=CN(CC(=O)Nc2ccccc2Cl)S(=O)(=O)N=C1C 169771845 LKVVZKGGWBAXBD-UHFFFAOYSA-N 371.802 1.357 0 50 FDAA O=C(Cc1cc2c(cc1Cl)OCCO2)N1C[C@@H]2CCOC[C@]2(CO)C1 1857669464 JACZWNVVGHZVKZ-SCLBCKFNSA-N 367.829 1.511 0 50 FDAA CC1(C)C(C(=O)NC[C@H]2[C@H]3CN(CCC(=O)O)C[C@]34CC[C@H]2O4)C1(C)C 1857730981 GTYQMXMKUMZJFP-DIMHRPKISA-N 364.486 1.739 0 50 FDAA Cc1nnc(N2C[C@H](C(=O)NCCCc3c(C)noc3C)CC2=O)s1 1857738954 GIPVECSHUPEQRS-GFCCVEGCSA-N 363.443 1.553 0 50 FDAA Cc1[nH]nc(O)c1CC(=O)N1CCc2nn(C)c(-c3ccccc3)c2CC1 1857741177 HCHJMKTWMKGZDE-UHFFFAOYSA-N 365.437 1.994 0 50 FDAA C[C@H](C(=O)N1CCCC[C@@H]1C(N)=O)N1CCN(c2ccc(F)cc2)CC1 111548513 DXLUMNQOHHNSOU-RHSMWYFYSA-N 362.449 1.203 0 50 FDAA COc1ccc(S(=O)(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)cc1F 328636556 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CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(C)CC(C)C 72163251 ZESLJMPONMVAER-KRWDZBQOSA-N 361.486 1.890 0 50 FDAA Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1ccnn1C(C)C 172980275 CFZVNAGZAYPQMI-LLVKDONJSA-N 368.463 1.120 0 50 FDAA Cc1cccnc1CN1CCN(C(=O)[C@@H]2CCCCN2C(=O)C2CC2)CC1 72462969 FXRKGKSLGLXGBN-IBGZPJMESA-N 370.497 1.825 0 50 FDAA CCc1nc(NCCn2[nH]c(=O)c3ccccc3c2=O)c2cnn(C)c2n1 72145887 XCQCKVODQDUDPB-UHFFFAOYSA-N 365.397 1.041 0 50 FDAA O=C(c1ccc2c(c1)CCCO2)N1CCC(C(=O)O)(n2ccnc2)CC1 72453708 HWJPZBAPHFEVNP-UHFFFAOYSA-N 355.394 1.924 0 50 FDAA O=C(O)C[C@H](NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccccc1 237964168 YZHUDCSATOQXQV-NEPJUHHUSA-N 358.316 1.729 0 50 FDAA NC[C@@H]1CCCN1C(=O)CN1C(=O)COc2cc(Br)ccc21 237946443 PEAMWNXMTOJDOW-NSHDSACASA-N 368.231 1.124 0 50 FDAA COC(=O)NCC(=O)NCc1cc2n(n1)CCCN(C1CCCCC1)C2 82097399 DFHKONUPRFUGDU-UHFFFAOYSA-N 363.462 1.394 0 50 FDAA CC(C)c1nnsc1CN1CCCn2nc([C@@H](O)CN(C)C)cc2C1 223021955 WSGJOMIESYCPIM-HNNXBMFYSA-N 364.519 1.859 0 50 FDAA COc1ccc([C@H](NS(=O)(=O)c2c(C)n[nH]c2C)C2CC(O)C2)cn1 222735470 QPUXQQFGYYWNBY-PIMMBPRGSA-N 366.443 1.221 0 50 FDAA O=C(NCCc1csc(-c2ncccn2)n1)c1cc2c([nH]c1=O)CCC2 223060146 GAHBWFSNJMUFQW-UHFFFAOYSA-N 367.434 1.750 0 50 FDAA COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](C(=O)O)N(C(C)=O)C3)cc1C 82136698 IMMVNDPCZMKYHL-INIZCTEOSA-N 374.437 1.931 0 50 FDAA O=C(c1noc2c1CCCC2)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 426700112 WODMTMXGOGXJAZ-WGDDSDEBSA-N 362.426 1.182 0 50 FDAA O=C(NC1CCN(c2cnccn2)CC1)C1CCN(C2CCOCC2)CC1 426652842 GVEGCTJNQPQAEV-UHFFFAOYSA-N 373.501 1.453 0 50 FDAA CCCn1ncc(CN2CCC3(CC2)C[C@@H](C(=O)O)N(C(C)=O)C3)c1C 82091890 UXNFRFDAEYWGNB-KRWDZBQOSA-N 362.474 1.889 0 50 FDAA O=C(CCc1nnc2ccc(Cl)nn12)N[C@@H](C(=O)O)c1ccccc1 223215614 SOKPWQFXDZPGAV-OAHLLOKOSA-N 359.773 1.652 0 50 FDAA CN1C(=O)[C@](Cc2ccccc2)(Cc2ncnn2CCO)c2ccccc21 91657251 JVPMVBLTJWAJCT-OAQYLSRUSA-N 362.433 1.970 0 50 FDAA Cc1cccnc1N1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1 91782435 SZTLQOQMKCWETJ-UHFFFAOYSA-N 363.425 1.257 0 50 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O=C(O)[C@@H]1CN(C(=O)CCN2C(=O)COc3ccccc32)C[C@H]1C1CC1 91621257 ZMMQXMONPFJVLG-UONOGXRCSA-N 358.394 1.371 0 50 FDAA COc1ccc([C@H](C(=O)O)N2CCN(c3ccncc3)CC2)c(OC)n1 95371115 JCKYIYIHZQZPOW-MRXNPFEDSA-N 358.398 1.442 0 50 FDAA O=C(NCCn1nc(-c2ccccc2)ccc1=O)c1cn2cccnc2n1 97499447 VCKVMCCGQWKTNF-UHFFFAOYSA-N 360.377 1.383 0 50 FDAA Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N[C@@H]3CCOC3)cc2)cn1 91602375 ZDFNMCHFCHNFOL-OAHLLOKOSA-N 361.423 1.710 0 50 FDAA Cc1cccc(NC(=O)CC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 242463710 BRNHCOITSPEQTQ-UHFFFAOYSA-N 355.394 1.901 0 50 FDAA CCCOc1ccc(C(=O)N2CCN(C(C)(C)C(N)=O)CC2)c(OC)c1 295376861 SAQCQBSPNNSDGQ-UHFFFAOYSA-N 363.458 1.506 0 50 FDAA CCc1ocnc1C(=O)N[C@H]1C[C@@H](c2cc(N3CC[C@@H](O)C3)ncn2)C1 244816877 SQENULGNYZCEKX-FRRDWIJNSA-N 357.414 1.274 0 50 FDAA O=C(c1ccc2ncccc2c1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 299572447 ZYAPORYZVWGQCM-INIZCTEOSA-N 359.451 1.180 0 50 FDAA Cc1csc([C@@H](C)CNC(=O)CN2CCN(c3ncccn3)CC2)n1 299766552 JQRPJDSMJJMCAY-ZDUSSCGKSA-N 360.487 1.283 0 50 FDAA 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1.505 0 50 FDAA O=C(NCc1ccco1)Nc1ccc(OCC(=O)N2CCOCC2)cc1 96149278 JVBRTXNDDOWOQV-UHFFFAOYSA-N 359.382 1.839 0 50 FDAA O=C(O)CN1CCC(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 95503008 RIQGXEGFSDAKMH-IBGZPJMESA-N 373.497 1.954 0 50 FDAA COc1cc(SC)c(OC)cc1CN1CCN([C@@H]2CCNC2)CC1 97394236 IXMHIHJKPZWEKZ-OAHLLOKOSA-N 351.516 1.905 0 50 FDAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1nnc(-c3ccccc3)o1)C2 91486829 TYGMPHYTGLNUAW-JKSUJKDBSA-N 356.426 1.806 0 50 FDAA Cc1nc(N2CCCCC2)ncc1C(=O)N1CC[C@@]2(CCCNC2=O)C1 91381085 OLMQDRHMEAUJBP-IBGZPJMESA-N 357.458 1.518 0 50 FDAA CN(CCc1noc(C2CC2)n1)C(=O)c1cc(S(N)(=O)=O)ccc1F 91624945 IQRYURWGIUMRJD-UHFFFAOYSA-N 368.390 1.048 0 50 FDAA O=C([C@@H]1CCCN1C(=O)c1c[nH]c2c(F)cccc2c1=O)N1CCOCC1 97655586 LBXNTXUNICOQKP-HNNXBMFYSA-N 373.384 1.131 0 50 FDAA Cc1ccccc1[C@@H]1CN(C(=O)c2[nH]nc3c2CN(C)CC3)C[C@H]1C(=O)O 91737680 IGVGYHCGPXQQGM-LSDHHAIUSA-N 368.437 1.646 0 50 FDAA COc1cc(OC)c(CN2CCN(C3CCOCC3)CC2)c(C(=O)O)c1 97743668 FGJBLUJBNJTWNT-UHFFFAOYSA-N 364.442 1.699 0 50 FDAA 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357.454 1.623 0 50 FDAA O=C1C[C@H](CNc2nc3nonc3nc2N2CCCCC2)CN1C1CC1 12056786 WNHDMDGNPIPIEN-LLVKDONJSA-N 357.418 1.426 0 50 FDAA CCN1CCN(CC(=O)N[C@@H]2CCCN(CC3CCCCC3)C2)CC1 19761947 NALAROGCCHIAAL-LJQANCHMSA-N 350.551 1.785 0 50 FDAA CCn1nccc1C(=O)N1CCC2(CC1)NC(=O)N(c1ccccc1)N2 169764136 IGRKNSJYJLABCG-UHFFFAOYSA-N 354.414 1.570 0 50 FDAA CO[C@@H]1CC[C@H](C(=O)NC2CCN(CCc3ccccc3)CC2)C[C@H]1N 1857722978 SCJNMRXANRYLAJ-DFQSSKMNSA-N 359.514 1.952 0 50 FDAA CO[C@H]1C[C@@H](C(=O)N(C)Cc2nc(O)c3sccc3n2)CC[C@@H]1N 1857729231 AVLVVISSOPPXPL-NHCYSSNCSA-N 350.444 1.498 0 50 FDAA O=C(CCc1cn[nH]c1)N1CC[C@@]23O[C@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857733884 DDLMNNAJTCDTIU-QKLQHJQFSA-N 366.421 1.643 0 50 FDAA CCC[C@]1(CO)CCN(C(=O)c2cc(F)ccc2OCCN)C[C@@H]1O 1875244184 CIUFUJBYGIQSKT-FUHWJXTLSA-N 354.422 1.149 0 50 FDAA CCC[C@H]1COC[C@H]2CN(Cc3cc(=O)n4c(C)cccc4n3)CCN12 1875246341 MLRFDTAMFDVSFY-ZWKOTPCHSA-N 356.470 1.688 0 50 FDAA O=c1c(NC[C@H]2CCc3nc(C(F)(F)F)cn3C2)nccn1C1CC1 328616671 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CCn1nc(C)c(CCNC(=O)c2coc(CN3CCOCC3)c2)c1C 95392787 HDYWHHMBQGTAIE-UHFFFAOYSA-N 360.458 1.918 0 50 FDAA NC(=O)CN1CC2(CCC1=O)CCN(Cc1ccc(C(=O)O)cc1)CC2 91713164 XXTNWXLPLBJDGO-UHFFFAOYSA-N 359.426 1.075 0 50 FDAA CCn1nc(CC(N)=O)nc1-c1[nH]c2ccccc2c1C[C@@H](C)NC(C)=O 96130763 GBWGEDXNWQTSHQ-LLVKDONJSA-N 368.441 1.541 0 50 FDAA C[C@H]1CCCCN1Cc1cccc(NC(=O)NCCc2n[nH]c(=O)[nH]2)c1 96139267 BSPNDMPERALAOD-ZDUSSCGKSA-N 358.446 1.837 0 50 FDAA C[C@H](CCc1nc(Cc2cccs2)nn1CC(=O)O)N1CCOCC1 97301292 ZWDGIHDNJHKXTC-CYBMUJFWSA-N 364.471 1.668 0 50 FDAA Cc1[nH]c2c(F)cccc2c1CC(=O)NCCS(=O)(=O)N1CCCC1 91846606 SASPHCKIFJVJSI-UHFFFAOYSA-N 367.446 1.700 0 50 FDAA COc1ccccc1N1CCC(NC(=O)NCC(=O)NCC2CC2)CC1 182014953 WWDROHGWHZISGH-UHFFFAOYSA-N 360.458 1.489 0 50 FDAA C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](O)CC[C@]34CO)[C@@]1(O)CC[C@H]2C(=O)O 257350276 WBGZYOIFCRLSRY-JVMIEYSASA-N 368.470 1.293 0 50 FDAA COC(=O)c1cn(C2CCN(C(=O)c3ccco3)CC2)cc2c(=O)[nH]nc1-2 263588337 RZUIHFPGLCVZDN-UHFFFAOYSA-N 370.365 1.533 0 50 FDAA CCN(C(=O)c1cccc(-c2ccc3nc(C)nn3c2)c1)[C@H]1COC[C@@H]1O 534655196 LZNFOGZGJATAJK-ROUUACIJSA-N 366.421 1.927 0 50 FDAA O=C([C@@H]1CCS(=O)(=O)C1)N1CCCN(C2Cc3ccccc3C2)CC1 299763569 OTUQHYQXGDVTMC-QGZVFWFLSA-N 362.495 1.123 0 50 FDAA COc1ccc(C2(C(=O)N3C[C@H](O)C[C@H]3C(=O)O)CCCC2)cc1OC 299761157 SNBSZXYMYURIGK-KGLIPLIRSA-N 363.410 1.562 0 50 FDAA Cc1cc(C)n2nc(CC(=O)N3CC[C@H](Oc4ccccc4)C3)nc2n1 299756416 HZRLZQBSWRXTIR-INIZCTEOSA-N 351.410 1.964 0 50 FDAA COc1ccc(C(C)C)cc1S(=O)(=O)NCCN1CCCC[C@@H]1CO 670454167 SRUXOODYMNVGKG-MRXNPFEDSA-N 370.515 1.944 0 50 FDAA CC(C)n1cnnc1[C@@H](C)NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 670436536 CDZKDTLMOHFKTA-SNVBAGLBSA-N 365.415 1.229 0 50 FDAA O=C(O)[C@@]1(N2CCN(c3nc4ccccc4cc3CO)CC2)CCOC1 1328720828 FVHDNCQXKWQMDZ-LJQANCHMSA-N 357.410 1.093 0 50 FDAA Cc1ccc(F)cc1S(=O)(=O)N1CCN(CC(C)C)[C@@H](CCO)C1 952987995 MVVARVUZWBOSJL-INIZCTEOSA-N 358.479 1.847 0 50 FDAA Cc1csc2ncnc(N3CCN(S(=O)(=O)NC(C)C)CC3)c12 408468762 OBYUXAJEOIZHEX-UHFFFAOYSA-N 355.489 1.365 0 50 FDAA CCCN1CC2(CCN(Cc3nc(CCOC)no3)CC2)C[C@@H]1C(=O)O 72124210 OBBAMGKHJAIXBO-CQSZACIVSA-N 366.462 1.410 0 50 FDAA COC(=O)[C@](C)(O)CN1CCO[C@@H](c2cccc(Br)c2)C1 221784608 XEYBVDKSXOUEBL-UKRRQHHQSA-N 358.232 1.746 0 50 FDAA COCc1cccc(C(=O)N2C[C@@H]3CC[C@H]2CN(c2cnccn2)C3)n1 1565529510 WUDZRJTUUVFRJZ-ZBFHGGJFSA-N 353.426 1.759 0 50 FDAA Cn1cc([C@]2(C)CN(C(=O)NCCc3ccc4c(c3)CCO4)CCO2)cn1 268677804 WENOAHRYTWKAKJ-FQEVSTJZSA-N 370.453 1.855 0 50 FDAA COCCOc1ccccc1C(=O)NC1CCN(c2nccn2C)CC1 170614462 LZBKSZYRYGJTCE-UHFFFAOYSA-N 358.442 1.844 0 50 FDAA O=C1CO[C@H](C(=O)NCc2nc3c(s2)CCCC3)[C@@H](c2cccnc2)N1 1529167061 DURJMQFIAPTKPF-SJORKVTESA-N 372.450 1.289 0 50 FDAA Cc1nc(CNC(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)cs1 1529169056 SDIYNKUBSNJRBD-SJORKVTESA-N 372.450 1.594 0 50 FDAA COc1cc(F)c(C(=O)N2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)c(F)c1 1704347798 GWNDRXVKPUMXFE-MEBBXXQBSA-N 351.353 1.681 0 50 FDAA Cc1cc(C[C@@H]2CN(C(=O)Cn3c(C)nc4ccccc43)C[C@H]2O)on1 1704345202 XDWNPTSUKFRKEN-RDTXWAMCSA-N 354.410 1.703 0 50 FDAA Nc1nc(CN2C[C@@H]3CNC[C@]3(CO)C2)nc2sc3c(c12)CCCC3 1772700399 DBCYZNMRJKFBBF-BBATYDOGSA-N 359.499 1.166 0 50 FDAA CC[C@@]12C[C@H]1CN(S(=O)(=O)c1ccc3c(c1)N(C(C)=O)CCO3)C2 1772819904 XDGJPWLFIJSTDL-GUYCJALGSA-N 350.440 1.853 0 50 FDAA CN1CCN(c2ccc(NC(=O)c3ccc(-n4cnnn4)cc3)cc2)CC1 11616060 FJXCPANYEPEGEX-UHFFFAOYSA-N 363.425 1.666 0 50 FDAA CN(C)S(=O)(=O)N1CC[C@@H](C2CCN(Cc3cccnc3)CC2)C1 11665174 DHILNLDVRVQORQ-QGZVFWFLSA-N 352.504 1.422 0 50 FDAA COc1ccccc1CN1CCc2nnc(CCNC(=O)C(C)C)n2CC1 12206846 FFGHYCVBSYFIKM-UHFFFAOYSA-N 371.485 1.660 0 50 FDAA CC(C)COC[C@@H]1C[C@@]2(C[C@](C)(c3csc(N)n3)OC2=O)C(=O)O1 12382333 RQPYOCLYNKQFLM-AMKSKSKJSA-N 354.428 1.862 0 50 FDAA biogenic O=C(Cc1ccncc1)N[C@H]1C[C@@H](c2cc(N3CC[C@H](O)C3)ncn2)C1 219296783 LCZWFUKUDMIUSZ-JYJNAYRXSA-N 353.426 1.048 0 50 FDAA COc1ncc(C(=O)NC[C@H]2CCO[C@@H]2c2cnn(C)c2)cc1Cl 1857531758 JPKIZWCETBIVBX-YGRLFVJLSA-N 350.806 1.985 0 50 FDAA O=C(N[C@H]1C[C@H]2COc3ccccc3S(=O)(=O)N2C1)c1ccncc1 1857675721 HTZHWGPRSDSNMA-KBPBESRZSA-N 359.407 1.036 0 50 FDAA CC(C)(N)C(=O)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857700205 CREQPNYWVZHGTF-FQEVSTJZSA-N 367.453 1.788 0 50 FDAA Cc1nc(CCNC(=O)[C@@H]2CC(=O)N(c3nccs3)C2)nc2c1CCC2 1857706635 XVBXZINXCAJQBU-GFCCVEGCSA-N 371.466 1.442 0 50 FDAA COC(=O)[C@H]1C[C@H]2CN(Cc3[nH]cnc3C)CC(=O)N2[C@H]1c1ccccc1 1857708452 VBPNKGZTXKTCGR-BXWFABGCSA-N 368.437 1.665 0 50 FDAA CN(C)C[C@@H]1OCCN(C(=O)c2ncc(F)cc2F)[C@H]1c1cnn(C)c1 1857712153 FHKLQMMKSMKYFT-HOCLYGCPSA-N 365.384 1.237 0 50 FDAA CCOc1ncccc1C(=O)N1C[C@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857712516 PWSZANWCASVYAC-BMQTXXJKSA-N 368.433 1.689 0 50 FDAA O=C(NCCS(=O)(=O)c1ccc(F)cc1)[C@@H]1CCn2nccc2C1 1857722197 FEATYJBWHIAEGL-GFCCVEGCSA-N 351.403 1.175 0 50 FDAA O=C(NCCc1csc(-c2cccnc2)n1)[C@H]1CCc2ncnn2C1 1857737784 CNAZSDCUHJOONG-ZDUSSCGKSA-N 354.439 1.718 0 50 FDAA CCOC(=O)c1cnc2ccccc2c1N1C[C@@H]2OCCC(=O)N(C)[C@H]2C1 1857740313 NCNOKQWFPIDRMP-IRXDYDNUSA-N 369.421 1.847 0 50 FDAA COc1cccc2[nH]c(C(=O)N3CCc4nc(C(N)=O)cn4CC3)cc12 1875250064 VJZDNBATEJYNIQ-UHFFFAOYSA-N 353.382 1.170 0 50 FDAA CCC[C@@H]1C[C@H](C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)CCO1 329877631 JOGNSRUCEHLISQ-OWCLPIDISA-N 358.504 1.608 0 50 FDAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cccc(-n3nnnc3C)c1)C2 248010549 ISMQSZVVTLYPOB-WBVHZDCISA-N 368.441 1.444 0 50 FDAA CN1C(=O)C[C@H](C(=O)N[C@H]2C[C@@H](C(=O)O)C2)[C@@H]1c1ccc(Cl)c(F)c1 263190806 INERJGLIHFZBCA-DDIVZENXSA-N 368.792 1.978 0 50 FDAA CN1C[C@H]2COC[C@@H]1CN(S(=O)(=O)c1ccc(F)c(F)c1F)C2 1704311377 HBRWLRPGWJACAU-ZJUUUORDSA-N 350.362 1.055 0 50 FDAA CCOc1ncc(C(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)cc1Cl 823405559 ARDLXXYBKLBLTP-QWHCGFSZSA-N 352.778 1.433 0 50 FDAA O=C(O)[C@H](CNS(=O)(=O)CCc1ccccc1F)C1CCOCC1 849219294 OXVUUYFUXUTZLR-CQSZACIVSA-N 359.419 1.415 0 50 FDAA Cc1cc(C(=O)N2CC(C)(C)OC3(C2)CN(c2cccc(F)n2)C3)n[nH]1 952893245 HCDGKXLRKCQFAS-UHFFFAOYSA-N 359.405 1.762 0 50 FDAA O=C(N[C@@H]1CCCC12CN(C(=O)CC1OCCO1)C2)[C@@H]1CCCS1 1875345520 AIMYWMSGOHRIFT-QWHCGFSZSA-N 354.472 1.142 0 50 FDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](N[C@@H](COC)C3(C)CC3)C2)n1 1875397638 IKYIGAVQMATHJL-CABCVRRESA-N 361.490 1.436 0 50 FDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)C3CCN(c4cnccn4)CC3)n[nH]c21 1875395222 RTCSDJVEXGAISV-OLZOCXBDSA-N 370.457 1.963 0 50 FDAA CC(C)n1ncnc1CN[C@H]1C[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)C12CCC2 1875408426 WKBJDDMEQJMZEH-CEEVZKBLSA-N 359.474 1.268 0 50 FDAA CC(C)(C(=O)N1C[C@@H]2CN(C(=O)Cc3cc[nH]c3)C[C@@H]2C1)[C@H]1CCCO1 1875407312 XECCMELKSAYDRA-IXDOHACOSA-N 359.470 1.679 0 50 FDAA NC(=O)C[C@@H]1CN(C(=O)c2c(Cl)cccc2OCC2CC2)C[C@H]1O 1875403231 SJSDEMBLWSDGPE-DGCLKSJQSA-N 352.818 1.437 0 50 FDAA Cc1nn(C)c(C)c1C(=O)NC[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 886082057 ZQUZWIWIWIDUPM-DYVFJYSZSA-N 358.446 1.110 0 50 FDAA Cc1cc(NC(=O)NC2(c3nc(C)no3)CCOCC2)c(N(C)C)nn1 888100577 ZLTHERYTBXFNBM-UHFFFAOYSA-N 361.406 1.370 0 50 FDAA O=c1[nH]c(N2CCOCC2)nc2nccc(-c3ccc4c(c3)OCO4)c12 15109405 NSRDPMJJJVXOJA-UHFFFAOYSA-N 352.350 1.550 0 50 FDAA CO[C@H]1C[C@](NC(=O)[C@@H]2CCN(c3ccccc3Cl)C2)(C(=O)O)C1 2325775286 SCNXRVMUEHIUBZ-QFSBIZTOSA-N 352.818 1.915 0 50 FDAA Cc1nc2c([nH]1)[C@@H](C(=O)NCc1cc(=O)n(-c3ccccc3)n1C)CCC2 2325806397 QHKOLMWHCQCMPN-INIZCTEOSA-N 365.437 1.944 0 50 FDAA O=C(O)[C@@H]1CN(C(=O)Cc2cncc(O)c2)C[C@H]1c1cc(F)cc(F)c1 2325808206 FTOWEVDOEPJORP-JKSUJKDBSA-N 362.332 1.935 0 50 FDAA Cc1nccc(-n2ccc(=NC(=O)c3nc4c(s3)CN(C)CC4)[nH]2)n1 2325822114 DYKYWXGCTFFSLC-UHFFFAOYSA-N 355.427 1.089 0 50 FDAA O=C1Nc2ccccc2CC[C@H]1N1CCCN(C(=O)c2cn[nH]c2)CC1 2325867340 SFJAINRQHWNVHM-QGZVFWFLSA-N 353.426 1.511 0 50 FDAA COC1(C(=O)N[C@@H]2CCN(C(=O)[C@@H](C)c3ccccc3)C[C@H](O)C2)CC1 2325871575 QPOFWEHNTLVVAX-USXIJHARSA-N 360.454 1.437 0 50 FDAA CCOC(=O)c1ccc(NS(=O)(=O)c2csc(C(N)=O)c2)cc1 6681506 HSKDLETYWOJNDE-UHFFFAOYSA-N 354.409 1.825 0 50 FDAA CCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(OC)cc2)n(C)c1=O 8654305 CEGMILMJMKOWDN-GFCCVEGCSA-N 369.425 1.713 0 50 FDAA O=C(CNS(=O)(=O)c1cccs1)N1CCC[C@H]1c1ccccn1 56276107 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71746511 YYFAUTRGNYJOQW-NRFANRHFSA-N 365.433 1.396 0 50 FDAA O=C(Nc1cnn(C[C@@H]2CCCO2)c1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 363968209 ORXMZBQPCWIHBW-SRVKXCTJSA-N 360.336 1.458 0 50 FDAA O=C(O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C1 262768965 AZLKOLDQIMMSSC-MRVPVSSYSA-N 353.318 1.912 0 50 FDAA CC(=O)N1CCc2c(nc(-c3cccnc3)nc2NCCCCCN)C1 71759484 ZVKOEJNZPPKUAL-UHFFFAOYSA-N 354.458 1.984 0 50 FDAA CN1N=C(C(=O)Nc2cccc(NC(=O)c3cccnc3)c2)CCC1=O 31966620 JWGAVMRLEIKBDK-UHFFFAOYSA-N 351.366 1.881 0 50 FDAA CCNc1ccnc(N2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C2CC2)C3)n1 72421814 ZGEADBIQXODUIH-AWEZNQCLSA-N 373.457 1.591 0 50 FDAA COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@H]3CC34CCNCC4)C2=O)c1 261910962 GSFHGWRCPWZYOE-SJORKVTESA-N 373.453 1.315 0 50 FDAA CN1CCCN(C(=O)c2ccc(SCCO)cc2)CC12CCNCC2 216000985 KKSYRGLPDSIOPZ-UHFFFAOYSA-N 363.527 1.671 0 50 FDAA CCCN1C(=O)N[C@H](CC(=O)N2CCOc3ccc(Cl)cc3C2)C1=O 216225593 MRYVPMIMSJIXMX-CYBMUJFWSA-N 365.817 1.782 0 50 FDAA CCS(=O)(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2cccs2)C1 72458962 AWVOLSNRVSQIIQ-DZGCQCFKSA-N 356.513 1.953 0 50 FDAA CCOCCn1nc(C)cc1C(=O)NCc1nnnn1-c1ccccc1 219310447 RNDVGAGSLXNHDO-UHFFFAOYSA-N 355.402 1.134 0 50 FDAA CCC(=O)N1CCN(Cc2ccccc2CC)[C@H]2CS(=O)(=O)C[C@H]21 72447727 MRPTVOXCVFOHRB-DLBZAZTESA-N 350.484 1.469 0 50 FDAA CC(=O)N1CCc2c(nc(-c3ccncc3)nc2N[C@H]2CCCN(C)C2)C1 71776277 ZADAVINMXWMRDO-INIZCTEOSA-N 366.469 1.949 0 50 FDAA Cc1nc(N2CCCCC2)ncc1C(=O)N1CCc2nc[nH]c2[C@H]1C(=O)O 72424326 JCCVSBVUNCEMCQ-HNNXBMFYSA-N 370.413 1.323 0 50 FDAA CC(C)[C@@H]1CN(C(=O)COc2ccc(F)cc2)C[C@H]1NS(C)(=O)=O 82157445 FQYLNCOINFSTOC-LSDHHAIUSA-N 358.435 1.237 0 50 FDAA O=C(NCC1CCN(CCO)CC1)NC1CCN(C2CCCCC2)CC1 176347146 VLCRQGOYUYPVMB-UHFFFAOYSA-N 366.550 1.787 0 50 FDAA CCc1cc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(F)c2)on1 20207329 IXSAAZNDELIEJN-QGZVFWFLSA-N 374.416 1.383 0 50 FDAA CC(C)Cc1cc(CN2CCn3nc([C@@H](O)c4ccnn4C)cc3C2)n[nH]1 222440651 CBUVCRQSQQOCRL-LJQANCHMSA-N 369.473 1.636 0 50 FDAA Nc1nnc(SCC(=O)N[C@H]2CCCN(Cc3cccnc3)C2)s1 222440275 BOLLRUQNBZEISK-LBPRGKRZSA-N 364.500 1.388 0 50 FDAA CS(=O)(=O)C[C@@H](O)c1cc2n(n1)CCN(Cc1ccc(Cl)cc1)C2 221411716 QGNMVNFDSYLDGF-MRXNPFEDSA-N 369.874 1.630 0 50 FDAA Cc1nc(CN2C[C@H]3CN(C(=O)C4CCCC4)C[C@@]3(C(=O)O)C2)n(C)c1C 96141155 ODXCUYBMSAWQOF-JXFKEZNVSA-N 374.485 1.572 0 50 FDAA O=C1CCC2(CCN(C(=O)[C@@H]3CCNC3)CC2)CN1CCCn1ccnc1 91644743 NJDASJSZVQXTMY-QGZVFWFLSA-N 373.501 1.114 0 50 FDAA COCC(=O)Nc1ccc(Cl)c(NC(=O)NC[C@@H]2C[C@H](F)CN2)c1 97347591 PRAFNGNZKUFUQX-ONGXEEELSA-N 358.801 1.746 0 50 FDAA CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)[C@@H]1CNC(=O)N1 95524937 RQVCQQQLMQIPGI-KRWDZBQOSA-N 362.449 1.220 0 50 FDAA CN(C)CCCn1ccnc1C1CCN(C(=O)c2ccc[nH]c2=O)CC1 95384730 PGXABXAKYOPKFT-UHFFFAOYSA-N 357.458 1.543 0 50 FDAA CCN1CC2(CCC1=O)CCN(Cc1cc(=O)n3cccc(O)c3n1)CC2 91808801 WWNIBVOBCGOWGH-UHFFFAOYSA-N 370.453 1.625 0 50 FDAA O=C(Cc1nc2ccccc2[nH]1)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2=O 91547064 IEVADYFOWZUGMK-LSDHHAIUSA-N 352.438 1.965 0 50 FDAA O=C1CCC2(CCN(C(=O)[C@H]3CCOC3)CC2)CN1Cc1ccncc1 91433891 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366.311 1.651 0 50 FDAA COCc1ccc(C(=O)N[C@H]2CCN(Cc3c(C)noc3C)C[C@@H]2O)cc1 1565528762 YYLAHKRLZYGGHS-OALUTQOASA-N 373.453 1.803 0 50 FDAA C[C@@H](C(=O)N1CCC2(CC1)C[C@H]2N(C)Cc1nccs1)n1cncn1 275538264 DJPBEHUZAFHOOF-UONOGXRCSA-N 360.487 1.809 0 50 FDAA Cc1nnc(S)n1CCNC(=O)C1(c2ccc(F)cc2)CCOCC1 170641431 PJDBQLYVHIRSRJ-UHFFFAOYSA-N 364.446 1.879 0 50 FDAA NC(=O)c1cccc(S(=O)(=O)N2C[C@H](CO)[C@H](c3ccsc3)C2)c1 188878717 OYISMPIZTOFRAO-HIFRSBDPSA-N 366.464 1.244 0 50 FDAA C[C@H]1C[C@@H](NC(=O)N2CC(NC(=O)C3CCC3)C2)C(=O)N1c1ccccc1 188876218 OTOFXEKDIDPNFQ-SUMWQHHRSA-N 370.453 1.491 0 50 FDAA Cn1cc([C@H]2OCC[C@@H]2NC(=O)c2cc3c(cc2F)NC(=O)CC3)cn1 190025257 XLKURKNYWRIZAQ-WMLDXEAASA-N 358.373 1.704 0 50 FDAA COC[C@H]1CCCN(S(=O)(=O)NCCc2nc3ccccc3[nH]2)C1 1506405295 ZAHABFSCMOISEK-ZDUSSCGKSA-N 352.460 1.298 0 50 FDAA CN(C)CCN(C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1)C1CCCCC1 1529098846 MDEMROVMQDENAG-UXHICEINSA-N 373.497 1.966 0 50 FDAA CN(C)C(=O)c1ccc(CNc2ccc(C(=O)N3CCOCC3)cn2)o1 1704300696 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CN1CCCC[C@@H]1CN1CCN(C(=O)c2cnn([C@H]3CCCNC3)c2)CC1 333314039 SIQFXRMSOWPTFO-RBUKOAKNSA-N 374.533 1.050 0 50 FDAA COCc1nc2n(n1)C[C@H](NC(=O)c1ccc(OC(F)F)cc1)CC2 135185159 DNKUNLNJBBVOAS-LLVKDONJSA-N 352.341 1.771 0 50 FDAA CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)O[C@H]1CC(=O)N(C)[C@@H]1C 806077794 DHFLDBKWXUUAGT-KMFMINBZSA-N 361.442 1.673 0 50 FDAA Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NOCC2CCC2)cc1 856342526 JEYGRNCUIUNVCS-INIZCTEOSA-N 352.456 1.996 0 50 FDAA C=CC(=O)N(C)CC(=O)N1CCOc2c(Br)cccc2C1 861438272 IUJLVHLUNCXLSB-UHFFFAOYSA-N 353.216 1.815 0 50 FDAA Cc1nc([C@@H]2CCO[C@@H]2CN(C)C(=O)c2cc3nc[nH]c3cc2F)n[nH]1 952886479 PXBHAUMCHAWWLH-MEBBXXQBSA-N 358.377 1.773 0 50 FDAA COc1cc2c(cc1OC)CN(CC(=O)N1CCOC[C@H](C3CC3)C1)CC2 1875296589 FELHEAZACGAIEL-GOSISDBHSA-N 374.481 1.947 0 50 FDAA COCCn1nc2c(c1C(=O)N1CCOC(C)(C)C1)C[C@H](C)O[C@@H]2C 1875314614 JAGMMHGVERPPTP-QWHCGFSZSA-N 351.447 1.803 0 50 FDAA COCCC(=O)NCc1cccc(CN(C)C(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)c1 1875331345 GGYCLMWPERDISK-AYOQOUSVSA-N 358.438 1.523 0 50 FDAA COc1cncc(N2CCN(C(=O)c3n[nH]c4c3C[C@H](C)O[C@@H]4C)CC2)c1 1875395400 WCKJOQIXUOSIPE-QWHCGFSZSA-N 371.441 1.798 0 50 FDAA Cn1cc(C[N@@]2C[C@@H]2COc2ccc(C(=O)NCC(F)(F)F)cc2)cn1 1875382131 RYLQNBLKKPJXSM-SHACYNPGSA-N 368.359 1.975 0 50 FDAA O=C(CN1C(=O)c2ccccc2C1=O)Nc1cc(C(=O)O)cc(C(=O)O)c1 4474066 JBUPMMZALFLJOJ-UHFFFAOYSA-N 368.301 1.318 0 50 FDAA C[C@H]1Oc2ccc(S(=O)(=O)N3CC(=O)Nc4ccccc43)cc2NC1=O 12417032 CMRZECZHFUOFEW-SNVBAGLBSA-N 373.390 1.553 0 50 FDAA N[C@@H](CCC(=O)O)C(=O)N[C@@H]1CN[C@@H](c2ccc(Br)cc2)C1 2325851949 NUYVNKXPCFFRDL-RWMBFGLXSA-N 370.247 1.160 0 50 FDAA CSCCC(=O)N1CCC[C@@H](NC(=O)C(F)(F)c2cnccn2)C1 2325860916 YXPIVDIPOAPRIL-LLVKDONJSA-N 358.414 1.429 0 50 FDAA NC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccccc3F)cc2)C1 794244 BZRKWJVOUWMROZ-LBPRGKRZSA-N 371.368 1.681 0 50 FDAA CS(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccc2c(c1)OCO2 1110646 DGOBRSCEKMNZQI-UHFFFAOYSA-N 362.407 1.498 0 50 FDAA Cc1nc(N2CCC[C@]3(CCc4c[nH]c(=N)nc43)C2)c2c(C)noc2n1 2356158438 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369.425 1.700 0 50 FDAA Cn1c(CN2CC[C@@H](NC(=O)c3ccccn3)[C@H](O)C2)nc2ccccc21 77438735 MWPGHHYMKXPUNX-CRAIPNDOSA-N 365.437 1.334 0 50 FDAA CCCCOc1ccccc1C(=O)N[C@@H]1COCC[C@@H]1OCC(=O)O 218887815 LKJMSEGBVMIKLI-ZBFHGGJFSA-N 351.399 1.854 0 50 FDAA CCN1CCN(Cc2cc(OC)c(O[C@@H](C)C(=O)O)c(OC)c2)CC1=O 216122459 DFXULYDJZKLIPK-LBPRGKRZSA-N 366.414 1.220 0 50 FDAA Cn1c(=O)oc2cc(NC(=O)C(=O)NCCc3cccc(O)c3)ccc21 129403137 WDGLCMMWOXBZMY-UHFFFAOYSA-N 355.350 1.135 0 50 FDAA CSCCCN1C[C@@H](C(=O)O)C[C@@H](C(=O)NCc2cccnc2)C1 72126604 FUHBDISCSNQLBM-CABCVRRESA-N 351.472 1.474 0 50 FDAA COc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)cc1OC 262793773 DIRDVSWQPPBVSP-SECBINFHSA-N 363.819 1.843 0 50 FDAA CC(C)C[C@@H](O)C(=O)N1CCc2c(nc(-c3cccnc3)nc2N(C)C)C1 71775647 WHGZHKQZNLSSNS-QGZVFWFLSA-N 369.469 1.896 0 50 FDAA CC(C)CS(=O)(=O)CCNc1nc(-c2ccncc2)nc2c1CNC2 72151069 INIZNBKEABTPIP-UHFFFAOYSA-N 361.471 1.625 0 50 FDAA O=C(N[C@@H]1CCOC[C@H]1Oc1ccccn1)c1cccc2c1OCCO2 219754415 AUQLRAZEBVCCHS-GDBMZVCRSA-N 356.378 1.819 0 50 FDAA COc1ccc(OC[C@@H]2CCCN(C(=O)CCNS(C)(=O)=O)C2)cc1 77542307 BODOYFHOWKAKOX-CQSZACIVSA-N 370.471 1.252 0 50 FDAA CC[C@H](NS(=O)(=O)N1CCc2ccccc2C1)[C@H](O)C(F)(F)F 332707666 KJXAIYTYRLKNRU-STQMWFEESA-N 352.378 1.581 0 50 FDAA CSCC(=O)N1CCC[C@]2(CO)CN(C(=O)c3ccncc3)CC[C@@H]12 72148698 UEIOXSSPYDRJNA-CRAIPNDOSA-N 363.483 1.260 0 50 FDAA CC[C@H]1c2cccn2CCN1C(=O)COc1ccc(-n2cnnn2)cc1 77323398 CSNNFEXCFZFHQS-INIZCTEOSA-N 352.398 1.836 0 50 FDAA CCCCn1nc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)O)ccc1=O 236750354 SHSUISLNKVUFJI-INIZCTEOSA-N 355.394 1.695 0 50 FDAA CN1CC2(CCN(C(=O)CCc3nc(-c4cccnc4)no3)CC2)OC1=O 77486784 OZIFHCUWBJBWRW-UHFFFAOYSA-N 371.397 1.507 0 50 FDAA Cc1nc(C[C@H]2CCCN(C(=O)c3cn(C)nc3[C@@H]3CCCNC3)C2)no1 333462605 GTPZOIJDDXDYNZ-HUUCEWRRSA-N 372.473 1.673 0 50 FDAA CN1CCN(S(=O)(=O)N2CCCC[C@@H]2CCc2ccc(O)cc2)CC1 72163883 WWNJHHOHGBSINM-QGZVFWFLSA-N 367.515 1.672 0 50 FDAA O=C(CCc1ccccc1)[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c(O)n2)C1 77388539 WIZLHIHQINBNDO-CQSZACIVSA-N 355.394 1.530 0 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371.481 1.596 0 50 FDAA CN(C)C(=O)c1ccc(N2CCCN(C3Cc4ccccc4C3)CC2)nn1 1857672435 BXTRSVOPXXXMEV-UHFFFAOYSA-N 365.481 1.858 0 50 FDAA COc1ccnc(N2C[C@@H]3[C@H](CNC(=O)c4ccco4)[C@H]4CC[C@]3(C2)O4)n1 1857711580 HTSDPJJLJYWFPT-FGBSKUFISA-N 370.409 1.492 0 50 FDAA OCC[C@H]1CN2C[C@@H](n3ccnc3-c3ccc4c(c3)OCO4)C[C@H]2CO1 1857730495 UMKOECZAUALLJR-JYJNAYRXSA-N 357.410 1.675 0 50 FDAA Cc1nsnc1C(=O)NC[C@H]1[C@H]2CN(c3ncccn3)C[C@]23CC[C@H]1O3 1857734467 SUARKQGXURCSAH-SFDCBXKLSA-N 372.454 1.050 0 50 FDAA CCc1nn(C)cc1C(=O)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1 328615693 BAFGWLFRKWXZKM-KRWDZBQOSA-N 370.457 1.586 0 50 FDAA Cc1c(C(=O)OCC2CCOCC2)nnn1-c1ccc2c(c1)OCCO2 732595442 PNEVHEXERAKZBI-UHFFFAOYSA-N 359.382 1.930 0 50 FDAA O=C(CCN1CCN(c2ccccc2)CC1)N[C@@H]1CCc2c[nH]nc2C1 363942995 FBHPUNAPXQFNQK-QGZVFWFLSA-N 353.470 1.596 0 50 FDAA CN1CCO[C@@H](C(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)C1 154036430 MHLHFDNHUPEEMH-GFCCVEGCSA-N 362.257 1.993 0 50 FDAA Cc1ccccc1[C@H](N)C(=O)N1CCC(c2n[nH]c3c2CNCC3)CC1 952890490 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1.045 0 50 FDAA c1ccc(-c2nc3c(c(NCCCn4cncn4)n2)CCNCC3)nc1 72456567 XDRUKPQVGMLFJK-UHFFFAOYSA-N 350.430 1.321 0 50 FDAA CNS(=O)(=O)c1cccc(NC(=O)N2CC[C@H](OC)C(C)(C)C2)c1 454465036 RKDLDJSOGSLSAO-AWEZNQCLSA-N 355.460 1.874 0 50 FDAA CN1CCC(N(CCc2ccccc2)S(=O)(=O)c2cnn(C)c2)CC1 72169299 RUTUKUGGDMODDZ-UHFFFAOYSA-N 362.499 1.748 0 50 FDAA Cn1nccc1[C@H]1[C@H](NCc2cccc3c2OCO3)CC(=O)N1C1CC1 284421318 CYIJOVHZPVAIHS-RDTXWAMCSA-N 354.410 1.743 0 50 FDAA CN1CCC(=O)Nc2cc(C(=O)NCCN3CCOC(C)(C)C3)ccc21 174462582 JYTZHWQUTBWPJL-UHFFFAOYSA-N 360.458 1.306 0 50 FDAA COc1cccc([C@@H]2C[C@H](C(=O)N3CCCCC3)N(C)S(=O)(=O)N2)c1 225263349 PAYZMHQIQRFAAF-JKSUJKDBSA-N 367.471 1.287 0 50 FDAA CCn1ncnc1[C@H](NC(=O)c1coc(CN2CCOCC2)c1)C1CC1 426388369 FZAPJHADSNNAHT-MRXNPFEDSA-N 359.430 1.604 0 50 FDAA O=C(NCCCc1nn[nH]n1)N1CCN([C@H]2CCc3ccccc3C2)CC1 426490458 IAPSFBAHXAHMSH-KRWDZBQOSA-N 369.473 1.017 0 50 FDAA CN1CCN(C(=O)c2ccnc(-c3ccc(C(N)=O)c(Cl)c3)c2)CC1 97600982 IVLYCILOCGLGIS-UHFFFAOYSA-N 358.829 1.889 0 50 FDAA 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354.410 1.492 0 50 FDAA O=C(NCC[C@@H](O)CO)C1CCN(c2nc3ccc(Cl)cc3o2)CC1 1857717789 YDPVFDONRJXHPF-CYBMUJFWSA-N 367.833 1.557 0 50 FDAA O=C(NCc1nncn1C1CCCCC1)[C@H]1CC(=O)N(c2nccs2)C1 1857733830 AQOIRRJSCAXZAU-LBPRGKRZSA-N 374.470 1.909 0 50 FDAA COCCC(=O)N1CCC(NC(=O)N2CCN(c3ccccc3)CC2)CC1 124186320 DHNWWCUBGMPHGY-UHFFFAOYSA-N 374.485 1.546 0 50 FDAA COc1ccc(F)cc1C(=O)N1CCC([C@@H]2CC[C@H](C(N)=O)O2)CC1 952888926 QECIXIIXZJYYLG-GOEBONIOSA-N 350.390 1.719 0 50 FDAA CN1CC[C@H](CNC(=O)N2CC[C@H](C(F)(F)F)[C@@H](CN)C2)CC1=O 952852348 ZJRGFHHNGNTSLH-SRVKXCTJSA-N 350.385 1.024 0 50 FDAA O=C1Nc2ccccc2C[C@H]1NC(=O)[C@@H]1NCCc2c1ccc(F)c2F 1875292515 KMSDMMWIWJOXFG-NVXWUHKLSA-N 357.360 1.831 0 50 FDAA C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)/C=C/CN(C)C 1875375709 MMBCNNHXYYCVDJ-HOQBHHMFSA-N 355.479 1.981 0 50 FDAA C=CC(=O)N1CCC(C(=O)N[C@@H](C)C(=O)N2CCc3ccccc32)CC1 1875370815 FBUPNPIEAMWTEM-AWEZNQCLSA-N 355.438 1.505 0 50 FDAA COC(=O)[C@]1(NC(=O)[C@H](N)Cc2cc3ccccc3o2)CCCSC1 1875383529 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2356148283 PAESVUPSLBODGM-INIZCTEOSA-N 356.430 1.020 0 50 FDAA CN(CC(=O)N1CCC[C@]2(CCc3c[nH]c(=N)nc32)C1)Cc1cccnc1 2356156003 RFGAJUSIILRNAW-FQEVSTJZSA-N 366.469 1.223 0 50 FDAA COCCN1CCC[C@]2(CCCN2C(=O)c2ccc(O)c(F)c2)C1=O 2356167001 QTOYQCMYLLLPIA-SFHVURJKSA-N 350.390 1.775 0 50 FDAA CC(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)CC1 6742080 MOMIRGPIVWUDFA-UHFFFAOYSA-N 353.444 1.134 0 50 FDAA O=C1[C@H](N2CCC(c3ccnn3CCO)CC2)CCN1c1ccccc1 109327015 ILEZBYJWDVLCNT-LJQANCHMSA-N 354.454 1.860 0 50 FDAA O=C1CCc2ccccc2N1CC(=O)N1CCCC[C@@H]1c1nc(O)n[nH]1 420095090 JMLCFXMDMNWSPD-CQSZACIVSA-N 355.398 1.543 0 50 FDAA O=C(CN1CCC[C@H](OCc2ccccn2)C1)N=c1[nH]c2ccccc2[nH]1 67560029 IYSMEGGGSKJTGQ-INIZCTEOSA-N 365.437 2.000 0 50 FDAA COC(=O)c1[nH]c(C(C)(C)NC(=O)OCc2ccccc2)nc(=O)c1O 21299554 NIVUTAZNLHLBAN-UHFFFAOYSA-N 361.354 1.424 0 50 FDAA in-vitro CNC(=O)CN(C)C[C@@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O 67446572 NRCWZHHMDBFUBH-FQEVSTJZSA-N 361.486 1.341 0 50 FDAA O=C1C[C@H](C(=O)N2CCC(Cn3cc(Cc4ccccc4)nn3)CC2)CN1 20778796 GMHQQDPKBFIYSS-KRWDZBQOSA-N 367.453 1.244 0 50 FDAA CS(=O)(=O)N[C@@H]1CCN(C(=O)c2csc(-c3ccccc3)n2)C1 116834350 JQCCRHCTPPEGTA-GFCCVEGCSA-N 351.453 1.574 0 50 FDAA CCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1ccc(-c2ccc(O)cc2)cc1 67840547 ZXFUQHRFILFODL-AEFFLSMTSA-N 353.422 1.737 0 50 FDAA O=C(O)c1nn(Cc2ccccn2)c2c1CN(C(=O)C1CCOCC1)CC2 67713156 BDLIKCXWWNGYOP-UHFFFAOYSA-N 370.409 1.336 0 50 FDAA Cc1ccc2cc(CN3CCC(n4cc(CN)nn4)CC3)c(=O)[nH]c2c1 23478381 OVVOWECDZJQPCQ-UHFFFAOYSA-N 352.442 1.724 0 50 FDAA COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1nc2ccccc2[nH]1 60783241 AIOCPJRQVVAEMS-UHFFFAOYSA-N 360.395 1.149 0 50 FDAA CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)COc1ccc(CC)cc1 252490529 KWMRVYCEBBAPJN-CHWSQXEVSA-N 350.415 1.200 0 50 FDAA Cc1cccnc1N1CCN(C(=O)c2cc(CC(C)C)nc(N)n2)CC1 67742688 QKRLFDNDSRLGAF-UHFFFAOYSA-N 354.458 1.923 0 50 FDAA O=C(Cn1nnc(-c2ccc(F)cc2)n1)N1CCC[C@H](c2ccn[nH]2)C1 77357266 DGNIGASBSPEOOX-ZDUSSCGKSA-N 355.377 1.609 0 50 FDAA O=C(c1cn(C[C@H]2CCCNC2)nn1)N1CCN(Cc2cccs2)CC1 215861440 XEWCSFSOIFKUFK-HNNXBMFYSA-N 374.514 1.297 0 50 FDAA O=C(C1CC1)N1CCc2cccc(S(=O)(=O)N3CCOCC3)c2C1 77525603 NLLMSPQDUWRLLY-UHFFFAOYSA-N 350.440 1.002 0 50 FDAA CN(Cc1csc(-c2ccccc2)n1)C(=O)CCNS(C)(=O)=O 72473969 ZPHNQVPHPULEPK-UHFFFAOYSA-N 353.469 1.708 0 50 FDAA CN(C)c1nc(-c2cccnc2)nc2c1CCN(C(=O)[C@H]1CCCO1)C2 71736541 MMVWCQTZZWIVKK-MRXNPFEDSA-N 353.426 1.668 0 50 FDAA CCCCCCN1CC2(CCN(C(=O)C3=NNC(=O)CC3)CC2)OC1=O 77537666 SIEFCFRAAKTOQW-UHFFFAOYSA-N 364.446 1.646 0 50 FDAA Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)c2nccn3ccnc23)o1 329154225 BGMXPXURGGTZON-RYUDHWBXSA-N 359.365 1.110 0 50 FDAA COc1cccc2c1OC[C@H](C(=O)N1CCN(Cc3ccccn3)CC1)C2 76196319 FWFFNQKULUYNSS-QGZVFWFLSA-N 367.449 1.986 0 50 FDAA COc1ccc(CCC2CCN(C(=O)CN3CCOCC3=O)CC2)cc1 329839830 JIMDMXWKOPVUEK-UHFFFAOYSA-N 360.454 1.725 0 50 FDAA c1cn(CCCCCN2CCOCC2)c(-c2cc3n(n2)CCCNC3)n1 72448389 AXBMRMPMLZWFOU-UHFFFAOYSA-N 358.490 1.742 0 50 FDAA COc1cccc(CN2CCOC[C@@H](O)C2)c1OCCCn1ccnc1 77538318 VTUHFHJKAHBXDL-KRWDZBQOSA-N 361.442 1.554 0 50 FDAA NC1CCC(NC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 262554569 WFDOTTCFKPUAGB-YMAMQOFZSA-N 359.426 1.406 0 50 FDAA O=C(c1cnccn1)N1CCc2ccc(S(=O)(=O)NC3CCC3)cc2C1 77452127 FEHVCFSFTRTXCN-UHFFFAOYSA-N 372.450 1.506 0 50 FDAA O=S(=O)(N1CCCC1)N1CCN(Cc2nc3c(s2)CCCC3)CC1 215423728 SHMRBCXBKGNEPF-UHFFFAOYSA-N 370.544 1.480 0 50 FDAA C[C@@]1(NC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)CCCC[C@H]1C(=O)O 262717411 DAWYEHPLNSDTPT-ORAYPTAESA-N 370.409 1.735 0 50 FDAA Cc1onc(N)c1S(=O)(=O)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 377857260 ROMGZRVJHNFMBQ-MRXNPFEDSA-N 369.418 1.320 0 50 FDAA CC(C)c1ccc(C(=O)N2CCC[C@H](N3CCC(CO)CC3)C2)c(=O)[nH]1 72152988 TYAGPJQOKZJOPS-INIZCTEOSA-N 361.486 1.807 0 50 FDAA CN1CCO[C@H](CN(CC2CC2)C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)C1 332992801 ADWOUUXNMZICBH-FGTMMUONSA-N 351.491 1.696 0 50 FDAA CNS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)[C@@H](C)C(=O)O)o1 263016774 STIKGSIMVPQKHD-NSHDSACASA-N 366.395 1.303 0 50 FDAA O=C(NCCn1ccnc1-c1cc2n(n1)CCNC2)c1ccc(F)cc1 72468981 YLULMFMNMUIRJH-UHFFFAOYSA-N 354.389 1.419 0 50 FDAA Cc1nc(CCNC(=O)C[C@H]2COCCN2C(=O)c2ccsc2)no1 72168793 CWJBOURLYVQJEH-ZDUSSCGKSA-N 364.427 1.030 0 50 FDAA NCCN1CCc2nc(-c3ccccc3)nc(N3CC[C@H](O)C3)c2CC1 72473713 RNCPYLRNTPWRRB-INIZCTEOSA-N 353.470 1.074 0 50 FDAA COc1ccc(N2CCN(CCCS(=O)(=O)N(C)C)[C@@H](C)C2=O)cc1 77299505 PVSKFIJMBLEBQT-AWEZNQCLSA-N 369.487 1.014 0 50 FDAA C[C@@H](CCc1ccccc1F)C(=O)Nc1nc(CS(C)(=O)=O)no1 173610976 DAKPHYVECYFQKC-JTQLQIEISA-N 355.391 1.961 0 50 FDAA CN(C)c1nc(C2CC(N)C2)cc(N2CCC(Oc3ncccn3)CC2)n1 220214929 ARRDDVLAXZVFAW-UHFFFAOYSA-N 369.473 1.585 0 50 FDAA CN(C)C(=O)N1CCn2nc(CNC(=O)COCc3ccccc3)cc2C1 82097156 ZLLCMKHQPSDPDL-UHFFFAOYSA-N 371.441 1.213 0 50 FDAA CC1=C(C(=O)NC[C@H]2CC(=O)N(C)c3ccccc32)SC2=NCCN21 221182123 FDWHJKFJSNVJJN-GFCCVEGCSA-N 356.451 1.903 0 50 FDAA COc1ccc(C(=O)NCc2cc3n(n2)CCCN(C(=O)N(C)C)C3)cc1 82108554 VYGLNSZWVOSBMZ-UHFFFAOYSA-N 371.441 1.709 0 50 FDAA O=C([C@@H]1Cc2ccccc2S(=O)(=O)N1)N1CCOC2(CCCC2)C1 221356729 WJOULTZBJNOFPX-AWEZNQCLSA-N 350.440 1.061 0 50 FDAA Cc1nnc(SCC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)s1 223372346 QUMBLBYGBJAELC-GFCCVEGCSA-N 370.500 1.036 0 50 FDAA CCSCCC(=O)NCc1cc2n(n1)CCCN(C(=O)N(C)C)C2 85533980 SSJBXHMMQAHQSH-UHFFFAOYSA-N 353.492 1.530 0 50 FDAA COc1cccc(CC(=O)N[C@@H]2CCN(Cc3cscn3)C[C@H]2O)c1 426472562 ARRDOQFZGZECOY-IAGOWNOFSA-N 361.467 1.446 0 50 FDAA Cc1cc(C)n2nc(C(=O)N[C@@H](c3ccccn3)[C@H]3C[C@@H](O)C3)nc2n1 222422987 BIIJNBZNCCULMW-UMVBOHGHSA-N 352.398 1.378 0 50 FDAA Cc1ccc(CNC(=O)N2CCCN(S(=O)(=O)N3CCCC3)CC2)o1 426489740 YVICAXCJQLVMKA-UHFFFAOYSA-N 370.475 1.146 0 50 FDAA O=C1CN(C(=O)c2cccc(-c3ccc(C(=O)NC4CC4)s3)c2)CCN1 426361458 XWIIRALLYNIIDG-UHFFFAOYSA-N 369.446 1.879 0 50 FDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1c(C)noc1C)CC2 91416832 YGLWSVFRDNZBGZ-UHFFFAOYSA-N 371.441 1.941 0 50 FDAA CN(C)c1ccc(CC(=O)N2CCC[C@H](c3nccn3CC(N)=O)C2)cc1 95520286 OMOKITQRQAZVRS-INIZCTEOSA-N 369.469 1.383 0 50 FDAA COc1c(F)c(F)c(Cn2ncc(N3CCOCC3)cc2=O)c(F)c1F 95358165 BKOJAQLZHZSTNQ-UHFFFAOYSA-N 373.306 1.693 0 50 FDAA CN(C)C(=O)NCC(=O)N1CCC[C@H](c2nccn2Cc2ccccn2)C1 95497023 YHFTYGNUDACUBO-HNNXBMFYSA-N 370.457 1.304 0 50 FDAA NC(=O)c1ccc(F)c(NC(=O)N2C[C@H]3C[C@@H](C2)[C@@H]2CCCC(=O)N2C3)c1 95525145 RVSVVHOTERWXKW-FFSVYQOJSA-N 374.416 1.789 0 50 FDAA O=C1CC[C@H](C(=O)N(Cc2ccncc2)Cc2ccc(F)cc2)NC(=O)N1 97657255 LWGSADGRSGOHOP-MRXNPFEDSA-N 370.384 1.738 0 50 FDAA Cc1nccn1-c1ccc(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1 95353925 BVLRBUYOFKSRDJ-KRWDZBQOSA-N 369.469 1.207 0 50 FDAA Cc1[nH]nc(CCC(=O)N2C[C@H]3CC[C@@H]2CN(c2ncccn2)C3)c1C 91830261 LMCADDFOUZOYDX-JKSUJKDBSA-N 354.458 1.877 0 50 FDAA O=C(c1ccccc1)N1CCC(N2C[C@H](CO)[C@H](CN3CCCC3)C2)CC1 92036991 JKAFUOQEPRQUFO-WOJBJXKFSA-N 371.525 1.927 0 50 FDAA O=C1CCCN1[C@@H]1CCCN(Cc2cnc(N3CCOCC3)s2)C1 97480057 WKWIHVVLWBMGAH-CQSZACIVSA-N 350.488 1.567 0 50 FDAA O=C(O)[C@H](c1ccc2c(c1)OCCO2)N1CCN(C2CCCC2)C(=O)C1 95377100 QGBSYVREPPOJAE-SFHVURJKSA-N 360.410 1.670 0 50 FDAA Cc1cc(C[C@H](C)NS(=O)(=O)c2ccc(C(=O)NC3CC3)cc2)[nH]n1 91643684 SJCZZXLURPSSMT-LBPRGKRZSA-N 362.455 1.520 0 50 FDAA CSCCc1nc(CN2C(=O)CN(C)C2=O)n(CCc2ccccc2)n1 96136634 UWAXDYHQQQOOIY-UHFFFAOYSA-N 373.482 1.820 0 50 FDAA CN1CCN(CC2(CNC(=O)c3c[nH]c(=O)c4ccccc34)CC2)CC1 97819617 IDTLUEVMGKCBIT-UHFFFAOYSA-N 354.454 1.286 0 50 FDAA CN1CCc2[nH]cnc2C12CCN(C(=O)c1scc3c1OCCO3)CC2 92019793 SPAJBPRNDODIBN-UHFFFAOYSA-N 374.466 1.862 0 50 FDAA Cc1ccc(F)cc1C(=O)N1C[C@H]2CC[C@@H]1CN(S(=O)(=O)N(C)C)C2 91645439 NWSGEWDEONWFOX-DZGCQCFKSA-N 369.462 1.477 0 50 FDAA CCSc1nnc(NC(=O)CN2CCC(c3nc(C)n[nH]3)CC2)s1 244718761 LQIRPNZPAGOWPM-UHFFFAOYSA-N 367.504 1.895 0 50 FDAA CC(C)(C)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]2C1=O)[C@H]1C(=O)N(C(C)(C)C)C(=O)[C@H]31 244719231 LZGVDLOLBZIVCC-CLHCLYRXSA-N 358.438 1.602 0 50 FDAA CCc1cccc(C)c1N1C[C@@H](C(=O)NCCCn2ccnn2)CC1=O 244741948 NZMROIYMHMRCCR-INIZCTEOSA-N 355.442 1.708 0 50 FDAA O=C(O)[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 299752417 UBKUMGCCLFOJON-AVGNSLFASA-N 354.200 1.865 0 50 FDAA C[C@H](NC(=O)[C@H]1C[C@H](O)CN1)c1cc2c(cc1Br)OCCO2 299752071 SQKNFMDZQSNBFI-HOTUBEGUSA-N 371.231 1.120 0 50 FDAA Cc1nc2ccc(C(=O)N3CCC[C@H](c4nnc(CO)n4C)C3)cc2o1 299774021 DTRFKEQAJFASJT-ZDUSSCGKSA-N 355.398 1.777 0 50 FDAA CN(C)C(=O)[C@@H]1CN(C(=O)NC2(Cc3ccc(Cl)cc3)CC2)CCO1 584884902 ZQHLZDFBGYMFIL-HNNXBMFYSA-N 365.861 1.914 0 50 FDAA CCC[C@H](NC(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1)C(=O)O 670433981 YXHSEXSVCVBITJ-HNNXBMFYSA-N 363.414 1.416 0 50 FDAA CS(=O)(=O)N1CCC[C@@H](CNC(=O)C2(N3CCCC3)CCCCC2)C1 952968435 JXZFTHCMPJKECH-INIZCTEOSA-N 371.547 1.573 0 50 FDAA CC1CCN(CC(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(CO)cc2)CC1 1565526738 ALBUUESDZJUKSP-OALUTQOASA-N 362.470 1.563 0 50 FDAA Cc1cnc2c(C(=O)N[C@H]3COCC[C@@H]3Oc3ccccn3)cnn2c1 1565511666 WYALDIZOIRGOKA-GJZGRUSLSA-N 353.382 1.399 0 50 FDAA Cn1ccc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c1 268593784 NIUJCYLDQJLEBO-UHFFFAOYSA-N 353.469 1.670 0 50 FDAA COc1ccc2c(c1)OC[C@@H](NC(=O)N[C@H]1c3ccccc3C[C@H]1O)C2 271131353 MAFOHROJYDFKSF-YJLNNSPDSA-N 354.406 1.956 0 50 FDAA CCC(CC)[C@@H](CNC(=O)[C@@H]1CCCS(=O)(=O)C1)N1CCOCC1 390832756 AJUVGKYUHRUWPP-HZPDHXFCSA-N 360.520 1.064 0 50 FDAA C[C@H](CC(=O)N1CCO[C@H](CN(C)CC(=O)O)C1)Cc1cccc(F)c1 275707665 NWWDSTCQOBPRNS-WMLDXEAASA-N 366.433 1.638 0 50 FDAA Cc1csc([C@H]2COCCN2C(=O)COc2c(C)nn(C)c2C)n1 188673119 DGLUJQWSLPGCCQ-CYBMUJFWSA-N 350.444 1.781 0 50 FDAA CN(C)S(=O)(=O)C[C@H]1CN(c2ccc3cc(Cl)ccc3n2)C[C@@H]1O 1616081332 XPNPNVABLNVWRI-DOMZBBRYSA-N 369.874 1.577 0 50 FDAA Cc1cc(C)c(CN2CC[C@H](NC(=O)c3cnccn3)[C@@H](O)C2)cc1C 1616106526 VMMWZBRLVMWYDL-HKUYNNGSSA-N 354.454 1.767 0 50 FDAA COCCc1noc([C@H]2CCCCN2C(=O)CCc2csc(N)n2)n1 1506428936 ZQYFLTQRGSOCOH-GFCCVEGCSA-N 365.459 1.984 0 50 FDAA Cc1cccc(NC(=O)CC(=O)N2CCC[C@H](CS(C)(=O)=O)C2)c1C 1506412325 WWJBDXOIOSWSIJ-HNNXBMFYSA-N 366.483 1.915 0 50 FDAA Cc1cc(C(N)=O)c(N2CCC([C@@H](C)N3CCN(C)CC3)CC2)nc1C 1529171901 AINJFTXSBHBOJS-MRXNPFEDSA-N 359.518 1.650 0 50 FDAA Cc1ncc(CN(CCO)C(=O)CN2C[C@@H](c3ccccc3)CC2=O)[nH]1 1704314493 SSYKCCWFPHGEQH-INIZCTEOSA-N 356.426 1.055 0 50 FDAA O=C(c1nnc2n1CCCC2)N1C[C@H]2CNC[C@]2(CCc2ccccc2)C1 1772707006 IZCDDDPSKUEEMP-DYESRHJHSA-N 365.481 1.909 0 50 FDAA Cc1cc(C(F)(F)F)n(C[C@H](C)CNC(=O)c2cnc(C(N)=O)cn2)n1 1772708494 BQGSYDLHAIASFG-MRVPVSSYSA-N 370.335 1.165 0 50 FDAA O=C(O)[C@@H]1CN(C(=O)c2cnnn2-c2ccccc2)CC12CCOCC2 1775981416 SYJIZWSQXABLJL-AWEZNQCLSA-N 356.382 1.221 0 50 FDAA CC(C)C1=NO[C@@H](C(=O)N2CCCN(Cc3cnn4cccnc34)CC2)C1 1775980998 NBIKRUVJFMXWAY-QGZVFWFLSA-N 370.457 1.565 0 50 FDAA C[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 12383463 DOYDFTGTEIUMQS-LBPRGKRZSA-N 373.434 1.516 0 50 FDAA O=C(Cn1cccn1)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 12464763 ATHZZKKLFSAORT-CYBMUJFWSA-N 366.343 1.819 0 50 FDAA Cc1ccccc1CC[C@H]1CCCN(C(=O)c2cc(=O)n(C)c(=O)n2C)C1 12711103 JXTITFZMOHCKIG-MRXNPFEDSA-N 369.465 1.877 0 50 FDAA N=c1[nH]cc(C(=O)N2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)s1 1857675201 NTUYTDLYKOCTLH-KRWDZBQOSA-N 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1875250329 PINGZQXLNBWQFS-VQIMIIECSA-N 373.409 1.602 0 50 FDAA CC(=O)N[C@H](CC(=O)N1CC[C@H](N)C1)c1ccc(Br)cc1 236719768 ZYZOBDJKAJEPTG-UONOGXRCSA-N 354.248 1.576 0 50 FDAA Nc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cccc4c3OCCO4)C1)CC2 1704302468 MAPMPQXBVAMBID-FQEVSTJZSA-N 366.421 1.950 0 50 FDAA O=C(NCc1ccccc1C(F)(F)F)NC[C@]12COCCN1C(=O)OC2 868167261 ITDWOUSVHZRDQX-OAHLLOKOSA-N 373.331 1.726 0 50 FDAA CO[C@H]1C[C@@H](CNC(=O)c2cnc(C)nc2C)N(c2cc(C)ncn2)C1 952890979 QAVASDMZJYXFHY-GJZGRUSLSA-N 356.430 1.216 0 50 FDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)CCN(C)C3CCN(C)CC3)n[nH]c21 1875393876 OHJOFNGPDDZVQC-KGLIPLIRSA-N 363.506 1.530 0 50 FDAA COc1ccc(F)c(C(=O)N[C@@H]2C[C@H](Cn3ccnc3)C[C@H]2O)c1OC 1875402075 ASHXBCVXAMFOBQ-IACUBPJLSA-N 363.389 1.609 0 50 FDAA CC(=O)NCc1cc(O[C@@H]2CCN(C(=O)c3oc(C)nc3C)C2)ccn1 886094839 DWGLWWKKVDZDCW-MRXNPFEDSA-N 358.398 1.616 0 50 FDAA C/C(=C\C(=O)N1CC(N2CCOC[C@@H]2c2nc(C)no2)C1)c1ccco1 888094154 QKIRPEQEBKPULH-INDWDQIESA-N 358.398 1.659 0 50 FDAA CNS(=O)(=O)c1cccc(NC(=O)N2CCC(c3ccon3)CC2)c1 888101733 DHRWVHJBALEKTD-UHFFFAOYSA-N 364.427 1.994 0 50 FDAA O=C(N[C@H]1CCc2nnc(O)cc2C1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 2325803448 HSBCFBLIXDRZNJ-JSGCOSHPSA-N 370.384 1.348 0 50 FDAA Cc1ccc(C(=O)OCC(=O)N2CCCC[C@H]2C(N)=O)c2c1NCCC2 2325826908 PTHZBPRMZCHWKU-HNNXBMFYSA-N 359.426 1.376 0 50 FDAA O=C(c1cncc(-c2ccncc2)c1)N1CCN(c2ccc(O)nn2)CC1 2325879065 GOGGCMHLJKOPNY-UHFFFAOYSA-N 362.393 1.602 0 50 FDAA O=c1[nH]cnc2nc(-c3ccc(I)cc3)cnc12 5450530 OGXXUOMRMPSEBF-UHFFFAOYSA-N 350.119 1.985 0 50 FDAA O=C(Nc1cccnc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 806102 NZCRVSPBHGJPDV-UHFFFAOYSA-N 365.386 1.494 0 50 FDAA O=C(c1ccc(C(F)(F)F)nc1)N1CCC2(CC1)C[C@@H](O)[C@@H](O)CO2 2356154618 CFRRTFRKJCZTTN-NEPJUHHUSA-N 360.332 1.217 0 50 FDAA Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCCN(C)C 10111479 MLJLCSCKXUDPIH-UHFFFAOYSA-N 353.488 1.461 0 50 FDAA O=C1c2ccccc2C(=O)N1c1nc2[nH]c(-c3ccccc3)cc(=O)n2n1 100907182 SAIVXBYETFIWHY-UHFFFAOYSA-N 357.329 1.885 0 50 FDAA O=C1N[C@@H]2CCCC[C@H]2N[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 101487833 UWBQHZKARFQCON-KZNAEPCWSA-N 356.470 1.125 0 50 FDAA O=C(c1cccc(F)c1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 9577053 XVNRYAMQGKYJQC-GOSISDBHSA-N 370.380 1.950 0 50 FDAA Cc1nnnn1CC(=O)NCc1cccnc1N(C)Cc1ccccc1 67740433 NERVHTDFEYUCRD-UHFFFAOYSA-N 351.414 1.329 0 50 FDAA O=C(N[C@@H](CO)c1cccnc1)c1cc(Cn2cnc3ccccc32)[nH]n1 67804774 QXXCRRRJKWUKJZ-KRWDZBQOSA-N 362.393 1.666 0 50 FDAA CC(=O)N1C[C@H]2CN(Cc3cnn(-c4ccccc4)c3)C[C@@]2(C(=O)O)C1 65385067 RDHJMRFDCBIXMK-VQIMIIECSA-N 354.410 1.237 0 50 FDAA COCCNC(=O)[C@H]1CCCN(C2CCN(Cc3cccc(C)n3)CC2)C1 67934449 PGNUTYVSRJITNK-SFHVURJKSA-N 374.529 1.829 0 50 FDAA COc1ccccc1N1CC[C@H](N2CCN(CC(C)(C)O)C[C@@H]2C)C1=O 248733693 KFYNZOBPJTYBIR-RDJZCZTQSA-N 361.486 1.578 0 50 FDAA O[C@H]1CN(C2CCN(c3ccc4c(c3)CCC4)CC2)C[C@@H]1N1CCOCC1 22913257 QKNKYQFDGGXGMQ-VXKWHMMOSA-N 371.525 1.521 0 50 FDAA CC(C)c1ccc(CN2CCC[C@](O)(CN3CCCNC(=O)C3)C2=O)cc1 67696200 QITOHKGERQQTKY-NRFANRHFSA-N 373.497 1.485 0 50 FDAA CCOc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 22514513 IITLWIHUXQUPDG-HNNXBMFYSA-N 369.487 1.220 0 50 FDAA CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cnc(-c2ccccc2)nc1 67713077 HSKVOQQPZKDEKC-SJORKVTESA-N 367.453 1.554 0 50 FDAA Cc1nnnn1-c1cccc(NC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)c1 252522982 BOVHLIUAFMOMOX-AWEZNQCLSA-N 361.427 1.124 0 50 FDAA CN1CCO[C@@H]2CN(C(=O)Nc3cc(-c4cccc(Cl)c4)on3)C[C@@H]21 330189018 LNXFTKSFFJEOQV-DZGCQCFKSA-N 362.817 2.542 0 50 FDAA COc1cccc(CNCCSC)c1OC[C@@H](O)CN1CCOCC1 39466392 AIBUQZGIJJLBRW-INIZCTEOSA-N 370.515 1.220 0 50 FDAA CCNC(=O)c1ccc(NC[C@H]2CCc3nc(C(F)(F)F)cn3C2)nn1 328630091 PNOOCSLFNOARDV-SNVBAGLBSA-N 368.363 2.116 0 50 FDAA CS(=O)(=O)N(C1CCC1)[C@H]1CCCN(C(=O)CC[C@@H]2CCOC2)CC1 328631112 KAWNLPMSFWCJJA-WBVHZDCISA-N 372.531 1.998 0 50 FDAA CN1C(=O)CC[C@@H](C(=O)N2CCc3ncnc(O)c3C2)[C@@H]1c1ccccc1 476989861 WEXFIIVMECXULB-KDOFPFPSSA-N 366.421 1.677 0 50 FDAA O=C(CCc1cc2n(n1)CCNC2)NCc1nc(Cc2ccccc2)no1 72475289 SBMGPPPVRMWXSF-UHFFFAOYSA-N 366.425 1.209 0 50 FDAA C[C@H](NC(=O)N1CC[C@H](CS(C)(=O)=O)C1)[C@H]1COc2ccccc21 331629056 IAIRCLIFVFLIMC-KCQAQPDRSA-N 352.456 1.627 0 50 FDAA COc1ccc(S(=O)(=O)NCCn2ccnc2-c2[nH]cnc2C)cc1 72468470 GXIXZZASQGOYQM-UHFFFAOYSA-N 361.427 1.569 0 50 FDAA O=C(CCN1CCOCC1)N1CCn2nc([C@@H](O)c3ccccc3)cc2C1 219608190 PXROJLIPRCGMSA-FQEVSTJZSA-N 370.453 1.029 0 50 FDAA CS(=O)(=O)Cc1c(C(=O)N2CCCC[C@H]2CN)oc2ccccc12 131003494 PVPUDEAEJZZNQE-LBPRGKRZSA-N 350.440 1.931 0 50 FDAA C[C@H](C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)c1cccs1 173051907 NHBCGJCQHSCIHW-LBPRGKRZSA-N 369.468 1.514 0 50 FDAA O=C(c1ccccc1[C@@H]1CCNC1)N1CCCN(c2ncccn2)CC1 72130802 MEJNIACSGJFGOG-MRXNPFEDSA-N 351.454 1.906 0 50 FDAA CNCCN1C(=O)CC[C@H]2CN(c3nc(-c4ccccc4)no3)CC[C@H]21 72425579 BNQMAJVZHJDOBO-JKSUJKDBSA-N 355.442 1.773 0 50 FDAA CCc1cc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n2nc(C)c(C)c2n1 72477748 SGZQYRHIGNRJDD-MRXNPFEDSA-N 357.458 1.736 0 50 FDAA O=C(CCc1cc2n(n1)CCCNC2)Nc1ccc(-n2cncn2)cc1 72432705 PYMHJZPMPGGWAC-UHFFFAOYSA-N 351.414 1.528 0 50 FDAA Cc1ccnn1CC(=O)N1CCC[C@H](c2nnc(CN3CCCC3)n2C)C1 72463754 XWIVBPVFMLASAS-INIZCTEOSA-N 371.489 1.322 0 50 FDAA O=C(O)CN1CCC(N2CCC[C@H](C(=O)NCc3ccccc3)C2)CC1 71755516 DQULFMRUXIIQFG-KRWDZBQOSA-N 359.470 1.564 0 50 FDAA O=C(O)[C@@H]1CC2(CCNCC2)CN1C(=O)c1c[nH]c2c(F)cccc2c1=O 72169126 VROVFSRTDXFAEV-AWEZNQCLSA-N 373.384 1.336 0 50 FDAA O=C(O)[C@H]1CN(C(=O)C2CCN(c3nc4ccccc4o3)CC2)CCO1 262345202 AFGRSEMKVZAJBJ-OAHLLOKOSA-N 359.382 1.356 0 50 FDAA Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCc1n[nH]c(N)n1)O2 219518531 IOPVKLDQMXJHSL-GOSISDBHSA-N 359.430 1.460 0 50 FDAA CC(C)[C@@H](O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C(C)C)ccc2C1 77378493 DYRFJSDOSKMRFZ-QGZVFWFLSA-N 368.499 1.617 0 50 FDAA Nc1c(N2CCC[C@](CO)(c3ccccc3)C2)ncnc1-n1cccn1 374583313 GZXWYIBWSBGSBC-IBGZPJMESA-N 350.426 1.775 0 50 FDAA N[C@@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)C1 237982687 CBBHGVPOXKVKNJ-LLVKDONJSA-N 350.362 1.125 0 50 FDAA C[C@@H](C(=O)N1CCc2c(ncnc2N(C)C)C1)n1c(=O)oc2ccccc21 71721638 UBNOVVNWFKKSAW-LBPRGKRZSA-N 367.409 1.596 0 50 FDAA COC1(C(=O)N(C)c2ccc(S(=O)(=O)N(C)C)cc2)CCOCC1 284967975 PMRPVBUGTSPCTF-UHFFFAOYSA-N 356.444 1.095 0 50 FDAA CC(=O)N1CCC[C@@](O)(C(=O)NCC2(c3cccc(Cl)c3)CC2)C1 286264832 LQLLPPCQOTYULO-SFHVURJKSA-N 350.846 1.861 0 50 FDAA Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NS(=O)(=O)c1ccccc1 222450032 HVFMOCPJBKFUNB-IAGOWNOFSA-N 366.439 1.944 0 50 FDAA CN(C)CCN(Cc1ccsc1)C(=O)NCCN1CCN(C)CC1 426546308 ZAADMLWGOBYEJI-UHFFFAOYSA-N 353.536 1.069 0 50 FDAA Cc1nc(CNC(=O)Cn2nccc2[C@@H]2CCCNC2)nc2c1CCCC2 426647017 HJEJEHRDJUFUQQ-OAHLLOKOSA-N 368.485 1.644 0 50 FDAA CN(C)c1ccc(CC(=O)NCCn2[nH]c(=O)c3ccccc3c2=O)cc1 222849215 KICCTHOUCOWIKP-UHFFFAOYSA-N 366.421 1.115 0 50 FDAA CCS(=O)(=O)CCN(C)C(=O)N[C@H](C)c1nc(-c2ccccn2)no1 426489471 CFDYUDTZDWPESV-LLVKDONJSA-N 367.431 1.269 0 50 FDAA COc1ccc(-c2ocnc2C(=O)N2CCO[C@H]3CCN(C)C[C@H]32)cc1 289601791 IVZOQLQOQVXFQM-CVEARBPZSA-N 357.410 1.895 0 50 FDAA O=C(O)Cn1nccc1[C@@H]1CCCN(C(=O)c2ccc3nn[nH]c3c2)C1 426635266 FZBJLZSQQKBMCS-GFCCVEGCSA-N 354.370 1.259 0 50 FDAA Cc1ccc(-c2ccno2)cc1S(=O)(=O)NCc1cc2n(n1)CCNC2 82106869 CPVZYYXNYSMMOY-UHFFFAOYSA-N 373.438 1.428 0 50 FDAA COc1cccc(-c2ncc(CNC(=O)[C@H](C)NS(C)(=O)=O)s2)c1 223453426 WXXFIKNTWNAKMS-JTQLQIEISA-N 369.468 1.373 0 50 FDAA Cc1c(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)sc2ncn(C)c(=O)c12 81701976 XAEHKNYXHGHKSA-TZMCWYRMSA-N 355.419 1.692 0 50 FDAA O=C(CN1CCCCCC1)N[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1O 426372378 UYAJSFSDRARQID-QZTJIDSGSA-N 359.470 1.254 0 50 FDAA Cn1cc(C(=O)O)c(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)n1 20614895 XAWPLLNEQCXWQM-UHFFFAOYSA-N 362.817 1.730 0 50 FDAA Cc1nnc(SCC(=O)N2CCC[C@H](c3ccn(CCO)n3)C2)s1 426500302 OWHLTXKYDJEZGS-LBPRGKRZSA-N 367.500 1.534 0 50 FDAA O=c1cc(CN2CCN(CCN3CCOCC3)CC2)[nH]c2ccc(F)cc12 91321587 FISJVMBZXHREOM-UHFFFAOYSA-N 374.460 1.117 0 50 FDAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@H](C)c1n[nH]c(CC(=O)O)n1 426599814 WXUUOONCLOYQMQ-SECBINFHSA-N 359.361 1.781 0 50 FDAA Cc1cnn(CCNC(=O)c2ccc3c(c2)nc(N2CCOCC2)n3C)c1 95387127 FGEQSJCWPFIVRW-UHFFFAOYSA-N 368.441 1.345 0 50 FDAA CN(C(=O)c1cnc(Nc2ccccc2)nc1)C1CCS(=O)(=O)CC1 91624576 JQHRHTTWFNIWEX-UHFFFAOYSA-N 360.439 1.869 0 50 FDAA Cc1cc(C)c2[nH]c(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)O)c(C)c2c1 95528019 DAYQJAMLLRONHP-ZDUSSCGKSA-N 366.439 1.711 0 50 FDAA Cc1nnnn1-c1ccc(NC(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1 96152049 SJULTWXXOLYBFT-KRWDZBQOSA-N 373.461 1.545 0 50 FDAA CCCOCC(=O)N1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 96137849 UDFGNTQLZZZGBX-UHFFFAOYSA-N 372.473 1.990 0 50 FDAA CCn1nc(C)cc1S(=O)(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccn2)C1 91951565 PNQRRRCXWUHYJK-CHWSQXEVSA-N 364.427 1.095 0 50 FDAA CCn1c(Cn2ccnc2)nnc1C1CCN(C(=O)c2cc(C)on2)CC1 91725178 RFISEPPMNUYKRZ-UHFFFAOYSA-N 369.429 1.859 0 50 FDAA COCCN1CCC[C@]2(CCN(Cc3nnc(-c4ccco4)o3)C2)C1=O 92001488 UQMOJGKVVBPKEQ-GOSISDBHSA-N 360.414 1.791 0 50 FDAA CC(=O)N1CSC[C@H]1C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)O 299747983 FRAXYGQFTITOTC-WFASDCNBSA-N 350.440 1.657 0 50 FDAA CCOC(=O)c1sc(Nc2ncc(C(=O)COC)c(O)n2)nc1C 253537577 QXZPMKVPOZHOOM-UHFFFAOYSA-N 352.372 1.697 0 50 FDAA O=C(NCCn1ccnn1)N1CCN([C@H]2CCc3ccccc3C2)CC1 534658183 BHIOKBIGVORDON-SFHVURJKSA-N 354.458 1.163 0 50 FDAA COc1ccc(CCNC(=O)C[C@@H]2NC(=O)N(Cc3ccco3)C2=O)cc1 263585408 IGFJAZFZSLANFK-INIZCTEOSA-N 371.393 1.458 0 50 FDAA biogenic COC(=O)c1c(-c2ccc(C(=O)N[C@@H]3CN4CCC3CC4)cc2)cnn1C 534587329 MPAIFWYMURJAPC-QGZVFWFLSA-N 368.437 1.698 0 50 FDAA CCN(C(=O)c1cccc(-c2nc(N(C)C)n(CC)n2)c1)[C@H]1COC[C@@H]1O 534590104 JQQHSQZRGLZBIU-HOTGVXAUSA-N 373.457 1.253 0 50 FDAA CN(Cc1ccccc1)Cc1cc(C(=O)N2CCS(=O)(=O)CC2)no1 67446604 XDGAKCVVJYDWCN-UHFFFAOYSA-N 363.439 1.177 0 50 FDAA O=C(O)C[C@H]1CN(C(=O)c2cccc3c2NCCC3)C[C@H]1c1c[nH]nn1 299766548 OYNOLVRPRHEJMN-GXTWGEPZSA-N 355.398 1.493 0 50 FDAA Cc1cc(C(=O)N(C)CCNc2cc([C@H]3CCOC3)ncn2)c(O)cn1 299788133 RUBMLAQJUXJLEC-ZDUSSCGKSA-N 357.414 1.574 0 50 FDAA COc1cc2c(cc1CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)CCC2 299772515 AJTFAGPVBUJGRZ-HNNXBMFYSA-N 352.456 1.224 0 50 FDAA COC1CCN(S(=O)(=O)N[C@@H](C)c2ccccc2-n2cccn2)CC1 656933481 AQKGFYNVYDNCNM-AWEZNQCLSA-N 364.471 1.879 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C[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)CN2C1=O 14745838 ZQHPECHHROULAP-ZHAHWJHGSA-N 370.331 1.315 0 50 FDAA CS(=O)(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1 16604798 ZTQXXQPZONIEDM-UHFFFAOYSA-N 351.255 1.640 0 50 FDAA Cc1nc([C@@H]2CCc3ncnn3C2)n(-c2nc(C(F)(F)F)nn2C)n1 1857673429 ITSPQZTWAMPKLH-MRVPVSSYSA-N 353.312 1.045 0 50 FDAA COc1ccc(-c2ocnc2C(=O)N2CCO[C@H]3C[C@H](CO)C[C@@H]32)cc1 1857674089 QBYANXOAGDLUMK-KCXAZCMYSA-N 358.394 1.962 0 50 FDAA Cn1cc(S(=O)(=O)N2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)cn1 1857675893 LFEOJUMFUBLDOZ-JQHSSLGASA-N 361.467 1.567 0 50 FDAA O=C1OCCN1CC(=O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857689569 HGWXOTJPMBUXOG-HKUYNNGSSA-N 373.453 1.503 0 50 FDAA CCN1CCC(N2C[C@@H]3[C@H](CNC(=O)c4ccoc4)[C@H]4CC[C@]3(C2)O4)CC1 1857738899 CYTYNRFZZDQBQH-QEUVDIPISA-N 373.497 1.973 0 50 FDAA O=C(O)[C@H]1CN(C(=O)CCn2cccn2)C[C@@H]1c1ccc2c(c1)OCO2 216600896 GORCHOCUWXRVIK-KGLIPLIRSA-N 357.366 1.329 0 50 FDAA CCN(Cc1cn(C)nn1)C(=O)c1cc2c(nc1O)CC(C)(C)CC2=O 329288096 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Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@@H](C)C(C)(C)CO)C2)c1C 1875397452 ARLPCYJGXMXQAN-LSDHHAIUSA-N 363.506 1.371 0 50 FDAA Cc1nc2cccc(C(=O)N3CCC[C@@H]3CNC(=O)[C@@H]3CCN(C)C3)c2[nH]1 1875315698 DSLBQGIDYQDBLJ-HUUCEWRRSA-N 369.469 1.544 0 50 FDAA CCOC(=O)c1cnc(N2CC[C@@H](C)[C@@H](NC(=O)c3ncc[nH]3)C2)nc1 1875341867 LMGUSAINIPGFDQ-YPMHNXCESA-N 358.402 1.021 0 50 FDAA CNC(=O)C[C@@H]1CN(c2nc(C)cc(N(C)c3ccccc3)n2)C[C@H]1O 1875398329 LQSQVIGPYKPMIA-GDBMZVCRSA-N 355.442 1.486 0 50 FDAA COc1csc(C(=O)NC[C@@H](C)N(C)C(=O)c2cc3ncccn3n2)c1 1875340284 UJWKXKIZDKFBLR-LLVKDONJSA-N 373.438 1.690 0 50 FDAA CNC(=O)c1cc(NCc2n[nH]cc2Br)cc(C(=O)NC)c1 1875356902 QYEXXSKKRRSVIK-UHFFFAOYSA-N 366.219 1.504 0 50 FDAA Cc1nc2nccc(N3CC4(CCC(NC(=O)[C@@H]5C[C@@H]5F)CC4)C3)n2n1 1875405116 SUEAKCKWRRMKQC-KGLIPLIRSA-N 358.421 1.656 0 50 FDAA C[C@@H]1C[C@H]1C(=O)NC12CCC(CN=c3[nH]cnc4c3COC4)(CC1)OC2 1875406327 BGZUZSUYCIBNLN-NYYJTOMGSA-N 358.442 1.195 0 50 FDAA CN(C)c1cc(NC(=O)N2CC[C@@H](C3CC3)[C@H]2c2nnc(O)n2C)ccn1 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O=C1C[C@@H]2CCCCN2CCCCN(C(=O)C2CCOCC2)CCCN1 2356161630 CIDAOJANLIOHAA-SFHVURJKSA-N 365.518 1.786 0 50 FDAA O=C(NS(=O)(=O)c1ccc(F)c2ncccc12)[C@@H]1C[C@H]2CC[C@H]1O2 225429565 PNPXNISIOHJPEX-IRUJWGPZSA-N 350.371 1.746 0 50 FDAA Cc1ccccc1[C@H](O)CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1 112397327 NGUXCOUKKVYXNA-GOSISDBHSA-N 374.462 1.998 0 50 FDAA O=C(NCCO)c1cc2n(n1)CCCN(c1ncnc3ccsc13)C2 65396547 FCGRJEPEYNMHOH-UHFFFAOYSA-N 358.427 1.020 0 50 FDAA CC[C@@]1(C2CCN(c3ccc(-c4nc(C)no4)cn3)CC2)NC(=O)NC1=O 67967886 YWOHIONICZYQHT-SFHVURJKSA-N 370.413 1.645 0 50 FDAA O=C(NC[C@@H]1COCCO1)c1cc(COc2cccc3cccnc23)on1 67872626 UIORAKWMFHIQGH-OAHLLOKOSA-N 369.377 1.947 0 50 FDAA CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cccc(NCc2ccccn2)c1C 67559988 ZWPGYDHEJOEUSQ-KSSFIOAISA-N 367.453 1.290 0 50 FDAA CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1 25904537 CNYNYMJFRXPCRM-CYBMUJFWSA-N 365.455 1.424 0 50 FDAA COC(=O)c1cc(NC(=O)C(=O)N2C[C@@H](CO)C[C@@H](C)C2)cc2[nH]ccc12 421296955 QZDZOGQAONGFQN-NEPJUHHUSA-N 373.409 1.370 0 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357.414 1.544 0 50 FDAA Cc1nc(N)sc1C(=O)N1CCn2nc([C@H](O)c3ccccc3)cc2C1 222550071 CQZYBOUPZCQNRI-OAHLLOKOSA-N 369.450 1.968 0 50 FDAA CCn1ccc(C(=O)N2CCN(Cc3ccc(C)cc3)C(=O)C2)cc1=O 82121147 DOXMFGPIBXUPID-UHFFFAOYSA-N 353.422 1.661 0 50 FDAA COCCN1CCC[C@]2(CCN(c3ccc(CS(C)(=O)=O)cn3)C2)C1 426490445 HLGZSSSCVYMINE-SFHVURJKSA-N 367.515 1.565 0 50 FDAA Cc1cccnc1NCCNC(=O)Cn1nc(C)c2ccccc2c1=O 91321832 NMQIEYWXIITREC-UHFFFAOYSA-N 351.410 1.637 0 50 FDAA COc1ccccc1[C@@H](NC(=O)[C@@H]1CC12CCNCC2)c1noc(C)n1 237224445 JPBBIZTZVRWCGZ-GOEBONIOSA-N 356.426 1.982 0 50 FDAA O=C1COc2cc(C(=O)NCc3noc(Cc4cccs4)n3)ccc2N1 97713639 BNXJNAOQIPQZQY-UHFFFAOYSA-N 370.390 1.983 0 50 FDAA Cc1nc(N(C)C)ncc1C(=O)N1CCCC[C@@H]1CCN1CCCC1=O 91621101 NYHRTSJNGLUQCH-OAHLLOKOSA-N 359.474 1.858 0 50 FDAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(CCOCc1ccccc1)C2 91819377 PRFQRXZMBSOQKU-QZTJIDSGSA-N 367.515 1.406 0 50 FDAA COc1cc(CNC(=O)N2CCN(CC3CC3)[C@H](CCO)C2)ccc1O 426399435 QNSRPAJAXRIARU-MRXNPFEDSA-N 363.458 1.389 0 50 FDAA 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CC(C)C[C@H]1NC(=O)[C@H]2CN(C(=O)NC3CCCCC3)CCN2C1=O 14751551 KAMGIFUPDPAGCV-HUUCEWRRSA-N 350.463 1.086 0 50 FDAA CSc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N1CCOCC1 16625792 VXVDKVAUPOZGAO-UHFFFAOYSA-N 372.512 1.958 0 50 FDAA Cn1cc(Br)c(CN[C@H]2C[C@@H](Cn3cccn3)C[C@@H]2O)n1 1857530617 RIHBJALSUNRPMQ-OSMZGAPFSA-N 354.252 1.308 0 50 FDAA Cn1c(=O)n(C)c2cc(S(=O)(=O)N[C@H]3CCCCCC[C@@H]3O)ccc21 1857676999 VCAJBSATRIMNFL-BBRMVZONSA-N 367.471 1.239 0 50 FDAA Cc1cccc2oc(CNS(=O)(=O)CC[C@@H]3CCS(=O)(=O)C3)nc12 1857695978 GUQWEHDRQSTLRG-LBPRGKRZSA-N 372.468 1.380 0 50 FDAA Cc1nsnc1C(=O)NC[C@H]1[C@H]2CN(c3cnccn3)C[C@]23CC[C@H]1O3 1857718002 KBESYBUOWJGCGZ-SFDCBXKLSA-N 372.454 1.050 0 50 FDAA COc1cccc(C(=O)N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)c1OC 1875245784 QZGMZQLVFZOVNP-QCBUCWTNSA-N 360.454 1.885 0 50 FDAA CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc(Cl)c3cccnc23)C1 116831245 BNERFUMEJPLRHX-JTQLQIEISA-N 353.831 1.652 0 50 FDAA COc1ccccc1-n1cc(S(=O)(=O)N(C)C2CCNCC2)cn1 237109751 JFAYGVRNQSUIGN-UHFFFAOYSA-N 350.444 1.253 0 50 FDAA Cc1cc(=O)[nH]c(-c2ccc(CN3CCN(c4ncccn4)CC3)cc2)n1 23541631 KYQSBUPCEWSXJP-UHFFFAOYSA-N 362.437 1.858 0 50 FDAA O=C(NC[C@@H]1CCC[C@@]12NC(=O)NC2=O)Nc1ccc2oc(=O)ccc2c1 266616847 KBRGQEAQIFGOAO-BBATYDOGSA-N 370.365 1.293 0 50 FDAA Cn1nc(C(=O)N[C@H]2CCc3nnnn3CC2)cc1-c1ccc(F)cc1 823153935 PCZDFKHYCHACDO-ZDUSSCGKSA-N 355.377 1.348 0 50 FDAA Cn1nc(Br)cc1S(=O)(=O)NCc1cccc2c1OCC2 1875272723 DBKNPLMHJHPQRV-UHFFFAOYSA-N 372.244 1.596 0 50 FDAA Cc1ccc(CCCN[C@@H]2CCN(c3nc(C(N)=O)nc(C)c3C)C2)cn1 1875399698 HPXGPSZKOUUIHU-QGZVFWFLSA-N 368.485 1.697 0 50 FDAA Cc1ocnc1CN1CCN(C(=O)[C@H]2[C@H]3CC[C@@]2(c2ccnn2C)C3)CC1 1875395727 JYPNJNDSNJWQBX-CVAIRZPRSA-N 369.469 1.729 0 50 FDAA CC(C)OC(C)(C)C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)c1ccccc1 1875344218 HJPYWRDRARPQRA-HOCLYGCPSA-N 350.459 1.587 0 50 FDAA COc1ccc(CC[C@H](C)NC[C@H]2C[C@@H](O)CN2c2cc(N)ncn2)cc1 1875397790 NXPFTJZXMLSONT-USXIJHARSA-N 371.485 1.618 0 50 FDAA CO[C@@H]1CN(c2cc[nH]c(=N)n2)C[C@@H]1N=c1[nH]ccc2cc(F)ccc12 1875400241 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CNS(=O)(=O)c1cc(NC(=O)c2cc(O)nc(C(C)C)c2)ccc1O 170617786 HJFBJIZADYPJER-UHFFFAOYSA-N 365.411 1.777 0 50 FDAA O=C(Cn1nc2ccccc2n1)NCC1CCN(C[C@H]2CCCOC2)CC1 1506399694 PWGUWQFMZBJEAR-QGZVFWFLSA-N 371.485 1.686 0 50 FDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CCc1ccc(Cl)cc1 1704339334 QWJKSQQVERJSDG-DZGCQCFKSA-N 374.890 1.295 0 50 FDAA CO[C@H]1CN(C(=O)c2ccccc2-n2cnnc2)C[C@H]1Cc1cc(C)no1 1704347916 IBGAWMGQUKIOJF-KDOFPFPSSA-N 367.409 1.893 0 50 FDAA CO[C@H]1CN(C(=O)CCN2CCCCCC2=O)C[C@H]1Cc1cc(C)no1 1704351354 WVBANSSFPVFBHX-WBVHZDCISA-N 363.458 1.792 0 50 FDAA C[C@@H](Cc1cnccn1)NC(=O)c1cc(Cn2cnc3ccccc32)[nH]n1 12445772 YICHYOMDZQITSJ-ZDUSSCGKSA-N 361.409 1.959 0 50 FDAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)CSC)C2)cc1 12507524 WHTRUCCVZHTACU-CYBMUJFWSA-N 372.512 1.575 0 50 FDAA O=C(Nc1ccnn1C1CCN(CCCn2cccn2)CC1)[C@@H]1CCOC1 12762666 UQZLXDDATUMKOB-MRXNPFEDSA-N 372.473 1.782 0 50 FDAA Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCC(C)(C)CN(C)C 12836424 RWFHTEDXCGTVIO-SFHVURJKSA-N 374.529 1.390 0 50 FDAA COc1ccc(C(=O)NCc2cccnc2N2CCN(C)CC2)c(OC)n1 14952001 BRDLJHWBROQFOW-UHFFFAOYSA-N 371.441 1.176 0 50 FDAA CCOC(=O)C1CCN(C(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1 16626058 ZUQUJYQQXXQSBR-GJZGRUSLSA-N 362.426 1.129 0 50 FDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)NCc1ccccc1Br 169294325 ZFLPDMLARUAPFU-FVCCEPFGSA-N 352.184 1.720 0 50 FDAA COCc1nnc(N2C[C@H](C(=O)N(C)Cc3ccoc3)CC2=O)s1 1857670916 HBZWJNFOKQEBKW-LLVKDONJSA-N 350.400 1.289 0 50 FDAA N[C@H]1C[C@@H](O)CN(Cc2ccccc2CS(=O)(=O)c2ccccc2)C1 1857677657 LITLTKOJFZFCBV-ZWKOTPCHSA-N 360.479 1.554 0 50 FDAA COc1ccc(-n2cccn2)c(CN2CC[C@@]34OCCN3C(=O)C[C@@H]24)c1 1857706099 KBXLKWPIAFWNMS-MJGOQNOKSA-N 354.410 1.414 0 50 FDAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cc(-c3ccncc3)n[nH]1)C2 247841200 KZIGYZUEFKNKOP-CABCVRRESA-N 369.425 1.181 0 50 FDAA Cc1cccc(-c2noc(CCC(=O)N3CC[C@H](O)[C@@H](C(=O)O)C3)n2)c1 1704302295 HQNLBGHTCPPCCR-KBPBESRZSA-N 359.382 1.272 0 50 FDAA COc1ccc(C)cc1S(=O)(=O)N1CC[C@@]2(CO)CCCN(C)[C@@H]2C1 1704344739 XZXKORRSQZRZHK-QZTJIDSGSA-N 368.499 1.471 0 50 FDAA C[C@@H]1C[C@H](C(=O)NS(=O)(=O)c2cnn(-c3ccccc3F)c2)[C@@H](C)O1 870214082 HIWQNMAPQBNBNY-WZRBSPASSA-N 367.402 1.630 0 50 FDAA CN(C(=O)Cc1csnn1)[C@@H]1CCN(C(=O)c2ccc3c[nH]nc3c2)C1 1875360374 GXSVMYCMIZLJMH-CQSZACIVSA-N 370.438 1.330 0 50 FDAA Cc1cc(N2CCNC2=O)ccc1NC(=O)c1n[nH]cc1C1CCNCC1 1875356936 SLBKVJPPUWXRCY-UHFFFAOYSA-N 368.441 1.967 0 50 FDAA C[C@@H]1C[C@H](NC(=O)C2=CCOCC2)CN1C(=O)c1ccc2nc(O)[nH]c2c1 1875371090 ONQFYEAJYHNLSK-RISCZKNCSA-N 370.409 1.334 0 50 FDAA O=C(NC[C@H]1CN2CC3CC2(CO1)C3)c1ccc2ncn(C3CC3)c2c1 1875318496 SHIFKJSERQZBGR-FOCKTWCOSA-N 352.438 1.964 0 50 FDAA COc1ccccc1C(=O)N(C)C[C@@H](C)NC(=O)[C@@H](CC(C)C)C(N)=O 1875344062 CUSDDUWRQWZLKB-HIFRSBDPSA-N 363.458 1.420 0 50 FDAA CCN(C)c1cc(N2C[C@H](O)C[C@@H]2CN[C@@H](C)c2ccnc(O)c2)ncn1 1875400010 OVQVBUGXXXMZPF-NUEKZKHPSA-N 372.473 1.324 0 50 FDAA Cn1cnnc1CN1C[C@H](NC(=O)c2ccoc2)CC2(CCOCC2)C1 1875404940 DHOHLIWEWTWOSW-OAHLLOKOSA-N 359.430 1.209 0 50 FDAA CCN1CCO[C@@H](CNC(=O)CCc2ccccn2)[C@@H]1c1nccn1C 886027172 MCXLETYZVWRTAA-FUHWJXTLSA-N 357.458 1.326 0 50 FDAA Cc1nc2c(C(=O)NCCc3noc([C@H]4CCCO4)n3)ccnc2n1C 2100557164 OHFCEWVRNIVYHT-GFCCVEGCSA-N 356.386 1.484 0 50 FDAA C[C@@H]1CN(C(=O)NCCCN2CCS(=O)(=O)CC2)CCC(F)(F)C1 2325780550 SYXDJIPFPYWKSR-ZDUSSCGKSA-N 367.462 1.184 0 50 FDAA O=C(N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O)c1cc2ncccc2[nH]1 2325785735 LLINYEMLQWBMRB-DRZCJDIDSA-N 359.817 1.982 0 50 FDAA Cc1c(C(=O)N2CCCNC[C@H]2c2ccccc2)nnn1-c1ccn(C)n1 2325795283 WNXSZCNWABHKOJ-INIZCTEOSA-N 365.441 1.486 0 50 FDAA Cn1nc2c(c1O)CCN(C(=O)[C@@H]1C[C@@H]1c1nc(C(F)(F)F)no1)C2 2325802674 STSSLIRVLKZZMA-JGVFFNPUSA-N 357.292 1.216 0 50 FDAA C=CC(=O)Nc1cccc(CC(=O)NCc2cc(=O)n3ccccc3n2)c1 2325894313 TYLLUHOJJNQHMF-UHFFFAOYSA-N 362.389 1.678 0 50 FDAA O=C1CC[C@H](N2Cc3c(NC(=O)c4cccs4)cccc3C2=O)C(=O)N1 1857798011 JGAINMALCRVKQE-ZDUSSCGKSA-N 369.402 1.761 0 50 FDAA CCc1ccc(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)cc1 622426 WUSRBVLTFRWILZ-UHFFFAOYSA-N 360.801 1.532 0 50 FDAA CN1CCc2c(n(C[C@H](O)CNC[C@H]3CCCO3)c3ccccc23)C1=O 803231 QFXPZVNWRKDXDF-HUUCEWRRSA-N 357.454 1.399 0 50 FDAA biogenic CN(Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)c1n[nH]c(-n2cnnc2)n1 2356150062 JVTXGPNVTDJGKQ-UHFFFAOYSA-N 367.348 1.187 0 50 FDAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN(C2CCOCC2)CC1 2356152639 SQLSCIQGZGHFFY-UHFFFAOYSA-N 374.485 1.478 0 50 FDAA COC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1nc(-c3ccc(F)cc3)[nH]c1C)C2 2356164056 CLHXZHIGJOLDIH-DJJJIMSYSA-N 373.384 1.786 0 50 FDAA COCCCNC(=S)Nc1ccc(N2CCOCC2)c2nonc12 2770923 WKHRCHUIMOZNFH-UHFFFAOYSA-N 351.432 1.382 0 50 FDAA CC1(C)Cc2c(sc(NC(=O)C(=O)N3CCCC3)c2C(=O)O)CO1 6662823 ZSIRFZHIIDVGCG-UHFFFAOYSA-N 352.412 1.859 0 50 FDAA CSc1nnc(CC2CCN(C(=O)[C@H](N)Cc3ccccc3)CC2)n1C 55254259 AEAAXDAAEXYAPK-MRXNPFEDSA-N 373.526 1.888 0 50 FDAA CN(C)c1noc(CNC(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)n1 460632806 WBVVEXUVKAVSOQ-GFCCVEGCSA-N 358.402 1.020 0 50 FDAA CN(C(=O)C[C@H]1CCS(=O)(=O)C1)C1CCN(Cc2ccccc2)CC1 113094214 LNKHMETWGJSIOK-QGZVFWFLSA-N 364.511 1.934 0 50 FDAA CCOC(=O)c1[nH]c(=O)[nH]c1CN(Cc1ccccn1)C[C@H]1CCCO1 55153971 XQTKTLBQMUABAI-CQSZACIVSA-N 360.414 1.456 0 50 FDAA O=C(N[C@H]1CCSC1=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 59745900 XPJZCTADXMIAQO-JSGCOSHPSA-N 350.415 1.826 0 50 FDAA COCCN1CC[C@@H](C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)C1 63857034 BAJVBZWNUQWJEG-MRXNPFEDSA-N 358.442 1.972 0 50 FDAA COc1ccc(NC(=O)CC(=O)N2CCN(C)C3(CCN(C)CC3)C2)cc1 67855338 LXPFFSDEMKVDKC-UHFFFAOYSA-N 374.485 1.262 0 50 FDAA Cc1c(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)c(=O)n(-c2ccccc2)n1C 20293770 OUVUHPCPFSJDEU-ZIAGYGMSSA-N 358.442 1.532 0 50 FDAA COc1ccc(CCC(=O)N2C[C@@H](N)C[C@H]2C(=O)NC(C)C)cc1OC 67458409 WYDKUQCBPRLCMB-GJZGRUSLSA-N 363.458 1.089 0 50 FDAA O=C1O[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]2N1CCCN1CCOCC1 67774322 YLARJBSBWRYFAJ-ZWKOTPCHSA-N 363.433 1.553 0 50 FDAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)c1ccc(-n2cnnn2)cc1 67695831 UTCFPSJIFLMVRG-UHFFFAOYSA-N 351.414 1.927 0 50 FDAA Cc1cc(N2CCN(C(=O)c3ccc(C(N)=O)nc3)CC2)nc(C(C)C)n1 122447169 BVHOHRQDYPRBHR-UHFFFAOYSA-N 368.441 1.365 0 50 FDAA CC(C)NC(=O)CCCC(=O)NC[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[C@H]1O 252549220 QWOGJAGDYSSGPR-SOUVJXGZSA-N 370.490 1.526 0 50 FDAA O=S1(=O)CC[C@H](CNc2nc(-c3ccccc3)nc3c2CCNC3)C1 67726671 XYKJLJNYTKYLDM-CYBMUJFWSA-N 358.467 1.636 0 50 FDAA Cc1ccc2nc(SCC(=O)N3CC[C@@]4(CC(=O)NC4=O)C3)[nH]c2c1 77319240 LYGVHNSZVOIPCB-QGZVFWFLSA-N 358.423 1.229 0 50 FDAA Cc1nc2c(c(NCc3cccnc3)n1)CCN([C@@H]1CCCNC1)CC2 72478705 ATOXBCFRTXZLLF-QGZVFWFLSA-N 352.486 1.945 0 50 FDAA Cc1cc(N2CCN(Cc3ccc4c(c3)OCO4)C(=O)C2)nc(N(C)C)n1 32573428 NVCCYKRDPJOXKP-UHFFFAOYSA-N 369.425 1.429 0 50 FDAA O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)N1CCN(C(=O)c2ccccc2)CC1 181987742 YEMCNONDLVGOTA-HNNXBMFYSA-N 370.453 1.165 0 50 FDAA CC(C)n1ncc2cc(/C=C/C(=O)N3CCO[C@@H](C4CC4)C3)c(=O)[nH]c21 364486991 PSTUJRPMVZQSFU-SQRWCISFSA-N 356.426 1.956 0 50 FDAA COc1ccccc1-n1nc(-c2ccco2)n(CC(=O)NC2CC2)c1=O 77321220 GWDYAHDUHMJRJV-UHFFFAOYSA-N 354.366 1.581 0 50 FDAA Cc1nn(CC(=O)N(C)Cc2noc(C(C)C)n2)c(=O)c2ccccc12 77300646 ZXWHEEMOKBKILG-UHFFFAOYSA-N 355.398 1.870 0 50 FDAA CC1(C)CN(C2(CNC(=O)[C@@]3(O)CCSC3)CCCCC2)CCO1 367242275 YKTZOGWZOXYPDB-GOSISDBHSA-N 356.532 1.784 0 50 FDAA CCCCN1C[C@]2(CCCN(C(=O)c3ccc(=O)n(C)n3)C2)CCC1=O 77472454 SUBYHFAAVAPEFU-IBGZPJMESA-N 360.458 1.425 0 50 FDAA CN(C)C[C@@H]1CCN(C(=O)NCC2(N3CCOCC3)CCCCC2)C1 129293995 LDMVKOOVHPOZMD-KRWDZBQOSA-N 352.523 1.615 0 50 FDAA Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)[C@@H](C)N(C)CC(F)(F)F 330767783 WYZZHSHGTAHXEE-CHWSQXEVSA-N 362.396 1.819 0 50 FDAA Cc1cc2c(N3CCn4nc([C@H](O)CN(C)C)cc4C3)ncnc2s1 219313783 CQNHAHBJRYACNY-OAHLLOKOSA-N 358.471 1.811 0 50 FDAA C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CCNC[C@@H]1c1nccn1C 261724211 LWTGWJGPEMMZBX-GOEBONIOSA-N 361.490 1.368 0 50 FDAA Cc1c(O)cccc1C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1 77355512 PZQQVANQMPJPPH-UHFFFAOYSA-N 356.426 1.441 0 50 FDAA Cc1ccc2oc(=O)n(CCC(=O)N3CC[C@@]4(CN(C)C(=O)O4)C3)c2c1 72131941 CBCKMUHSQHMNMX-GOSISDBHSA-N 359.382 1.346 0 50 FDAA CCNC(=O)CN1CCN(C(=O)c2cnc(C)nc2-c2ccccc2)CC1 82098364 ZHMFOQDXRQKMFW-UHFFFAOYSA-N 367.453 1.346 0 50 FDAA Cc1nn(CC(=O)NCCc2nc(-c3cccnc3)n[nH]2)c(C)c1Cl 426370842 UXAWFRZSNMLYMC-UHFFFAOYSA-N 359.821 1.692 0 50 FDAA O=C(CCCc1cn[nH]c1)N[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1O 426445443 FBVJHRKOPCNQHC-IAGOWNOFSA-N 356.426 1.124 0 50 FDAA CNC(=O)Cc1ccc(-c2cccc(C(=O)N3CCN(C)C(=O)C3)c2)cc1 426533715 DRIDTOWBYKIIAB-UHFFFAOYSA-N 365.433 1.556 0 50 FDAA CCN=c1cc[nH]c(-c2ccc(C(=O)NCCN3CCCOC3=O)cc2)n1 426465317 VLUNGKGLTLWBLL-UHFFFAOYSA-N 369.425 1.569 0 50 FDAA Cc1cnc(C(=O)N2CC(=O)N(c3ccc4cn[nH]c4c3)C[C@@H]2C)cn1 82098679 BUCWYJJGKRNYPM-LBPRGKRZSA-N 350.382 1.539 0 50 FDAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)[C@H]2CCCN(C)C2)C3)cn1 222267649 NDNNWBHWKBKYGJ-AWEZNQCLSA-N 355.442 1.707 0 50 FDAA CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N(C)Cc1nc2c(s1)CCCC2 223539448 DSIIGTFPQZPOGJ-AWEZNQCLSA-N 361.471 1.451 0 50 FDAA Cc1ccccc1-n1c(CN)nnc1SCC[C@H]1CCS(=O)(=O)C1 426734581 XGGOQFLIPQCPSI-ZDUSSCGKSA-N 366.512 1.951 0 50 FDAA COc1ccccc1-c1ncc(CNC(=O)N2CC[C@@](O)(CO)C2)s1 426424415 WKYLKBHXPVUFSX-KRWDZBQOSA-N 363.439 1.457 0 50 FDAA C[C@H]1CN(C2CCN(S(=O)(=O)c3cc(Cl)cnc3N)CC2)CCO1 178638709 SVXONALRYTUDEJ-NSHDSACASA-N 374.894 1.191 0 50 FDAA NCCOc1cccc(C(=O)N2CCc3nc[nH]c3[C@H]2c2cccnc2)c1 426503766 YXVMHFKKSDSYRV-LJQANCHMSA-N 363.421 1.930 0 50 FDAA Cc1nnc(SCC(=O)N2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)o1 95499887 CNFUOTUWTNEKPJ-CXAGYDPISA-N 361.423 1.467 0 50 FDAA CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)CO)CN1Cc1ccc(F)cc1C 95517338 ICGFHKCHOKDPGG-IRXDYDNUSA-N 365.449 1.054 0 50 FDAA O=C(NCc1nnc2ccccn12)N1CCN(c2ccncc2Cl)CC1 179060690 DACZPSRRDGJUHK-UHFFFAOYSA-N 371.832 1.810 0 50 FDAA CSc1ncccc1C(=O)N1C[C@H]2CC[C@@H]1CN(CC(=O)N(C)C)C2 95364566 XOKUMQOASHUEGO-UONOGXRCSA-N 362.499 1.428 0 50 FDAA Cc1ccc2nc(CN3CC[C@@]4(CCCN(CCO)C4=O)C3)[nH]c2c1C 91435066 XFLMIWYOXZOTPF-FQEVSTJZSA-N 356.470 1.987 0 50 FDAA O=C(Cn1nnc(-c2ccccc2)n1)N1CCC(CCn2cccn2)CC1 91390706 WWBJSJDOQPLSES-UHFFFAOYSA-N 365.441 1.866 0 50 FDAA CN1C(=O)[C@@H](CC(=O)N2CCC(Oc3ccccc3F)CC2)N(C)C1=O 91951176 CROCMHIPJUCTII-CQSZACIVSA-N 363.389 1.478 0 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0 50 FDAA O=C(O)c1ccc(N2CCC3(CC2)CN(C(=O)c2ccco2)CCO3)nn1 952965137 QKDHCWWUDZCMRB-UHFFFAOYSA-N 372.381 1.279 0 50 FDAA O=C(N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N1CCCC1)c1cccc(Cn2cccn2)c1 1565531275 FVVQARMSRRNEMF-YRPNKDGESA-N 366.465 1.913 0 50 FDAA Cc1ccnn1CC(=O)N[C@H]1CCOC[C@@H]1Oc1ccc(C(=O)O)cc1 1565527141 BZIQORJXEDLROY-HOTGVXAUSA-N 359.382 1.242 0 50 FDAA COc1cccc(CO[C@@H](C)C(=O)N2CCCN([C@@H](C)CO)CC2)c1 221932409 JJZSFMWOGRFWCI-HOTGVXAUSA-N 350.459 1.515 0 50 FDAA O=C1C[C@]2(CCN(C(=O)CCCc3nc(-c4cccs4)no3)C2)CN1 278929805 JRESZTHVXRDGBI-QGZVFWFLSA-N 360.439 1.859 0 50 FDAA CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)Cc1ccc2[nH]ncc2c1 280076250 ZMZJTTCLKHKNFZ-HNNXBMFYSA-N 364.471 1.426 0 50 FDAA Cn1c(CN2CCN(c3ccccc3O)CC2)nc2ccccc2c1=O 194735164 BDFCTNAWJXPPJH-UHFFFAOYSA-N 350.422 1.961 0 50 FDAA Cc1noc(-c2ccc(S(=O)(=O)N3CCN(C)[C@H](CCO)C3)o2)c1C 1506418898 WMFKQIXVZXKLKI-CYBMUJFWSA-N 369.443 1.239 0 50 FDAA CN1CCC(n2nccc2NC(=O)c2ccc(-c3nnn(C)n3)cc2)CC1 1506409153 VMRRCCMKIASOSU-UHFFFAOYSA-N 366.429 1.593 0 50 FDAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(c1nccc(N3CCC(O)CC3)n1)C2 211910790 GKNSZRLQOISHCN-CABCVRRESA-N 359.474 1.275 0 50 FDAA Nn1cnn2c(SCC(=O)Nc3ccc(Br)cc3)nnc12 5059182 CVTRHKUDEXJBBZ-UHFFFAOYSA-N 368.220 1.133 0 50 FDAA C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N(c1ccccc1)S(C)(=O)=O 5060730 LCYGMPONDQQDJP-ZDUSSCGKSA-N 373.434 1.826 0 50 FDAA CCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(CCOCC)c(=O)n2C 12516085 WSJMNWOEDWIBPI-UHFFFAOYSA-N 374.445 1.146 0 50 FDAA CC[C@H](C)[C@@H]1NC(=O)[C@H]2CN(C(=O)Oc3ccc(C)cc3)CCN2C1=O 14745164 BUHITGYVUZQHBQ-IMJJTQAJSA-N 359.426 1.551 0 50 FDAA Cc1ccn2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)nc2c1 15514067 JGBNPMOKWDTJNS-UHFFFAOYSA-N 358.423 1.263 0 50 FDAA Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)c3ccco3)CC2)n1 17012624 IYOZKXBQSRYVIP-UHFFFAOYSA-N 357.414 1.177 0 50 FDAA CCN(Cc1nccn1C)C(=O)c1ccc(N2CCN3CCC[C@H]3C2)nc1 209720495 MRRZTBRDDHJMGS-KRWDZBQOSA-N 368.485 1.762 0 50 FDAA CN1CCn2nc(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)cc2C1=O 1857673022 LVVNMWFGNIRFFL-INIZCTEOSA-N 367.453 1.363 0 50 FDAA 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0 50 FDAA Cc1cccnc1C(=O)N[C@@H]1CCC[C@@H]1Cn1cc(C2(O)CCC2)nn1 952889374 ARRJBRMJBHYTIY-HUUCEWRRSA-N 355.442 1.952 0 50 FDAA N=c1[nH]cc(CNC[C@H](CCO)c2ccc(C(F)(F)F)cc2)c(=N)[nH]1 1875342124 YTTQVPYYWZJIKF-NSHDSACASA-N 355.364 1.576 0 50 FDAA NC1CCN(c2ccccc2C(=O)N=c2[nH][nH]c3cc(O)ccc23)CC1 1875337387 TULPKHAGFHPWEG-UHFFFAOYSA-N 351.410 1.870 0 50 FDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NC3CCC(OC)CC3)C2)n1 1875397860 QSFSQOGWCXDBIW-HWOWSKLDSA-N 361.490 1.579 0 50 FDAA Cc1nn(C)cc1[C@H]1CCCN1C(=O)c1ccn2c1CS(=O)(=O)CC2 1875310076 BVRHHEYMMBUUJZ-OAHLLOKOSA-N 362.455 1.436 0 50 FDAA COc1ccc(F)c(C(=O)N[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)c1OC 1875400783 MEPQDVRISPZTLI-IACUBPJLSA-N 363.389 1.609 0 50 FDAA CN1C(=O)CC[C@H](C(=O)Nc2ccc(C3CC3)nn2)[C@H]1c1nccn1C 886074633 IYXSEQKRVDNQMJ-LRDDRELGSA-N 354.414 1.636 0 50 FDAA O=C(N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)c1ccc(Cc2nc[nH]n2)cc1 888076162 BRQWYQHWZFIFHP-ZACQAIPSSA-N 355.442 1.113 0 50 FDAA COc1cc(C)c2cc(C(=O)OC[C@@H]3NC(=O)[C@@H]4CCCN4C3=O)oc2c1 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CC(C)c1nc(CCNC(=O)CCN(C)[C@@H]2CCS(=O)(=O)C2)cs1 299793912 HQQOQPKYJRFFAT-CQSZACIVSA-N 373.544 1.434 0 50 FDAA CN(C)C1=NC2(CCN(C(=O)CCCOc3ccccc3)CC2)C(=O)N1 299756956 FEBGQLZAGHYCJO-UHFFFAOYSA-N 358.442 1.254 0 50 FDAA Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H]2[C@H](C1)OCc1cnnn12 299775391 BYSKTAAYSOIQGK-KBPBESRZSA-N 352.391 1.260 0 50 FDAA COC(=O)c1cc(NC(=O)NC[C@H]2CCCOC2)cc(C(=O)OC)c1 299776937 GANWQGQHKIPELT-LLVKDONJSA-N 350.371 1.808 0 50 FDAA CN(Cc1ccccc1CN1CCCC1)C(=O)NC1CCN(CCO)CC1 584885204 HNUQUZLMPHFMBN-UHFFFAOYSA-N 374.529 1.881 0 50 FDAA CN(C)c1ncc(/C=C/C(=O)N2CCC(O)(CN3CCCC3)CC2)cn1 952986328 DLAKWYKWOCCIEV-AATRIKPKSA-N 359.474 1.005 0 50 FDAA CCn1ccc(CN2CCCN(S(=O)(=O)N3CCCCC3)CC2)n1 952969564 JCTDNPBQNLEEKC-UHFFFAOYSA-N 355.508 1.141 0 50 FDAA CC(C)[C@H]1CN(C(=O)c2ccnc(-n3cnnc3)c2)C[C@@H]1NC(=O)N(C)C 1565517111 LULKCAHATZQDEM-CABCVRRESA-N 371.445 1.030 0 50 FDAA COc1ccc(CN2C[C@H](C(=O)NCc3ccc(C(=O)O)o3)CC2=O)cc1 268900763 DSSVIQINRZFRTP-CYBMUJFWSA-N 372.377 1.651 0 50 FDAA CCOc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1C(=O)O 273828757 WBKBASPVAGLQGA-OLZOCXBDSA-N 368.455 1.641 0 50 FDAA CC(C)[C@H](C(=O)N1CCN(c2cncc3ncnn23)CC1)N1CCCCC1 275840889 XOEBJCHNDZCGAS-GOSISDBHSA-N 371.489 1.283 0 50 FDAA C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)N[C@@H]1CCOc2ccc(F)cc21 189103860 MGSQIPPYWLRLSB-JTNHKYCSSA-N 356.419 1.866 0 50 FDAA Cc1noc(-c2ccc(S(=O)(=O)NC3CCS(=O)(=O)CC3)o2)c1C 1506414450 ZKVAMKXBIIIZRG-UHFFFAOYSA-N 374.440 1.407 0 50 FDAA Cc1nc(CC(=O)N2CC[C@H]3[C@H](CCC(=O)N3CCCO)C2)cs1 215249877 MDAIKAOAKWBJFU-HIFRSBDPSA-N 351.472 1.216 0 50 FDAA CCc1nccc(CN2CCCN(C(=O)[C@@H](CC)n3cccn3)CC2)n1 1800410848 CBWCIWQWUWMFJD-QGZVFWFLSA-N 356.474 1.921 0 50 FDAA Cc1ccccc1CC(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC(=O)N(C)C 225384321 KXHXJHPVGMUIRD-SJORKVTESA-N 357.454 1.075 0 50 FDAA COc1cc2c(cc1OC)C1(CCN(C(=O)[C@@H]3CNC(=O)C3)CC1)OCC2 1704336247 HZFVQQQYKONUEI-AWEZNQCLSA-N 374.437 1.230 0 50 FDAA CSc1nc(N)cc(N2CCCN(C(=O)C[C@H]3CCCOC3)CC2)n1 1772815050 HQXWTHALEITXKZ-CYBMUJFWSA-N 365.503 1.636 0 50 FDAA O=C(Cn1cccn1)N1CCCN(C(=O)NCCc2ccccc2)CC1 1775984568 ZEBWFAFOHUSDEH-UHFFFAOYSA-N 355.442 1.370 0 50 FDAA CCCCc1ccc(S(=O)(=O)N2CC[C@]3(CNC(=O)CO3)C2)cc1 1772813630 LABUQQSUWMQAOB-KRWDZBQOSA-N 352.456 1.309 0 50 FDAA O=C(c1ccccc1-n1cncn1)N1CCCN(Cc2cc[nH]n2)CC1 1775984342 PMEASLMHXYUMGF-UHFFFAOYSA-N 351.414 1.339 0 50 FDAA CSc1ncc(CN2CC[C@@H](N(C)CCc3ccccn3)[C@H](O)C2)cn1 11937107 XZNYNZBYRUYTHP-QZTJIDSGSA-N 373.526 1.703 0 50 FDAA O=C(NC1=NCCS1)c1ccc(Cl)c(N2C(=O)CCS2(=O)=O)c1 12003347 OXVWZMFWEDUXAH-UHFFFAOYSA-N 373.843 1.239 0 50 FDAA Cc1n[nH]c(C)c1S(=O)(=O)N[C@H]1CCCc2nc(N(C)C)ncc21 12050150 LVGKEJGJAHSELX-ZDUSSCGKSA-N 350.448 1.238 0 50 FDAA O=C(CC[C@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1)N1CCOCC1 12300639 GUBAFGUQNBNINN-OAHLLOKOSA-N 374.437 1.907 0 50 FDAA COC(=O)c1ccccc1NC(=O)CSc1nc2c(=O)[nH]cnc2n1C 12427863 ILCNEOMCPLRRAF-UHFFFAOYSA-N 373.394 1.174 0 50 FDAA biogenic,in-vitro Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCCN1CCCCC1 13668439 LXMMDODPDTWLMQ-UHFFFAOYSA-N 353.488 1.972 0 50 FDAA CN(C)CCCN1C(=O)N(CCc2ccccc2)C2(CCN(C)CC2)C1=O 14732706 AGKOPWLJYVMDML-UHFFFAOYSA-N 372.513 1.909 0 50 FDAA COCCNC(=O)c1sc2ncnc(NCCCN(C)C)c2c1C 14963139 SZMKIPZPOYHKPO-UHFFFAOYSA-N 351.476 1.740 0 50 FDAA Cc1ccc([C@H]2NC(=O)N(CC(=O)NC3CCCC3)C3=C2C(=O)OC3)cc1 169764794 ZFDGUDUNWUYXMD-GOSISDBHSA-N 369.421 1.931 0 50 FDAA Cc1csc(S(=O)(=O)N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)c1 1857710147 JRBYGUYWHPOCIE-DSJMHWKBSA-N 356.513 1.786 0 50 FDAA O=C(CCc1ccccc1Cl)N[C@H]1C[C@H]2CO[C@@H](CCO)CN2C1 1857726991 HDJJVMQKQHUYJU-JYJNAYRXSA-N 352.862 1.613 0 50 FDAA CC(C)[C@H]1CN2C[C@H](NS(=O)(=O)c3c(F)cccc3F)C[C@H]2CO1 1875245951 UNDNPNDTXPAZTN-TYNCELHUSA-N 360.426 1.741 0 50 FDAA Cc1nsnc1C(=O)N1CC[C@@]23O[C@H](c4ccccc4)CN2C(=O)C[C@@H]13 1875241975 IKOGMSMIROLNEB-IYOUNJFTSA-N 370.434 1.761 0 50 FDAA COc1cc(O)c2c(c1)C=CC[C@H](O)[C@H](O)[C@H](O)C=CC[C@@H](C)OC2=O 306146147 BPOLRDGTYHVUAY-ZKRNXSKHSA-N 364.394 1.392 0 50 FDAA biogenic,in-vitro CN(C)c1nc(N)nc(C(=O)NCCCCOc2ccc(Cl)cc2)n1 328592662 XYRZZGFGXWMUGB-UHFFFAOYSA-N 364.837 1.762 0 50 FDAA Cn1c(CNc2ccc(S(=O)(=O)N3CCCC3)cn2)nnc1C1CC1 329599929 DSWDFJYXRJMMKI-UHFFFAOYSA-N 362.459 1.484 0 50 FDAA CCC(=O)N1CC[C@H](C(=O)NCC2(N3CCCCC3)CCOCC2)C1 162033310 FZKYXUFKYVSIEI-INIZCTEOSA-N 351.491 1.396 0 50 FDAA O=C1NC(=O)[C@]2(CCC[C@H]2CNC(=O)c2ccc(OC3CCC3)cc2)N1 266680748 LRCNUPGIVUOSLW-ORAYPTAESA-N 357.410 1.726 0 50 FDAA C=CC(=O)N1CCC(C(=O)N[C@@H](CC)C(=O)OC)(c2ccccc2)CC1 847555122 QAOMLHUJFYACQA-INIZCTEOSA-N 358.438 1.801 0 50 FDAA CC1(C)OC(=O)c2c(C(=O)N3C[C@@H]4COCC[C@]4(C(N)=O)C3)cccc21 952850351 LAVOUBQDCADFRF-WYRIXSBYSA-N 358.394 1.056 0 50 FDAA Cn1ccnc1C[C@@H](NC(=O)[C@H]1CCN(c2ccccc2F)C1)C(=O)O 1875291484 AVMBANOXHLZKHP-GXTWGEPZSA-N 360.389 1.198 0 50 FDAA COc1nc2ccc(CN(CC(=O)O)[C@@H]3CCS(=O)(=O)C3)cc2s1 1875291308 UYQQTQCDNSOJHD-LLVKDONJSA-N 370.452 1.379 0 50 FDAA CN(C)C(=O)[C@H]1COCCN1C(=O)c1cnc2c(cnn2C2CCCC2)c1 1875296325 QNCYQUMFWJECLM-MRXNPFEDSA-N 371.441 1.476 0 50 FDAA C=CC(=O)N1CCC(C(=O)N2CCC(OC[C@@H]3CCOC3)CC2)CC1 1875365158 TVOQFBLAVWYYMV-OAHLLOKOSA-N 350.459 1.455 0 50 FDAA C[C@H]1C[C@H](NC(=O)C2C3CC4CC(C3)CC2C4)CN1C(=O)c1cnn[nH]1 1875342689 CTCGWMWCDWYYDZ-YIDRHRTLSA-N 357.458 1.596 0 50 FDAA Cc1cc(=O)cc(C)n1CCCC(=O)N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O 1875400728 JRCBJCSOTGTQFT-BHIYHBOVSA-N 372.469 1.398 0 50 FDAA CO[C@@H]1CN(c2cc[nH]c(=N)n2)C[C@@H]1NC(=O)C/C=C/c1ccccc1F 1875402036 ZFETXCSOOXVIFD-INCBCAAFSA-N 371.416 1.452 0 50 FDAA Cn1c(O)nnc1[C@@H]1[C@H](C2CC2)CCN1C(=O)c1cnc2c(c1)COCC2 1875401977 XQIXPYRQLDTJCG-HOCLYGCPSA-N 369.425 1.602 0 50 FDAA CC(C)(C)c1ccccc1C(=O)N1CCN([C@]2(C(N)=O)CCOC2)CC1 886096858 RAEJPMBWAZSPDO-HXUWFJFHSA-N 359.470 1.386 0 50 FDAA COc1ccc(CN2CCN(C)CC2)cc1NC(=O)c1cc(C)n(C)n1 2325728613 WNUFONOATBZIRG-UHFFFAOYSA-N 357.458 1.737 0 50 FDAA O=C(O)[C@@H]1CN(C(=O)[C@H]2CCc3c[nH]nc3C2)C[C@H]1Cc1ccccc1 2325775294 SXFDVZFIVGRQRD-USXIJHARSA-N 353.422 1.917 0 50 FDAA Cc1sc2ccccc2c1S(=O)(=O)N[C@@]12CC[C@@H](C1)[C@H](O)[C@@H]2O 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366.849 1.423 0 50 FDAA C[C@@H](NC(=O)c1cccc(-c2nccnc2N(C)C)c1)c1ncnn1C 534584142 MGHMMAKYIGETSD-GFCCVEGCSA-N 351.414 1.829 0 50 FDAA CCN(CC)Cc1cnc2c(C(=O)NCc3ccc(CN)cc3)cnn2c1 67447330 FZTRAONNVWYIIM-UHFFFAOYSA-N 366.469 1.960 0 50 FDAA O=C(NCCc1csc(-c2ccncc2)n1)[C@@H]1CCS(=O)(=O)C1 299801046 XHCJCQRTYLONDB-GFCCVEGCSA-N 351.453 1.299 0 50 FDAA Cc1nc(C)n(CCCNC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)n1 299775748 IQXVZQBHKKVNHX-UHFFFAOYSA-N 357.418 1.297 0 50 FDAA CCN1CCNC(=O)[C@H]1Cc1nc(-c2ccco2)nn1-c1cccnc1 823117633 YSNNZGXGNTVXKB-CQSZACIVSA-N 352.398 1.285 0 50 FDAA O=C(c1cscn1)N1CCOC2(CCN([C@@H]3CCSC3)CC2)C1 828210066 MNTUDOMAAABPIU-CYBMUJFWSA-N 353.513 1.956 0 50 FDAA CCc1nc(C)c(C(=O)NCC2CCN(c3ncccc3C(N)=O)CC2)o1 952985321 AOZOEHCGCXONFB-UHFFFAOYSA-N 371.441 1.686 0 50 FDAA CCN1CCNC(=O)[C@H]1CC(=O)Nc1ccccc1Cn1ccnc1C 952984867 TXTKPISPKLIZNC-QGZVFWFLSA-N 355.442 1.389 0 50 FDAA O=C1C[C@@H](C(=O)N2CCN(Cc3ccco3)CC2)CN1Cc1ccncc1 952991448 RXFVMPQCQGMJAL-QGZVFWFLSA-N 368.437 1.368 0 50 FDAA O=C(N[C@H]1CCN(CC(=O)N2CCCCCC2)C[C@@H]1O)c1ccccc1 1565525232 MSKXWQYHOFEZEI-ROUUACIJSA-N 359.470 1.254 0 50 FDAA O=C(O)C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N2CCCCC2=O)CCO1 269041408 QYVJHVVAJQPJOO-CRAIPNDOSA-N 360.410 1.442 0 50 FDAA COCn1nccc1S(=O)(=O)N1CCN(C2CCC(C)CC2)CC1 408333219 BBUAJHUVUGRLBE-UHFFFAOYSA-N 356.492 1.372 0 50 FDAA Cc1ncc(C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c(C)n1 271936651 KITMXCGFKCCEBU-UHFFFAOYSA-N 368.393 1.420 0 50 FDAA COc1ccc(CNC(=O)N2CCN(C(=O)c3ccccn3)CC2)nc1 278405709 OZANWQABLVNWLU-UHFFFAOYSA-N 355.398 1.153 0 50 FDAA CC(C)(C)OC(=O)N1CC(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)C1 170633038 MIPSUNOYXGXJNM-ZDUSSCGKSA-N 363.389 1.987 0 50 FDAA O=C(CNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)NC1CC1 170622925 VYSYMXLDJXODNP-UHFFFAOYSA-N 354.288 1.764 0 50 FDAA Cc1cc(C(=O)Cn2nnc(C3CC3)n2)c(C)n1[C@@H]1CCS(=O)(=O)C1 193721399 ZOKYVZLNZPFTPN-CYBMUJFWSA-N 363.443 1.211 0 50 FDAA O=C1CO[C@H](C(=O)N2CCC(CO)CC2)[C@@H](c2ccccc2Cl)N1 1529120066 RYVJUAZFFACAPF-CVEARBPZSA-N 352.818 1.127 0 50 FDAA CCn1cc(CNC(=O)[C@@H]2C[C@H](C(=O)O)N(C)[C@@H]2c2ccccc2F)cn1 211647656 UQJXKCQEJFWDJX-DJIMGWMZSA-N 374.416 1.805 0 50 FDAA CCC[C@H]1CN(C(=O)c2cc(F)cc(C#N)c2)C[C@@H]1NS(C)(=O)=O 216638372 LJOTYYQZROOJQI-WFASDCNBSA-N 353.419 1.487 0 50 FDAA Cc1cc(-c2nn(C)c(Cl)c2CN2C[C@H]3CCN(C)C(=O)[C@H]3C2)no1 1772810835 NZBLOMQFIGFPQU-NEPJUHHUSA-N 363.849 1.947 0 50 FDAA Cc1nonc1CNC(=O)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1772808537 SSOMLYBKKAUWJD-LLVKDONJSA-N 363.443 1.092 0 50 FDAA CSc1nccc(N2C[C@H]3[C@@H](C2)OC(=O)N3CCN2CCCCC2)n1 12003721 JSIWKMLBALATIY-UONOGXRCSA-N 363.487 1.694 0 50 FDAA CCCn1c(C)c(CC(=O)N2CCNC(=O)C2)c2c1CC(C)(C)CC2=O 12459202 LLDPOMRUTPELAU-UHFFFAOYSA-N 359.470 1.863 0 50 FDAA COC(=O)CCC(=O)N[C@@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 12584140 CBDWWWWNGGDNQA-CQSZACIVSA-N 352.818 1.553 0 50 FDAA CCc1cccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N3C2)c1 14749862 VJIIGJYWOUADON-ULQDDVLXSA-N 372.469 1.885 0 50 FDAA COCCNC(=O)c1cn(C2CCN(C(=O)C3CCCCC3)CC2)nn1 14996892 JGWFKMRJIHDDAR-UHFFFAOYSA-N 363.462 1.398 0 50 FDAA COCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1OC 16606387 ZOYGHRJCJNAJBT-UHFFFAOYSA-N 356.444 1.246 0 50 FDAA Cc1cc(CC(C)C)nc(N2CC[C@@H](N3CC4(CNC(=O)N4C)C3)C2)n1 1857672931 JWJPTEAAGFAGGT-MRXNPFEDSA-N 358.490 1.272 0 50 FDAA O=C(CCc1ccc(O)nn1)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1875242913 IADXUUNMIBHZCI-QZTJIDSGSA-N 368.437 1.399 0 50 FDAA O=C(CCCn1cncn1)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccc1 213095187 MMXUKDNOCURWJK-MSOLQXFVSA-N 367.453 1.708 0 50 FDAA CCC[C@H]1CCCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)C1 331711637 LACFSJYWKBBIGU-ZDUSSCGKSA-N 364.471 1.880 0 50 FDAA Cc1cc(N2CCC[C@H](NC(=O)c3cccnc3N(C)C)C2=O)n(C)n1 332401279 NHASRHCGCJRZKN-AWEZNQCLSA-N 356.430 1.115 0 50 FDAA O=C(NC1(C(=O)O)CC1)[C@H]1CC(=O)N(c2ccccc2Br)C1 237949160 ZYTPMEQOWQOEAM-VIFPVBQESA-N 367.199 1.535 0 50 FDAA O=C(NCc1ccccc1)c1cn(CCNC(=O)c2ccccc2F)nn1 14991614 WBOUOFBCSHDWLW-UHFFFAOYSA-N 367.384 1.777 0 50 FDAA CCN1CCN(C[C@@H](C)CNC(=O)c2cnn(CC(F)(F)F)c2)CC1 252550554 SSGIZHCAWRXNRO-ZDUSSCGKSA-N 361.412 1.449 0 50 FDAA O=C1[C@H](N2CCN(c3cnccn3)CC2)CCCN1c1ccccc1F 154577839 SFVPVEHTYZYGGJ-QGZVFWFLSA-N 355.417 1.933 0 50 FDAA COC(=O)c1ccccc1-n1ncc(N2CCO[C@@H]3C[C@H]32)c(Cl)c1=O 366171169 HOFSHWQFWNOURI-TZMCWYRMSA-N 361.785 1.650 0 50 FDAA COc1ccccc1C1(C(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 495789103 NGEKEHUTWNSKHS-UHFFFAOYSA-N 352.456 1.267 0 50 FDAA COc1cc(C(=O)N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)cc(OC)c1O 1704299054 NKVNHNRMIDQLHQ-VQIMIIECSA-N 364.442 1.328 0 50 FDAA CS(=O)(=O)NC[C@@H]1CCCCN1S(=O)(=O)CCCc1ccccc1 913909674 ILIHFTITRXKPKJ-INIZCTEOSA-N 374.528 1.353 0 50 FDAA CNC(=O)c1cn(C[C@@H]2CCCN(Cc3cc4cnccc4[nH]3)C2)nn1 1875286711 BTADCIHTVDTBPG-CYBMUJFWSA-N 353.430 1.426 0 50 FDAA Brc1csc2ncnc(N3CCN(c4nn[nH]n4)CC3)c12 1875294348 FQDBCTUFRKJRAT-UHFFFAOYSA-N 367.236 1.294 0 50 FDAA CN(C)C/C=C/C(=O)NC[C@H]1CCCC2(CN(C(=O)OC(C)(C)C)C2)O1 1875379323 PWJPNMXUBJCLLY-LOWQCSRCSA-N 367.490 1.779 0 50 FDAA O=C(c1cc(C(F)(F)F)nn1C1CC1)N1C[C@@H](CCO)[C@@H](CCO)C1 1875308363 BYRUNGHBDLOHLG-PHIMTYICSA-N 361.364 1.690 0 50 FDAA C=CC(=O)NCc1ccc(C(=O)N=[S@@]2(=O)CCC3(C2)OCCO3)cc1 1875370661 XRSXFLOPSGKATC-RUZDIDTESA-N 364.423 1.244 0 50 FDAA CO[C@@H]1CN(C(=O)c2ccc(N3CCCC3)nc2)C[C@H]1c1cn(C)nn1 886084727 CMBRKYKBLMVMGZ-GOEBONIOSA-N 356.430 1.065 0 50 FDAA C[C@H]1CN(S(C)(=O)=O)[C@H](C)CN1Cc1ccc(-c2ccccn2)nc1 886093922 KJVMJXWITHTRSZ-LSDHHAIUSA-N 360.483 1.998 0 50 FDAA O=C(c1cn([C@@H]2COC[C@H]2O)nn1)N1CC=C(c2ccc(F)cc2)CC1 888093514 BELKJCYATYWFAE-IAGOWNOFSA-N 358.373 1.279 0 50 FDAA CCN1C(=O)CC[C@H](CNc2ccc3nncn3n2)[C@H]1c1cnn(C)c1 888102731 JHAGFCSECQLXCC-PXAZEXFGSA-N 354.418 1.270 0 50 FDAA CC(=O)c1ccc(N2CN=c3s/c(=C\c4ccco4)c(=O)n3C2)cc1 709716 RNBMFAWXFMEVIP-SXGWCWSVSA-N 353.403 1.589 0 50 FDAA COc1ccccc1C(=O)N1CCN(Cc2ccn3ncnc3c2)CC1 2100482194 FILJOTYUCGYEMJ-UHFFFAOYSA-N 351.410 1.696 0 50 FDAA O=C1CCN(c2ccccc2C(=O)N2[C@H]3CC[C@@H]2C[C@@H](CO)C3)C(=O)N1 2100482667 PVCWNSXBPWUKHF-ZSOGYDGISA-N 357.410 1.508 0 50 FDAA CCOc1ccc2nc(O)c(CN3CCO[C@H](c4nnn(C)n4)C3)cc2c1 2100543831 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O=C(NCc1ccccn1)c1cc2n(n1)CCN(C(=O)[C@@H]1CCCCO1)C2 67774023 PEYXMQBRDQEVLD-KRWDZBQOSA-N 369.425 1.119 0 50 FDAA CCc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)cc1 252536728 JIBXYWPSHYGDIL-UHFFFAOYSA-N 368.480 1.636 0 50 FDAA CN1CCN(Cc2ccc(C(=O)N3CCC[C@H](N(C)C)CC3)cc2)CC1 219774813 VNUKMBOLEABURJ-FQEVSTJZSA-N 358.530 1.990 0 50 FDAA CC(=O)N1CCN(C(=O)C[C@H]2COCCN2C/C=C/c2ccccc2)CC1 72478711 PSJYLXCGYPPUEM-FKIZTMCRSA-N 371.481 1.481 0 50 FDAA Cc1ccccc1C(=O)NC1CCN(C(=O)CN2CCC[C@](C)(O)C2)CC1 124141378 ITQVGNPWUPKRPV-NRFANRHFSA-N 373.497 1.563 0 50 FDAA CCN(C[C@H](C)C(=O)OC)C(=O)C[C@@H]1COCCN1C(=O)OC(C)(C)C 253418983 HJJYDYGPBSEJKC-UONOGXRCSA-N 372.462 1.670 0 50 FDAA CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1cnc(N2CCOCC2)nc1 328656626 ZMRAEBAJCFCZED-IRXDYDNUSA-N 372.473 1.540 0 50 FDAA CN1CC2(CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(O)c4)C3)CC2)OC1=O 72427942 JWCBEGKNGKRXMQ-CYBMUJFWSA-N 373.409 1.188 0 50 FDAA CCc1onc(C)c1C(=O)N1CCC[C@@H](N(C)Cc2nccc(N)n2)CC1 328624244 CIBHDRTWEPDJPI-CQSZACIVSA-N 372.473 2.044 0 50 FDAA Cn1ccnc(NC[C@H]2CN(Cc3ccc4ncccc4c3)CCO2)c1=O 328644609 RXMIOHGKNGGPPO-KRWDZBQOSA-N 365.437 1.641 0 50 FDAA Cc1[nH]cnc1CN1CCc2nc(N(C)C)nc(N3CCC(O)CC3)c2C1 72439480 FTUFSRKWDHXDAN-UHFFFAOYSA-N 371.489 1.094 0 50 FDAA O=C(CCCC(=O)N1CCCn2nc([C@H](O)CO)cc2C1)c1ccccc1 219601358 GKGYILSAGLGIQM-LJQANCHMSA-N 371.437 1.694 0 50 FDAA NC(=O)[C@H]1CCCN(C(=O)CN2CCC3(CC2)OCc2ccccc23)C1 361343065 SSVQAHGPZFPOPI-HNNXBMFYSA-N 357.454 1.232 0 50 FDAA COCc1cc(N2CCN(C(=O)c3cccs3)CC2)n2nccc2n1 72448406 QEJNOXHXRWMOBV-UHFFFAOYSA-N 357.439 1.900 0 50 FDAA COc1cc(CC(=O)N2CCC[C@](O)(CN(C)C)C2)cc(OC)c1OC 72166247 AKVCDUQKVXRRJI-IBGZPJMESA-N 366.458 1.170 0 50 FDAA C[C@H](C(=O)Nc1ccc2nc(O)[nH]c2c1)N1CC[C@@H](Cc2cnn(C)c2)C1 363137377 XZGRVPGAWDPLHM-OLZOCXBDSA-N 368.441 1.894 0 50 FDAA Cc1cc(C)nc(-n2cc(C(=O)N[C@H]3CCN(C(N)=O)C3)c(C(C)C)n2)n1 332122818 AIPFKWGKRDGERS-ZDUSSCGKSA-N 371.445 1.285 0 50 FDAA CCc1[nH]c2ccc(CNC(=O)Cn3cc(C)c(=O)[nH]c3=O)cc2c1C 71760113 KURMKYQHNHZCSG-UHFFFAOYSA-N 354.410 1.514 0 50 FDAA CNC(=O)c1ccc(CN[C@H]2CCN(c3ccccc3C(N)=O)C2)cc1 370832699 ZDPAJRMYQYTWHU-INIZCTEOSA-N 352.438 1.514 0 50 FDAA CCN1C(=O)[C@@H]2CN(c3cc(COC)nc(C(C)(C)C)n3)CCN2C1=O 372731328 USPVYKYLBYEGSC-ZDUSSCGKSA-N 361.446 1.393 0 50 FDAA Cc1cc(CN(C)C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)no1 242324325 ZADNIILLFYYKRG-MRXNPFEDSA-N 356.426 1.332 0 50 FDAA C[C@H]1CN(C(=O)c2csc(-c3ccc4c(c3)OCO4)n2)CC(=O)N1C 282373200 NDUYSNVDHOFBGS-JTQLQIEISA-N 359.407 1.842 0 50 FDAA CCN(CC)CC(=O)NCc1cc2c(nc1OC)CN(C1CCCC1)C2=O 71760002 JREVFALOUWFLOK-UHFFFAOYSA-N 374.485 1.947 0 50 FDAA CCCc1cc(CNC(=O)Cn2c(C)nn(-c3ccccc3)c2=O)on1 77426426 OVYKFDWNIQGOAZ-UHFFFAOYSA-N 355.398 1.599 0 50 FDAA Cn1cc([C@@H]2CCCN2C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)cn1 173188580 OQRVMFTVDMNGPN-CABCVRRESA-N 371.445 1.196 0 50 FDAA CC(C)Cc1cc(C(=O)NCc2cc3n(n2)CCN(C(=O)N(C)C)C3)on1 82086811 OWRHOUQECOYLAX-UHFFFAOYSA-N 374.445 1.497 0 50 FDAA Cc1ccc(N2CCN(C(=O)[C@H]3CCCCn4nnnc43)CC2=O)cc1 82108809 KMYIEKWUBOFAOJ-HNNXBMFYSA-N 354.414 1.124 0 50 FDAA Cn1c(CCN2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)nc2ccccc21 285472975 LCJPKNVKBWCFHY-HNAYVOBHSA-N 356.470 1.718 0 50 FDAA CC(=O)Nc1cccc(OCCNC(=O)N2C[C@@H](C(=O)O)C[C@@H](C)C2)c1 263354887 QPSBIPJMJWGZCW-OCCSQVGLSA-N 363.414 1.776 0 50 FDAA O[C@H]1C[C@@H]([C@H](Nc2ncc(F)c(N3CCOCC3)n2)c2ccccn2)C1 223764777 FVNCCNQVABIJLO-XEZPLFJOSA-N 359.405 1.771 0 50 FDAA Cc1nc2ccccn2c1CN(C)C(=O)[C@@H]1CCCN1S(C)(=O)=O 426390029 ZSPVFXFYPKUXMU-ZDUSSCGKSA-N 350.444 1.025 0 50 FDAA Cc1cc(C)nc(CNC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)n1 426515732 PXNLNBURYLOGQZ-UHFFFAOYSA-N 374.489 1.109 0 50 FDAA O=C1C[C@@]2(CCN(C(=O)C3(c4ccc(F)cc4)CCOCC3)C2)C(=O)N1 82097591 SRQRBNDKZABACU-GOSISDBHSA-N 360.385 1.139 0 50 FDAA CCn1cc(CN2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)c(C)n1 91320810 NKRYYLRZCBTYSX-INIZCTEOSA-N 368.489 1.964 0 50 FDAA CN1CCCN(C[C@@H]2CN(Cc3ccnc4ccccc34)C[C@@H]2CO)CC1 91951705 FMWXGLVJOACMNY-WOJBJXKFSA-N 368.525 1.913 0 50 FDAA Cc1nccc(C2CCN(C(=O)c3cc(=O)nc4sccn34)CC2)n1 426361862 ZUTQLRJVFKYMDT-UHFFFAOYSA-N 355.423 1.874 0 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COCc1noc(CNC(=O)N2CCN(c3ccccc3C)C[C@H]2C)n1 534636989 MKDDRCPVTPUUIZ-CQSZACIVSA-N 359.430 1.945 0 50 FDAA CO[C@@]12CC[C@@H](NC(=O)C3CC3)C[C@@H]1N(C(=O)c1cc(C)nc(O)c1)CC2 534636943 OVOOJVGDIXADBS-GQIGUUNPSA-N 373.453 1.774 0 50 FDAA Cc1ccc(-c2noc([C@H](C)NC(=O)N3CCN(CCCO)CC3)n2)cc1 534655887 XDKIPNINWRHOII-HNNXBMFYSA-N 373.457 1.816 0 50 FDAA COCC(=O)N1CCCN(C(=O)c2cccc(-c3nccc(N)n3)c2)CC1 534587894 QPLJVODOFRAFDD-UHFFFAOYSA-N 369.425 1.047 0 50 FDAA COc1cc(Cl)c(S(=O)(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1Cl 632350086 VRPKXLJTUFEHIT-QWRGUYRKSA-N 369.270 1.297 0 50 FDAA COCc1cc(CNC(=O)Nc2cccc(N3CCN(C)C3=O)c2)n[nH]1 299777351 LCOAPBGHZHNCKN-UHFFFAOYSA-N 358.402 1.750 0 50 FDAA Cc1ccc(S(N)(=O)=O)cc1NC(=O)NCc1noc(C(C)C)n1 299764794 LORUHQCBMNNLMW-UHFFFAOYSA-N 353.404 1.471 0 50 FDAA CN(C)C1=NC2(CCN(C(=O)C[C@H]3CCc4ccccc43)CC2)C(=O)N1 299757800 BQKIYIDZMMFRFK-OAHLLOKOSA-N 354.454 1.515 0 50 FDAA Cc1nnc(SCCNC(=O)c2ccc(S(C)(=O)=O)cc2)s1 825296810 XAAHFIFLFGPFKL-UHFFFAOYSA-N 357.482 1.772 0 50 FDAA 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1.548 0 50 FDAA C[C@@H]1CN([C@@H](CNC(=O)[C@@H]2CCNC2)c2c(F)cccc2Cl)CCO1 237430679 JXFMXTMSNPBKQW-IOASZLSFSA-N 369.868 1.967 0 50 FDAA CC1(C)OCC[C@@H]1NC(=O)[C@H]1CC[C@@H](C(=O)N[C@H]2CCOC2(C)C)C1 334006681 ULBYDDOZUAFNHV-XGUBFFRZSA-N 352.475 1.770 0 50 FDAA Cc1c(C(=O)NCc2nc3ccccc3n2C)nnn1C1CCNCC1 237769572 AMTHIKCAFWSTNC-UHFFFAOYSA-N 353.430 1.328 0 50 FDAA CCc1nc(C)cc(N2C[C@@H](COCC(=O)N(C)C)OC(C)(C)C2)n1 284940302 JHUMDQLINRWZIX-AWEZNQCLSA-N 350.463 1.436 0 50 FDAA COc1cccc(NC(=O)Cn2nc(-n3nc(C)cc3C)ccc2=O)c1 40287721 TXPBNDOFPPAKHF-UHFFFAOYSA-N 353.382 1.693 0 50 FDAA CC(C)[C@@H]1CN(C(=O)CSc2ccccc2)C[C@H]1NS(C)(=O)=O 82107147 STAVWHGKUYLUPW-LSDHHAIUSA-N 356.513 1.811 0 50 FDAA CN(C)Cc1nnc([C@H]2C[C@H](NC(=O)c3n[nH]c4ccccc34)C2)n1C 222320740 UMRWLAXYPGXEEC-TXEJJXNPSA-N 353.430 1.429 0 50 FDAA COc1cccc(CN2CCN(C(=O)[C@H]3[C@@H](N)[C@H]4CC[C@@H]3C4)CC2=O)c1 82133662 NZFAWXSRQOKCNV-OHQAAIJDSA-N 357.454 1.239 0 50 FDAA Cc1nc([C@H]2CCCN(C(=O)Nc3cc(F)c4c(c3)NC(=O)CO4)C2)n[nH]1 426493893 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1.970 0 50 FDAA O=C(O)CC[C@@H]1CCCN(C(=O)CCn2nnc3ccccc3c2=O)C1 262274292 WZTWYIDOEXKFGV-ZDUSSCGKSA-N 358.398 1.285 0 50 FDAA CN(CC1(O)CCOCC1)C(=O)C[C@H]1Sc2ccccc2NC1=O 376416578 NXDHDQVJSVJSBD-CQSZACIVSA-N 350.440 1.489 0 50 FDAA O=C(CN1CCN(C2CC2)C1=O)N1CCC(c2nc(C3CCC3)no2)CC1 827045939 NEDKUMAHNKGLMG-UHFFFAOYSA-N 373.457 1.943 0 50 FDAA CS(=O)(=O)[C@@H](Cc1ccccc1)C(=O)N1CCC2(CCC[C@@H]2N)CC1 1875292367 GBOXXKKUMFAANR-IRXDYDNUSA-N 364.511 1.762 0 50 FDAA Cc1ncc2c(n1)CC[C@H](NC(=O)NCc1ccc3c(c1)CC(=O)N3)C2 1875253006 ZSKHUFBBOANFSA-HNNXBMFYSA-N 351.410 1.636 0 50 FDAA CC1(O)C[C@@H]2CC[C@H](C1)N2c1ncnc2c1ncn2C1CC(CO)(CO)C1 1875269267 PXJGMTPGCLIKDD-NCNPBXTDSA-N 373.457 1.014 0 50 FDAA O=C(c1cc(C(F)(F)F)nn1C1CC1)N1CCC[C@H](Cc2nn[nH]n2)C1 1875318399 IVCSQVXDVYCBBZ-SECBINFHSA-N 369.351 1.845 0 50 FDAA COc1cc(N2C[C@@H](O)[C@H](CC(=O)N(C)C)C2)c(Br)cn1 1875398459 RDRJVLIDQZTABX-BXKDBHETSA-N 358.236 1.128 0 50 FDAA C=CC(=O)N1CCC(C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 1875365446 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364.833 1.086 0 50 FDAA CCN(C(=O)c1cccc(-c2nccnc2NC)c1)[C@@H]1CCS(=O)(=O)C1 534666296 COHJQEMNDJFBDF-OAHLLOKOSA-N 374.466 1.835 0 50 FDAA O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1n[nH]c(C2CCC2)n1 184627292 NWDPXXRJDPQVHZ-UHFFFAOYSA-N 350.382 1.935 0 50 FDAA CN1CC[C@H](NC(=O)N(CCCn2ccnc2)Cc2ccncc2)C1=O 534576640 FDKXEWBJXVWCRT-INIZCTEOSA-N 356.430 1.111 0 50 FDAA Cc1ccc(C(=O)N[C@@H]2CCN(Cc3c(C)noc3C)C[C@H]2O)cc1O 299766841 SLBJOFWQNLXASA-SJLPKXTDSA-N 359.426 1.671 0 50 FDAA CCO[C@H]1COC[C@@H]1NC(=O)Nc1ccc(OC)c(NC(=O)CC)c1 299759041 GTORIRAHGDSVSJ-ZFWWWQNUSA-N 351.403 1.969 0 50 FDAA CCCOC[C@H]1CCN(C(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)C1 584894609 QUSPGFAVEMYAAY-AWEZNQCLSA-N 354.472 1.840 0 50 FDAA Cc1nc([C@@H](C)NS(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)n[nH]1 670457632 SQZDELBVQCFYBJ-LLVKDONJSA-N 360.443 1.955 0 50 FDAA CN(C)C(=O)CO[C@H]1COCC[C@@H]1NC(=O)C1(c2ccccc2F)CC1 1565531220 KAMFETFVVIZHBH-HOTGVXAUSA-N 364.417 1.236 0 50 FDAA CCn1ccnc1CN1CCN(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 1565508835 PUHVOWUSJDSXLV-ZWKOTPCHSA-N 374.510 1.386 0 50 FDAA COCCn1ccc(NC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)n1 171001585 ZHLXJMIKOUSESS-OAHLLOKOSA-N 357.414 1.625 0 50 FDAA COC[C@@H]1CCCN(S(=O)(=O)N2CCC(Oc3cccnc3)CC2)C1 1506425763 RDRMIBYXICBMQW-OAHLLOKOSA-N 369.487 1.528 0 50 FDAA Cc1cc(C[C@@H]2CN(Cc3cnc(N4CCCCC4)nc3)C[C@H]2O)n[nH]1 1529192227 SQCTTZVLKPRXGR-SJLPKXTDSA-N 356.474 1.534 0 50 FDAA COc1ccc(F)c(F)c1C(=O)N1CC[C@@]2(CO)CCCN(C)[C@@H]2C1 1704344636 UWMIHZPHQDJJRO-RDTXWAMCSA-N 354.397 1.892 0 50 FDAA Cc1ccc(F)c(S(=O)(=O)N2CC[C@@]3(C(=O)O)CCCN(C)[C@@H]3C2)c1 1704299633 SHNMBASIJKTTAV-WBVHZDCISA-N 370.446 1.694 0 50 FDAA O=C(c1ccc(-n2cnnc2)cc1)N1CCCN(Cc2cc[nH]n2)CC1 1772813901 AOEPJRCONRBKMZ-UHFFFAOYSA-N 351.414 1.339 0 50 FDAA COc1c(F)cccc1C(=O)N1CCCN(C[C@@H]2COCCO2)CC1 1772809037 KFEGYFRJLIHEQG-CQSZACIVSA-N 352.406 1.398 0 50 FDAA O=C(c1cccc(-n2cnnc2)c1)N1CCCN([C@H]2CCSC2)CC1 1775984256 LMDNTATXEBKHIW-KRWDZBQOSA-N 357.483 1.921 0 50 FDAA O=C(c1ccccn1)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21 12421778 MDVCUFZOHSZKIN-UHFFFAOYSA-N 373.434 1.305 0 50 FDAA CC(=O)c1cccc(N(CC(=O)N2CCC[C@@H](C)C2)S(C)(=O)=O)c1 13647537 GTVWVRAHVBZELN-CYBMUJFWSA-N 352.456 1.914 0 50 FDAA CCc1cc(C(=O)N2CCC(=O)N(CCOc3ccccc3)CC2)n(C)n1 14986726 ZBDQMRMNNASFOY-UHFFFAOYSA-N 370.453 1.736 0 50 FDAA COc1ccc([C@@H]2CC(=O)c3cnc4c(c3C2)c(=O)n(C)c(=O)n4C)cc1 19821205 QAMLNOSUJIMSJM-LBPRGKRZSA-N 365.389 1.554 0 50 FDAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)[C@H]1CNCCOC1)CC2 1857668539 CVRLBRYDWLTLCA-INIZCTEOSA-N 354.454 1.250 0 50 FDAA CCOC(=O)CCNC(=O)C1CCN(c2nc3nc(C)ccc3o2)CC1 1857734970 APNYHMPGOGQFFR-UHFFFAOYSA-N 360.414 1.817 0 50 FDAA c1nc2nc(N3CC[C@@]4(CCOC4)C3)cc(N3CC[C@]4(CCOC4)C3)n2n1 225395645 LPYSLZXQRGLART-MOPGFXCFSA-N 370.457 1.358 0 50 FDAA CC(C)[C@@H]1N(C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc3c(c1)CCOC3)C2 926139924 FTVREKVEVRYRQM-BNDYYXHWSA-N 358.482 1.969 0 50 FDAA COCc1cc(N2CC[C@H](Oc3cnccc3CNC(C)=O)C2)ncn1 952849770 PUKUCJUNFLFUNO-INIZCTEOSA-N 357.414 1.312 0 50 FDAA Cc1c(CCC(=O)N2CCCN(c3ncnc4[nH]cnc34)CC2)cnn1C 1875278638 QUUQTCKFTAUPKT-UHFFFAOYSA-N 368.445 1.066 0 50 FDAA COc1cnc(C(=O)N2CCCC[C@H](Nc3nc(C)ncc3C)C2)nc1 1875359379 BNVGQJALBWGULU-AWEZNQCLSA-N 356.430 1.999 0 50 FDAA COC(=O)[C@@H]1COCCN1C(=O)c1ccc(Cl)c(N2CCCC2)n1 1875319241 UTUHNPDCJPMANG-ZDUSSCGKSA-N 353.806 1.349 0 50 FDAA C[C@@H](C(=O)N(C)CCCNC(=O)c1cc2nc[nH]c2cn1)[C@H]1CCCO1 1875358121 KAUAQFAUBGOJCZ-MLGOLLRUSA-N 359.430 1.351 0 50 FDAA O=C(N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O)c1ccnc(-n2cccc2)c1 1875403405 VYPVZBLGAKUZPK-USXIJHARSA-N 351.410 1.638 0 50 FDAA Cn1nccc1[C@@H]1OCC[C@H]1CN1CC(OCc2nc(C3CC3)no2)C1 888078436 RHQXTUJHWYLFKK-SUMWQHHRSA-N 359.430 1.659 0 50 FDAA Cn1nc(C[C@H]2CCCC[C@H]2NC(=O)c2cc(Cl)c[nH]2)n(C)c1=O 888094537 AITLOTZEZKRCME-ZYHUDNBSSA-N 351.838 1.632 0 50 FDAA Cc1ccc(N2CCCn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)cc1 8656825 SOCOPXOZIBLHSU-UHFFFAOYSA-N 369.425 1.129 0 50 FDAA CC(C)(C)c1ncc(S(=O)(=O)NC[C@@H]2CCCS(=O)(=O)C2)o1 2325821679 OQDGNKBCJANUBQ-JTQLQIEISA-N 350.462 1.075 0 50 FDAA O=C(O)[C@@H](NC(=O)C1(n2ccnn2)CC1)c1ccc(OCC(F)F)cc1 2325876468 WKTZILMXTRXINW-ZDUSSCGKSA-N 366.324 1.353 0 50 FDAA Cn1nc(CC(=O)N2CCN(c3ccccc3)CC2)c2ccccc2c1=O 782914 AJZAQOSGPQIVMW-UHFFFAOYSA-N 362.433 1.825 0 50 FDAA CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1 1069336 MBMARFJPZGVBLD-HNNXBMFYSA-N 351.428 1.077 0 50 FDAA Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1 1615443 HOFGETLODCEHBQ-UHFFFAOYSA-N 368.480 1.560 0 50 FDAA biogenic CN(C)[C@H]1CC[C@@H](CNC(=O)c2ccccc2N2CCC(=O)NC2=O)CC1 2356139550 RTRLYSIOCYRHPT-GASCZTMLSA-N 372.469 1.983 0 50 FDAA Cc1ccc2nc(C(=O)N3CCC[C@@]34CCCN(CCO)C4=O)c(F)n2c1 2356143850 APAYPXIPIOGHEL-LJQANCHMSA-N 374.416 1.371 0 50 FDAA Cc1nn(CC(=O)O)c(C)c1Nc1ncc(F)c(N2CCOCC2)n1 2356144823 NLMZGDFHLPQQQB-UHFFFAOYSA-N 350.354 1.094 0 50 FDAA COc1ccc2c(c1)[C@@H](C(=O)NCc1cccc3ncnn13)CC(=O)N2 2356146709 RIDDURWRWRRUKM-AWEZNQCLSA-N 351.366 1.480 0 50 FDAA COc1cc(-c2cccc(C(=O)N3CCC(C(N)=O)CC3)c2)c(=N)[nH]c1C 2356153193 WCVRIEXEGOBDBA-UHFFFAOYSA-N 368.437 1.816 0 50 FDAA CCCN1CCC[C@]2(CCCN2C(=O)Cn2c(C)cc(C)nc2=O)C1=O 2356167818 DHQLYRVOSORLOW-IBGZPJMESA-N 360.458 1.254 0 50 FDAA O=C(OCc1ccccc1)C1=NN[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 4694752 MHIGYURNGXWTCZ-JKSUJKDBSA-N 363.373 1.243 0 50 FDAA CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)C1CCCCC1 4839706 VJZDWYFDLZILRT-ZDUSSCGKSA-N 369.487 1.110 0 50 FDAA CCOC(=O)N1CCN(C(=O)NS(=O)(=O)c2ccc(C)cc2)CC1 4857913 BEZWEDHMMGWNRC-UHFFFAOYSA-N 355.416 1.167 0 50 FDAA O=C(Nc1cc(N2CCCS2(=O)=O)ccc1O)c1ccc(F)cn1 225576808 VSEBDCUXGYFHPN-UHFFFAOYSA-N 351.359 1.719 0 50 FDAA Cc1noc2ncc(NC(=O)Cc3csc(N4CCNC4=O)n3)cc12 225531495 ZFLGKZVULYPQAJ-UHFFFAOYSA-N 358.383 1.699 0 50 FDAA CN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3ccnn3C)CC2)[C@H]1O 20587247 VGMQMAFIIHHFEJ-MSOLQXFVSA-N 354.454 1.571 0 50 FDAA Cc1cccc(CN2CCN(C(=O)c3cc(C)[nH]c(=O)c3)[C@@H](C)C2=O)c1 55099723 JCCVVEPLRANMKS-HNNXBMFYSA-N 353.422 1.865 0 50 FDAA O=C([C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)N1CCOCC1 67743175 VIWYBQDBBZAPCD-LJQANCHMSA-N 372.513 1.617 0 50 FDAA CN1CCNC(=O)C12CCN(C(=O)c1ccccc1C(F)(F)F)CC2 67690353 QOLUAMNDYNRHDQ-UHFFFAOYSA-N 355.360 1.742 0 50 FDAA Cc1ccc([C@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)N(C)C)cc1 65384141 MULGYCGOMAWZBT-QGZVFWFLSA-N 361.467 1.562 0 50 FDAA Cc1cc(NC(=O)C(=O)N2CCN(C3Cc4ccccc4C3)CC2)no1 67673373 USLVDOSIHZIOOI-UHFFFAOYSA-N 354.410 1.233 0 50 FDAA COc1ccc(OCc2nc(C(=O)NCCN3CCOCC3)co2)cc1 67909013 UFLMONZVBUIAAP-UHFFFAOYSA-N 361.398 1.324 0 50 FDAA COc1ccc2c(c1)OC[C@H](C(=O)O[C@@H]1CC[C@@H](S(C)(=O)=O)C1)C2 229420095 YPYWTAYOPWHSHU-BPLDGKMQSA-N 354.424 1.755 0 50 FDAA CC(=O)N[C@@H]1CCCN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)C1 229571403 YKBORAAVBISJCV-VBQJREDUSA-N 356.488 1.312 0 50 FDAA NC(=O)[C@H]1CCCN1C(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 35686240 KBHSVQLPZPPYDX-OAHLLOKOSA-N 356.378 1.137 0 50 FDAA CC[C@@]1(C2CCN(C(=O)c3c(C)[nH]c(C(C)=O)c3C)CC2)NC(=O)NC1=O 67513733 UVUNCUIQNQFTAZ-IBGZPJMESA-N 374.441 1.675 0 50 FDAA O=C(O)CS(=O)(=O)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F 1397040 SDPWORPGTZGTRZ-UHFFFAOYSA-N 359.709 1.797 0 50 FDAA COc1ccc(S(=O)(=O)N2CCN(CCc3ccccn3)CC2)cc1 36384694 JLZQWORGHCDBJK-UHFFFAOYSA-N 361.467 1.639 0 50 FDAA CC[C@H]1CN(C(=O)Cn2c(=O)cnc3ccccc32)CCN1CC(F)F 124986088 HVEMRHYYOQLUSU-ZDUSSCGKSA-N 364.396 1.584 0 50 FDAA CCc1ccc(CN2CCN(C(=O)C(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 72462868 QGFOAZUHSXWUEJ-ZWKOTPCHSA-N 364.511 1.715 0 50 FDAA COc1ccc(Cc2ncc(S(C)(=O)=O)c([C@@H]3CCCNC3)n2)cc1 71707903 PSSOHPGUNMJIRT-CQSZACIVSA-N 361.467 1.947 0 50 FDAA Cn1c(CN2CCOCC2)nnc1[C@@H]1CCCN(Cc2cccnc2N)C1 72475208 BZEMKCGUTDHRSF-MRXNPFEDSA-N 371.489 1.004 0 50 FDAA CCc1noc2ncc(S(=O)(=O)NC[C@@H]3CCn4ccnc4C3)cc12 328630683 QEDUSFDRFCYHHC-LLVKDONJSA-N 361.427 1.523 0 50 FDAA NC(=O)[C@H]1CCCN(CCNC(=O)c2ccc3c4c([nH]c3c2)CCCC4)C1 216356565 CWHJYBYQJUGHGH-HNNXBMFYSA-N 368.481 1.974 0 50 FDAA NC(=O)c1cccc(C[C@H]2CCN(C(=O)CCn3ccccc3=O)C2)c1 72150511 HKTCUTXXKHTYHA-MRXNPFEDSA-N 353.422 1.429 0 50 FDAA CCCCN(Cc1nc(-c2cccnc2)no1)[C@@H]1CCS(=O)(=O)C1 172164084 XBADNIAKIQJSLG-CQSZACIVSA-N 350.444 1.921 0 50 FDAA COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1NCCc2[nH]cnc21)CC3 72479623 QBAWDUZIVJJMTM-SFHVURJKSA-N 351.410 1.671 0 50 FDAA Cc1cc(C(=O)NS(=O)(=O)c2cc(C(N)=O)n(C)c2)ccc1Cl 151525863 UDDKHAOJCBRPIB-UHFFFAOYSA-N 355.803 1.205 0 50 FDAA Cc1nnc2n1CCN(C(=O)CCc1nc(-c3ccccc3)no1)CC2 77522883 CRMYDOHHXGERFC-UHFFFAOYSA-N 352.398 1.654 0 50 FDAA O=C(O)[C@H]1C[C@@H](C(=O)NCc2cccnc2)CN(Cc2ccccc2)C1 71639366 ZSBYKEMMSCPOHX-MSOLQXFVSA-N 353.422 1.921 0 50 FDAA CCS(=O)(=O)N1CCC[C@H](c2n[nH]c(=S)n2C[C@@H]2CCCO2)C1 13322717 KBISCBOHEUHMAZ-RYUDHWBXSA-N 360.505 1.649 0 50 FDAA O=C(CN(C[C@H]1CCCO1)[C@H]1CCN(CC(F)(F)F)C1)N1CCCC1 242140854 WPWAVRMRLUWJGT-LSDHHAIUSA-N 363.424 1.726 0 50 FDAA CC(C)n1cc([C@@]2(O)CCCN(C(=O)c3cccc4[nH]ncc34)C2)nn1 286066163 JIBOSSNTZOMUCF-GOSISDBHSA-N 354.414 1.859 0 50 FDAA O=C(NCc1cc(-c2ccccn2)no1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 221367770 JHYUAZQRPOHFMO-UHFFFAOYSA-N 363.333 1.196 0 50 FDAA O=C(c1cccc(=O)[nH]1)N1CCC(n2cc(-c3cccnc3)nn2)CC1 48139908 KPRLUKOGMDMVSM-UHFFFAOYSA-N 350.382 1.506 0 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0 50 FDAA CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C(=O)N(C(C)C)c2ccccc21 230093107 LLDXMDVEDYEZEE-PBHICJAKSA-N 372.469 1.199 0 50 FDAA CC(C)[C@@H](NC(=O)c1nn(CCC[C@@H](O)CF)c2ccccc12)C(N)=O 96024647 IEYDKWLGOBQFKU-IUODEOHRSA-N 364.421 1.387 0 50 FDAA in-vitro CC[C@H](O)Cn1nc(-c2ccncc2)nc1-c1ccccc1-c1nnn[nH]1 96179817 GHCOKFBTHNHFQK-ZDUSSCGKSA-N 362.397 1.958 0 50 FDAA CCc1nnc(CN2CCN(C)[C@@]3(CCC(=O)N(CC4CC4)CC3)C2)o1 230179302 FMTQFJYSVJTOMO-LJQANCHMSA-N 361.490 1.541 0 50 FDAA CC(C)C[C@@H]1CC(=O)N(CC(=O)N2CCN(C(=O)c3ccccc3)CC2)C1 95499077 RKFTYSSUAMTMFW-QGZVFWFLSA-N 371.481 1.866 0 50 FDAA O=C(c1ccc(Cn2cnnn2)cc1)N1CCN(C2CCSCC2)CC1 97578993 BXXKRGHNDPFGNC-UHFFFAOYSA-N 372.498 1.375 0 50 FDAA COc1ccc2c(c1)OC[C@]1(C(=O)O)CN(Cc3cccnc3N)C[C@H]21 95526707 RMDVTJHYIBIUNS-DNVCBOLYSA-N 355.394 1.735 0 50 FDAA Cn1cnnc1SCc1nc(CC(N)=O)nn1-c1cccc2c1CCC2 96132690 MBNKBAZAGIZOEQ-UHFFFAOYSA-N 369.454 1.205 0 50 FDAA CCc1nc(C)c(CC(=O)N2CCC3(CC2)OCCC[C@H]3OC)c(=O)[nH]1 95384019 FSJGHFWBGZVUJP-OAHLLOKOSA-N 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371.832 1.578 0 50 FDAA O=C([C@@H]1CCn2nccc2C1)N1CCC2(CC1)C(=O)Nc1ccccc12 1857727294 PFDUSGRNSSMOAK-CQSZACIVSA-N 350.422 1.958 0 50 FDAA Cc1ccn2ncc(C(=O)N[C@@H]3CCC(=O)N[C@H]3c3ccnn3C)c2c1 424115253 UQVNFMQRYRWCPE-CXAGYDPISA-N 352.398 1.126 0 50 FDAA CN1C(=O)CC[C@@H](C(=O)NCC(=O)O)[C@@H]1c1ccc(C(F)(F)F)cc1 237152117 BSAWZMDCWRGKMI-RISCZKNCSA-N 358.316 1.816 0 50 FDAA COC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1nc2c(cc1=O)CCCC2 334162409 SXSBGSSBBYVHSL-QGZVFWFLSA-N 369.421 1.023 0 50 FDAA O=C(O)[C@H]1CCCN1CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 238091100 BGAXDYRPWMJLAY-MRXNPFEDSA-N 365.861 1.533 0 50 FDAA NC(=O)C[C@H]1CCCN(C(=O)NCCc2nc3c(s2)CCCC3)C1 133542626 VIUKVBVXDILIDW-GFCCVEGCSA-N 350.488 1.861 0 50 FDAA CC(=O)c1cc(CC(=O)N2C[C@H](C(C)C)[C@@H](NS(C)(=O)=O)C2)cs1 253385077 RESJBMCAZHWPLN-KGLIPLIRSA-N 372.512 1.525 0 50 FDAA CO[C@@H]1C[C@@H](c2ncc(-c3cccnc3)[nH]2)N(C(=O)Cc2cc[nH]n2)C1 371269663 VPMYZMIOWHFWOD-ZBFHGGJFSA-N 352.398 1.726 0 50 FDAA O=C(O)[C@H]1CCCCN1C(=O)CS(=O)(=O)CCCc1ccccc1 262530419 IBBRQBDIZCPRGF-OAHLLOKOSA-N 353.440 1.500 0 50 FDAA CCOc1cc(S(=O)(=O)N2CC[C@H](C(=O)O)[C@H](O)C2)ccc1Cl 1704334227 GMAXCILTGBMMLR-CMPLNLGQSA-N 363.819 1.195 0 50 FDAA COc1ccccc1C/C(C)=C/C(=O)N1C[C@@H](N)[C@H](c2cn(C)cn2)C1 864343659 SUMXVGNDFHMEAP-RNWFHBDKSA-N 354.454 1.871 0 50 FDAA Cc1noc([C@@H]2CN(C3CN(C(=O)c4cc[nH]c4C4CC4)C3)CCO2)n1 952848899 NLHMZPVYRNZOTR-HNNXBMFYSA-N 357.414 1.481 0 50 FDAA O=C(NCC1=NOCC1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 1875296946 WACOMVVZIYDJNS-UHFFFAOYSA-N 369.418 1.119 0 50 FDAA CO[C@@](C)(CS(=O)(=O)NC(=O)c1ncc2ccccn12)c1ccccc1 1875362634 NNNWXJOEXOYTOM-SFHVURJKSA-N 373.434 1.956 0 50 FDAA C=CC(=O)N(CC)CC(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C1 884833295 DCHBUZUNPNSTDP-LSDHHAIUSA-N 365.474 1.736 0 50 FDAA Cc1nc2nnnn2c(C)c1CCC(=O)N1CCC[C@H](c2ccncn2)C1 2325702305 YOVWQIYVDFYZJY-AWEZNQCLSA-N 366.429 1.265 0 50 FDAA CCc1onc(C)c1CN1CC[C@]2(C1)c1ncn(C)c1CCN2C(C)=O 2325776811 BONRKHMDUGQUBJ-IBGZPJMESA-N 357.458 1.785 0 50 FDAA CC(C)CN1C[C@@H](CC(=O)N2Cc3n[nH]cc3[C@@H]2CO)OCC12CCC2 2325785257 MNSQVAIZJAAHSZ-PBHICJAKSA-N 362.474 1.455 0 50 FDAA C=CC(=O)N1CCC(C(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)CC1 2325882842 LXSZVQATKOPEFT-INIZCTEOSA-N 373.428 1.862 0 50 FDAA C=CC(=O)Nc1cccc(C(=O)N2CCN(C3CCOCC3)C(=O)C2)c1 2325887869 JRVHGODIXSATSX-UHFFFAOYSA-N 357.410 1.275 0 50 FDAA CCOc1ccc(N(CC(=O)NCc2ccncc2)S(C)(=O)=O)cc1 839890 APKBAYRXSUTFDO-UHFFFAOYSA-N 363.439 1.563 0 50 FDAA CCN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc2ccccc2c1 1051011 IVIPMPDLCUWJSR-UHFFFAOYSA-N 362.451 1.709 0 50 FDAA Nn1cnnc1S[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1 1115236 BDKOGRQYRYKVOL-STQMWFEESA-N 353.473 1.374 0 50 FDAA COCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 4553244 XYMISXVKAOWUKQ-UHFFFAOYSA-N 360.863 1.503 0 50 FDAA Cn1nc(C2CCN(C(=O)c3ccc[nH]3)CC2)n(Cc2ccccc2)c1=O 67772760 YYJWGFDGCLUGAH-UHFFFAOYSA-N 365.437 1.978 0 50 FDAA Cc1nccn1CC(=O)NCc1cccnc1N(C)CCc1ccccn1 67805317 MWSSPSVNRVKXKO-UHFFFAOYSA-N 364.453 1.977 0 50 FDAA CCn1c(CC2CCNCC2)nn(Cc2cccc(-n3cccn3)c2)c1=O 65370244 JHDAADLUUCKVJC-UHFFFAOYSA-N 366.469 1.841 0 50 FDAA COc1ccc(NC(=O)N2CCN(C(=O)CC3CCCCC3)CC2)nn1 328950710 CIJLTWCRXFMTNA-UHFFFAOYSA-N 361.446 2.132 0 50 FDAA CN(C)[C@@H]1C[C@@H](CO)N(C(=O)c2coc(COc3cccc(F)c3)n2)C1 67872607 NDSKEZZIKGNYGG-KGLIPLIRSA-N 363.389 1.530 0 50 FDAA Cn1ccnc1[C@@H](O)C1CCN(C(=O)Cc2ccc3c(c2)OCO3)CC1 124622982 RQCALKRUEDUNNE-SFHVURJKSA-N 357.410 1.664 0 50 FDAA Cc1cccc(=O)n1CCC(=O)NCc1cccnc1N1CCN(C)CC1 67868015 WRJQTDKXEWQWBN-UHFFFAOYSA-N 369.469 1.010 0 50 FDAA CCOc1ccc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OCC 1050160 FHXOVXVVJUDBST-UHFFFAOYSA-N 358.398 1.279 0 50 FDAA O=C(NCCc1ccccc1)[C@H]1CCCN(C2CCN(CCO)CC2)C1 71764732 BMDOIJVQFYNTMV-IBGZPJMESA-N 359.514 1.514 0 50 FDAA CCN1C[C@@]2(CCCN(S(=O)(=O)c3c(C)nn(C)c3C)C2)CCC1=O 77426207 ZJHFSWWHPFVCGW-QGZVFWFLSA-N 368.503 1.450 0 50 FDAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 5351018 PHECOESRCLEZGF-HOTGVXAUSA-N 374.437 1.951 0 50 FDAA COc1ccccc1[C@H]1CN(S(=O)(=O)N(C)C)[C@@H]2C3CCN(CC3)[C@H]12 72120702 MLYOBOGZJQUODO-KBAYOESNSA-N 365.499 1.364 0 50 FDAA O=C(NCCCCO)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71745436 RSPDGXUPHHJFJU-IBGZPJMESA-N 374.529 1.647 0 50 FDAA O=C(O)[C@@H]1CN(C(=O)/C=C/c2ccc(OCc3cccnc3)cc2)CCO1 328596402 NINTXKIIHORLQI-MOTZXUDYSA-N 368.389 1.986 0 50 FDAA O=C1CC[C@@]2(CCCN(C(=O)CCn3cc(Cl)cn3)C2)CN1CCO 77503480 CGOWFWMONVFUCJ-QGZVFWFLSA-N 368.865 1.150 0 50 FDAA COc1ccc(S(=O)(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)c(C)c1F 328636139 VKOISRNTJJIASJ-LBPRGKRZSA-N 368.434 1.543 0 50 FDAA C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)[C@@H]1CC[C@]2(O)C(=O)CO 34008766 ACSFOIGNUQUIGE-NUNAYTNTSA-N 364.482 1.862 0 50 FDAA OC1CCN(C[C@@H](O)COc2cccc(CN3CCSCC3)c2)CC1 11880093 OIVCQYBXSFOCPN-GOSISDBHSA-N 366.527 1.432 0 50 FDAA CS(=O)(=O)N1CCc2c(ncn(CCc3ccccc3Cl)c2=O)C1 328605870 POFCHJKAALLJIZ-UHFFFAOYSA-N 367.858 1.457 0 50 FDAA COCCc1noc(CN(C)C(=O)[C@@H]2Cc3ccccc3N2C(C)=O)n1 152712920 NCOYQCMDPYHCGV-HNNXBMFYSA-N 358.398 1.195 0 50 FDAA Cc1cc(C)n(-c2cccc(CN(CCO)[C@@H]3CCS(=O)(=O)C3)c2)n1 215741895 BNOMZQBTZLMMHJ-GOSISDBHSA-N 363.483 1.471 0 50 FDAA CC(=O)N1CCc2c(nc(-c3cccnc3)nc2NCCc2ncc[nH]2)C1 71524388 HCSUKVRGWQCRET-UHFFFAOYSA-N 363.425 1.821 0 50 FDAA COc1ccccc1N1CC[C@H](NC2(CO)Cc3ccccc3C2)C1=O 366081801 FJYQLOVGJLHMIC-KRWDZBQOSA-N 352.434 1.920 0 50 FDAA Cn1nc([C@@H]2CCCOC2)cc1NC(=O)C(=O)N1CCO[C@@H]2CCC[C@@H]21 366150289 CLKZWZALEMQJHX-VHDGCEQUSA-N 362.430 1.033 0 50 FDAA O=C(N[C@H](CN1CCOCC1)c1ccccc1)N1CC2(CCOCC2)C1 366179660 AOVLBLJDQIDZJT-GOSISDBHSA-N 359.470 1.882 0 50 FDAA CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCc3ccccc32)C1 72437269 YIKCHOFZDFARRY-NVXWUHKLSA-N 365.499 1.699 0 50 FDAA O=C(NC1CC1)[C@H]1CCCN(C2CCN(C(=O)c3ccc(F)cn3)CC2)C1 71776651 WVAXPZUEOXMHOS-AWEZNQCLSA-N 374.460 1.816 0 50 FDAA Cc1cc(CN(C)c2ncc(S(C)(=O)=O)c([C@@H]3CCCNC3)n2)n[nH]1 72454458 VTLDAPJQRIYHPV-GFCCVEGCSA-N 364.475 1.015 0 50 FDAA Cc1nc2c(c(N3CCN(C)[C@H](C)C3)n1)CCN(c1ncccn1)CC2 72424598 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C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(N4CCCNC4=O)CC3)n[nH]c21 1875393691 LHRLDKYSVBCKGJ-NEPJUHHUSA-N 361.446 1.452 0 50 FDAA NC(=O)c1cccc(C(=O)N[C@H]2CCC[C@H]2CN=c2ncc(F)c[nH]2)c1 1875307614 GDKDSUNVWSNCHZ-ZFWWWQNUSA-N 357.389 1.147 0 50 FDAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)NCc1cccnc1-n1ccnc1 1875314723 OKXYLEWTDRNPPS-OLZOCXBDSA-N 366.425 1.953 0 50 FDAA C[C@H](O)C(=O)N1CC[C@@H](CN(C)C(=O)c2cc(-n3cccc3)ccn2)C1 1875358153 LMKCJCIUAGGOAT-GJZGRUSLSA-N 356.426 1.174 0 50 FDAA C=CC(=O)NCC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 1875371155 QZHIAPLZHAIOPY-CYBMUJFWSA-N 353.216 1.651 0 50 FDAA COCCn1nc2c(c1C(=O)N1CC(O)(C(C)C)C1)C[C@H](C)O[C@@H]2C 1875314794 TVYDMTXPXGQGGA-QWHCGFSZSA-N 351.447 1.395 0 50 FDAA O=C(NCc1cccnc1N1CCC[C@H](O)C1)c1n[nH]c2ccccc12 12317613 AETGRDOYGGRGHJ-AWEZNQCLSA-N 351.410 1.849 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1ccc(-n2ccnc2)cc1 2325785472 ANKDOZGEHXRUPT-ZTFGCOKTSA-N 351.410 1.638 0 50 FDAA COc1ccc([C@@H]2SCCN2C(=O)CNC(=O)c2ccncc2)cc1O 2325803078 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1.180 0 50 FDAA CN1CCC[C@@]2(CCN(C(=O)CCc3nc(-c4ccncc4)no3)C2)C1=O 67955858 ZENLARMBJGEOPS-IBGZPJMESA-N 369.425 1.535 0 50 FDAA CC(C)(c1nc(-c2ccc(S(C)(=O)=O)cc2)no1)S(=O)(=O)C1CC1 349682152 BUFQRFRSRFLYTL-UHFFFAOYSA-N 370.452 1.952 0 50 FDAA COC(=O)c1cc2n(n1)CCCN(C(=O)c1cccc3[nH]c(C)nc13)C2 67954256 YULVUWDOUOZOFA-UHFFFAOYSA-N 353.382 1.901 0 50 FDAA CCn1ncnc1[C@@H](C)NC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 65375133 GVVOCXMHPRTMQN-LLVKDONJSA-N 351.432 1.053 0 50 FDAA Nc1ncncc1-c1noc([C@@H]2CCCN2S(=O)(=O)c2ccccc2)n1 350214999 MACBMMLBQITQMR-ZDUSSCGKSA-N 372.410 1.635 0 50 FDAA CCc1c(C)nn(CC(=O)N2CCC[C@@H](c3n[nH]c(=O)n3CC)C2)c1C 67458641 GJKHJFJIZKHVTB-CQSZACIVSA-N 360.462 1.373 0 50 FDAA CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3C2)CC1 171560608 OOXJRRGIUMNJJY-KRWDZBQOSA-N 359.470 1.250 0 50 FDAA CCCNC(=O)c1nn(CC)cc1NC(=O)Cn1cc(Cl)c(C)n1 2793482 JDEREAPHFGOLIU-UHFFFAOYSA-N 352.826 1.840 0 50 FDAA Cc1cc(N2CCN(C(=O)CSc3nnc(N)s3)CC2)cc(C)n1 215953774 MVMBTXJHCLHZJM-UHFFFAOYSA-N 364.500 1.573 0 50 FDAA CC[C@H](OC)C(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1 71765238 KEQKZTGZFODQPS-INIZCTEOSA-N 355.442 1.914 0 50 FDAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@H]2[C@@]2(Br)C=C[C@@H]12 216387795 YRQQPLLKJDBYHM-WFGGJUAMSA-N 358.195 1.786 0 50 FDAA O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1[nH]nc2c1CCCC2 126578881 VYJOBTGMJNOTAA-UHFFFAOYSA-N 353.426 1.718 0 50 FDAA O=C(c1ccc2c(c1)OCO2)[C@H]1CCCN(c2cc(NCCO)ncn2)C1 71552083 VUQCILNAEBLAQV-AWEZNQCLSA-N 370.409 1.709 0 50 FDAA Cc1ccnc(N2CCN(C(=O)CCc3cc4n(n3)CCCNC4)CC2)c1 72428188 PONNVUFRWKVNGW-UHFFFAOYSA-N 368.485 1.361 0 50 FDAA CC(C)CCN1CCNC(=O)[C@@H]1CC(=O)N(Cc1nccn1C)C1CC1 72151653 UMAFFTMZVPOALC-INIZCTEOSA-N 361.490 1.148 0 50 FDAA O=C(c1c[nH]nc1-n1cnnn1)N1CCC[C@@H](COc2ccc(F)cc2)C1 72426728 MPPOLYROXCUNJR-GFCCVEGCSA-N 371.376 1.456 0 50 FDAA O=C(COc1ccc(CN2CC(N3CCCCC3)C2)cc1)N1CCOCC1 216532505 AONKKXHQWICOPC-UHFFFAOYSA-N 373.497 1.594 0 50 FDAA Cn1cc(NC(=O)[C@@H](NC(N)=O)C(C)(C)C)cc(Br)c1=O 283517400 SHDBPCKCRDXKRQ-SECBINFHSA-N 359.224 1.169 0 50 FDAA COc1ccc(C(=O)NC[C@H](c2cccnc2)N2CCOCC2)c(OC)n1 216085804 CQUSKIOFYALZAJ-MRXNPFEDSA-N 372.425 1.297 0 50 FDAA O=C1CC[C@H]2CN(Cc3ccc4nonc4c3)CC[C@H]2N1CCCCO 72457155 ZLIHHINOAOEBRE-MAUKXSAKSA-N 358.442 1.808 0 50 FDAA Cc1cc(N2CCN(C(=O)c3cnc4ccccn4c3=O)CC2)cc(C)n1 77439071 CRYVMAWANCXRMZ-UHFFFAOYSA-N 363.421 1.669 0 50 FDAA O=C1CN(c2ccc(C(=O)N[C@H]3CC[C@H]3NC3CCCC3)cc2)C(=O)N1 72433337 NHEBSHURJPSXAL-CVEARBPZSA-N 356.426 1.536 0 50 FDAA Cc1n[nH]c(C)c1CC(=O)N[C@@H]1COCC[C@@H]1OCc1cscn1 220273997 JXKMDJZCGYUCNI-CABCVRRESA-N 350.444 1.516 0 50 FDAA CC(C)NC(=O)c1ccccc1-c1cccc(C(=O)NCC[C@@H](O)CO)c1 426534323 AYCLWLJRSRTJRZ-QGZVFWFLSA-N 370.449 1.965 0 50 FDAA O=C1CN(C(=O)c2cccc(-c3ccc(N4CCOCC4)cc3)c2)CCN1 426734142 QJPFFORJIRZQKI-UHFFFAOYSA-N 365.433 1.762 0 50 FDAA Cc1nc(CCNc2cc(C3CC(O)C3)nc(N)n2)nc2c1CCCC2 223916977 FLSAYIWDQBZNPB-UHFFFAOYSA-N 354.458 1.929 0 50 FDAA CN1C[C@H](C(=O)NCc2cc3n(n2)CCCN(C2CCCCC2)C3)CC1=O 82171064 CEQWFHMJJZAAAP-OAHLLOKOSA-N 373.501 1.516 0 50 FDAA Cc1c(C(=O)N2CC[C@H](C(=O)O)C2)nnn1-c1cccc2cccnc12 178259719 HHPOHCIOABYYFL-ZDUSSCGKSA-N 351.366 1.671 0 50 FDAA CCn1c(Cn2cncn2)nnc1C1CCN(c2nccc(NC)n2)CC1 91391361 FRUMZPAHQALVAP-UHFFFAOYSA-N 368.449 1.154 0 50 FDAA COCCN1CCN(CCCc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 91873273 KAXPCEHPFZNXGO-ZWKOTPCHSA-N 352.500 1.049 0 50 FDAA O=C(N1CCOCC1)N1CCC[C@H](c2nccn2Cc2ccncc2)C1 91829715 JAOSPWOXDFGIJD-KRWDZBQOSA-N 355.442 1.958 0 50 FDAA CCc1nn(C)c(Cl)c1CN1CC[C@]2(CCCN(CCO)C2=O)C1 91830344 FDTQODHUBCXYNK-QGZVFWFLSA-N 354.882 1.443 0 50 FDAA COc1cccc2c1OC[C@H](CNC(=O)c1nc3nc(C)cc(C)n3n1)C2 95531461 BAWWBTIPSXFKON-ZDUSSCGKSA-N 367.409 1.731 0 50 FDAA O=C(NCCn1cnnc1)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O 91433739 UNCRREBGOALGOU-UHFFFAOYSA-N 368.441 1.259 0 50 FDAA Cc1cccc([C@@H](C(=O)N2CCN(Cc3noc(C)n3)CC2)N(C)C)c1 92022608 AZOGPHVIMAFAQO-SFHVURJKSA-N 357.458 1.634 0 50 FDAA CSCCCNC(=O)c1cccc(S(=O)(=O)NC2CCNCC2)c1 95385959 KAXPNIPMVLXOLW-UHFFFAOYSA-N 371.528 1.200 0 50 FDAA 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CC(C)CNC(=O)c1cccc(NC(=O)C[C@@H]2C(=O)N(C)C(=O)N2C)c1 952989764 UCFOLAKHTAHGNF-CQSZACIVSA-N 360.414 1.293 0 50 FDAA Cc1cc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc2sc(N)nc12 952966059 VKTNXFVVSVVCRJ-JTQLQIEISA-N 354.457 1.549 0 50 FDAA O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1ccccc1)CCN2Cc1cncs1 1565510858 CUGJUSRPRWSJJF-DLBZAZTESA-N 363.508 1.627 0 50 FDAA COCCc1noc(CN2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccn2)C3)n1 1565506243 QSMBHIMPMZGQHR-GJZGRUSLSA-N 371.441 1.390 0 50 FDAA CN(C)C(=O)N1CCN(C(=O)c2ncn(-c3ccccc3)n2)C(C)(C)C1 408125559 BFSDNSJZGXOXBL-UHFFFAOYSA-N 356.430 1.485 0 50 FDAA C[C@@H](c1nnnn1C1CC1)N1CCN(Cc2nccn2C(F)F)CC1 192112793 HWZQCBUECTXSRN-NSHDSACASA-N 352.393 1.478 0 50 FDAA COCc1nc2n(n1)C[C@H](NC(=O)c1csc(C(F)(F)F)n1)CC2 193514692 QIPLDKIZEBBGOD-SSDOTTSWSA-N 361.349 1.645 0 50 FDAA O=C(CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)NC1CCCCC1 194829235 XHFUGXYTIDJZNM-KRWDZBQOSA-N 357.454 1.856 0 50 FDAA O=C(c1ccncc1)N1CCC(N2CCN(CC3CC3)[C@@H](CCO)C2)CC1 1506417568 ANIFLAWYGUTAKD-FQEVSTJZSA-N 372.513 1.465 0 50 FDAA CN(C)c1nc2c(c(N3CCN(CC4CC4)[C@@H](CCO)C3)n1)CCCC2 1529167757 OCTYVZVTJFZVCK-INIZCTEOSA-N 359.518 1.704 0 50 FDAA Nc1nc(Sc2ccc(F)cc2)cc(N2CC[C@@H](O)[C@@H](CO)C2)n1 1529101885 QMHNUIZKUWHIKF-ZWNOBZJWSA-N 350.419 1.529 0 50 FDAA O=C(c1cc(-c2ccccc2O)[nH]n1)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704341020 OCUQACKUEBQVBG-KZULUSFZSA-N 365.393 1.248 0 50 FDAA Cc1cc(C[C@@H]2CN(C(=O)c3csc(CN(C)C)n3)C[C@@H]2O)on1 1704298815 OAXYISFJVDXCMV-RISCZKNCSA-N 350.444 1.177 0 50 FDAA O=C(NCc1cccn2nccc12)c1cn(CC[C@@H]2CCCCN2)nn1 1772816569 VPRDRRJKVUPMOC-HNNXBMFYSA-N 353.430 1.388 0 50 FDAA CCCNS(=O)(=O)c1cc(N2CCCCS2(=O)=O)ccc1OC 12004509 ZKJMBMPSQBSWNQ-UHFFFAOYSA-N 362.473 1.314 0 50 FDAA COCCN1C[C@@H](C(=O)N2CCN(c3cc(C)nc(C)c3)CC2)CCC1=O 12431164 JFFFRHCSXATWFQ-KRWDZBQOSA-N 374.485 1.232 0 50 FDAA O=C(NCCN1CCOC1=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 12586753 QNMOCDVMPSPBCL-OAHLLOKOSA-N 351.447 1.374 0 50 FDAA COc1ccc(S(=O)(=O)NCc2ccccn2)cc1C(=O)NC(C)C 16661347 PVSRWVAJVXBUSU-UHFFFAOYSA-N 363.439 1.707 0 50 FDAA Cc1cc(-n2cccn2)nc(N2CC[C@@H](C3CC3)[C@@H]2c2nnc(O)n2C)n1 1857527451 LKVLCEHIAMBIBR-DZGCQCFKSA-N 366.429 1.782 0 50 FDAA O=C(N[C@@H]1CCCN(Cc2cccnc2)C1)c1cc(N2CCOCC2)no1 1857696313 VPTCTNQSRODGDD-MRXNPFEDSA-N 371.441 1.301 0 50 FDAA N[C@@H]1CC[C@H](C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)C[C@H]1O 1857722256 TYFWRDKQGFJBEY-DFQSSKMNSA-N 357.498 1.176 0 50 FDAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)CCc1cccnc1 247847276 HMYFCXOKUOZXRF-SJORKVTESA-N 365.437 1.567 0 50 FDAA CN(C)c1ncc(CN2C[C@H](c3ccc4c(c3)OCO4)[C@@H](C(=O)O)C2)cn1 248111096 KCCKVTMYNPCUCP-CABCVRRESA-N 370.409 1.572 0 50 FDAA CCCS(=O)(=O)N1CCCC[C@@H]1c1nc(C2(OC)CCOCC2)no1 904820314 MMMCQVVREUIPFB-CYBMUJFWSA-N 373.475 1.989 0 50 FDAA CC(C)c1cc(C(=O)N2CCC[C@]3(CCc4cnc(N)nc43)C2)nc(N)n1 1704344678 VPPSJSUOURCUAY-IBGZPJMESA-N 367.457 1.675 0 50 FDAA COC(=O)[C@H]1CCn2c(nnc2[C@@H]2COCCN2C(=O)OC(C)(C)C)C1 865214185 OPZPORDFNZMBAT-RYUDHWBXSA-N 366.418 1.322 0 50 FDAA CS(=O)(=O)NC(=O)c1cnc2sc(Cc3ccccc3)cn2c1=O 1875390590 HSMQXVMQOBYILB-UHFFFAOYSA-N 363.420 1.036 0 50 FDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3ccc(N4CCNC4=O)cc3)n[nH]c21 1875395431 XLTBFLZUYBWVHV-NEPJUHHUSA-N 369.425 1.892 0 50 FDAA CCOc1ccc(-n2ncc(C(=O)NCC/C=C/C(=O)OC)c2C)nn1 1875312089 SHLUVVILLAREDM-FNORWQNLSA-N 359.386 1.219 0 50 FDAA C=CC(=O)NCC(=O)Nc1ccc(Oc2ccnc(C(=O)OC)c2)cc1 1875371063 NPELQMZBISMUCX-UHFFFAOYSA-N 355.350 1.901 0 50 FDAA CC[C@]1(C)C[C@@H]1C(=O)N1C[C@H](NC(=O)[C@@H]2Cc3nnc(C)n3C2)C[C@H]1C 1875407994 MBWOJPLDWCZPDZ-CUCGDYHCSA-N 359.474 1.301 0 50 FDAA Cc1[nH]nc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C23CCC3)c1C 1875408079 NVZLJNBEBPFULN-BARDWOONSA-N 358.442 1.172 0 50 FDAA Cc1cc(C(=O)NC[C@H](NC(=O)c2cc(C)nc(O)c2)C2CC2)cc(O)n1 1319985435 WNRFSYBQRTVYJX-HNNXBMFYSA-N 370.409 1.443 0 50 FDAA C[C@@H]1Cc2cccc(S(=O)(=O)N3CCNC[C@H]3c3ccncc3)c2O1 2325774224 RPZNBXDSRSXWII-CJNGLKHVSA-N 359.451 1.740 0 50 FDAA C[C@H](CN(C)C(=O)c1ccsn1)NC(=O)C12CCCN(CCC1)C2 2325879410 UKZXBMUVTNYLLL-CYBMUJFWSA-N 350.488 1.596 0 50 FDAA C=CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)C1 2325888755 WRCLMUFXDLMAMU-UKRRQHHQSA-N 359.401 1.472 0 50 FDAA C[C@]1(O)CCOC2(CCN(C(=O)c3cc(F)ccc3OCCN)CC2)C1 2356139173 NRHBDPBUOVWTEQ-SFHVURJKSA-N 366.433 1.699 0 50 FDAA Nc1nonc1-c1nc2ccccc2n1Cc1ccc(-c2nn[nH]n2)cc1 4741719 BPRLVEPBKUKWKS-UHFFFAOYSA-N 359.353 1.897 0 50 FDAA COc1ccc(CN2CCN(C(=O)c3cn4cccnc4n3)CC2=O)cc1 20775068 YVMBGMDMVAHLNP-UHFFFAOYSA-N 365.393 1.223 0 50 FDAA O=C(NCc1coc(-c2ccccc2)n1)c1cn(C[C@H]2CCCNC2)nn1 65388154 WSRWAIRUYPDWSG-AWEZNQCLSA-N 366.425 1.863 0 50 FDAA COc1cccc(SCC(=O)N2CCc3c(c(C(=O)O)nn3C)C2)c1 67743812 UKYBKPMJNZQMBD-UHFFFAOYSA-N 361.423 1.804 0 50 FDAA C[C@H](C(=O)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1)n1ccnc1 67921361 QHXUQKBYCNMFDI-CQSZACIVSA-N 366.425 1.724 0 50 FDAA CN(C)CCNC(=O)[C@H]1C[C@@](C)(C(=O)O)N(C)[C@H]1c1ccccc1Cl 67895270 QBVSAXHLNYPHCP-YEWWUXTCSA-N 367.877 1.854 0 50 FDAA CC(C)Nc1ncc(C(=O)NCc2cccnc2N2CCN(C)CC2)cn1 67758805 SKNFTMLFTBKQKG-UHFFFAOYSA-N 369.473 1.374 0 50 FDAA C[C@@H]1CN(CC2CCN(c3ccc(S(N)(=O)=O)cn3)CC2)C[C@@H](C)O1 253430656 KJJLCQWUBGEGEE-ZIAGYGMSSA-N 368.503 1.055 0 50 FDAA Cc1cccc2[nH]c([C@H]3CCCN(C(=O)c4c[nH]c(=O)[nH]c4=O)C3)nc12 77516776 SZRBPZANAQFIGU-NSHDSACASA-N 353.382 1.268 0 50 FDAA CN1CCN(C(=O)c2scc3c2CCCC3)[C@H]2CS(=O)(=O)C[C@H]21 72476564 VTMNDCGWCPSPGR-KGLIPLIRSA-N 354.497 1.180 0 50 FDAA CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)c2cncc(F)c2)cn1 328626073 LICHRBBOLYQFHZ-AWEZNQCLSA-N 352.391 1.049 0 50 FDAA C[C@@H]1NC(=O)N[C@H]1CCCCCC(=O)N[C@@H](Cc1ccccc1)C(N)=O 6667800 KDYSUUGESHCDGX-BPUTZDHNSA-N 360.458 1.220 0 50 FDAA O=C(O)[C@@H]1CC2(CCN(c3ncnc4[nH]cnc34)CC2)CN1C(=O)C1CC1 72456903 GPRFCCYQROCEBD-LBPRGKRZSA-N 370.413 1.035 0 50 FDAA COc1ccc2c(c1)[C@H](C(=O)N1CCC3(CC1)CNC(=O)C3)CC(=O)N2 77426102 GPDBIALNPRVGPU-CQSZACIVSA-N 357.410 1.250 0 50 FDAA Cc1[nH]c2ccccc2c1C(=O)N1CCN([C@H]2CCCCNC2=O)CC1 365920447 KUFKAKCWALWXJW-KRWDZBQOSA-N 354.454 1.903 0 50 FDAA CN(C)C[C@@]1(O)CCCN(C(=O)c2coc(CN3CCOCC3)c2)CC1 72144144 WHFGVCOZLHHCDC-LJQANCHMSA-N 365.474 1.031 0 50 FDAA O=C1CN(C(=O)N2CCS(=O)(=O)CC2)[C@H]2CCCc3cccc(c32)N1 368028367 ZUIOSBOJDGDTIU-AWEZNQCLSA-N 363.439 1.169 0 50 FDAA O=C1NCCN(C(=O)Cc2ccc3c(c2)OCO3)[C@@H]1c1ccccc1F 368266859 YPPZJXYGUBJNPT-GOSISDBHSA-N 356.353 1.797 0 50 FDAA COc1cccc(-c2ccc(C(=O)NCCS(=O)(=O)N(C)C)o2)c1 215998217 KEXTZWSHKZXPLU-UHFFFAOYSA-N 352.412 1.576 0 50 FDAA Cn1cc(-c2cncc(C(=O)N3CCO[C@H](Cn4cccn4)C3)c2)cn1 371632197 GKRFAPOQACTCGE-KRWDZBQOSA-N 352.398 1.220 0 50 FDAA CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@H](C(=O)O)C1 236795647 ZLBXJJOYJVFMRP-GUYCJALGSA-N 371.437 1.784 0 50 FDAA CN(Cc1csc(-c2ccccc2)n1)C(=O)c1cc(=O)n(C)c(=O)n1C 72479766 NCVQFJBIQMHZKM-UHFFFAOYSA-N 370.434 1.480 0 50 FDAA O=C(O)C[C@H]1CN(C(=O)CCc2nc(-c3cccs3)no2)CCO1 262426671 HWHWAMRLLSCWEF-JTQLQIEISA-N 351.384 1.433 0 50 FDAA Cc1cccc(OC2(C(=O)O)CCN(c3cncc(C(N)=O)n3)CC2)c1 72473631 UVMYDPBODMUVOQ-UHFFFAOYSA-N 356.382 1.387 0 50 FDAA COc1cc(OC)c(CN2CCN[C@@H](C(=O)N3CCCC3)C2)c(OC)c1 72152553 RQUYAZJMLNTREO-MRXNPFEDSA-N 363.458 1.109 0 50 FDAA O=C(CN1CCC[C@@H]1c1ncc[nH]1)NC(=O)Nc1ccc2c(c1)OCO2 378434735 LULJFJBBDFKBBD-GFCCVEGCSA-N 357.370 1.624 0 50 FDAA Cc1ccc(CN2CCC(c3nnc(CN(C)CCO)n3C)CC2)cc1 77388987 MLRXJRIOHNLUDT-UHFFFAOYSA-N 357.502 1.927 0 50 FDAA Cc1ccn(CC(=O)NCc2cc3n(n2)CCCN(C(=O)C2CCC2)C3)n1 82087373 ZHVSZFXPVMODPZ-UHFFFAOYSA-N 370.457 1.237 0 50 FDAA Cn1cc(N2CCC[C@@H](N3C(=O)N[C@@H](Cc4ccccc4)C3=O)C2)cn1 241132951 JNNBLQDFAIDWRM-WBVHZDCISA-N 353.426 1.552 0 50 FDAA Cc1cc(C)n2nc(C(=O)N3CCC(OC[C@H]4CCCCO4)CC3)nc2n1 175019403 AWJZRNNFKDVTIY-MRXNPFEDSA-N 373.457 1.931 0 50 FDAA O=C(O)CO[C@@H]1COCC[C@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1 220190759 GOBHRSVKPJFIJO-CHWSQXEVSA-N 362.209 1.911 0 50 FDAA O=C(c1cc(-c2ccsc2)n[nH]1)N1CCN(CCn2cncn2)CC1 82127180 BUAGIXMCODGBQB-UHFFFAOYSA-N 357.443 1.188 0 50 FDAA CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1 84708455 RXRZPHQBTHQXSV-UHFFFAOYSA-N 364.406 1.589 0 50 FDAA in-vitro Cc1nccn1CCC(=O)N1CCC[C@]2(CCC(=O)N(CCCO)C2)C1 82161350 RCHZMYMDAOCCCA-IBGZPJMESA-N 362.474 1.195 0 50 FDAA CN1CC(=O)N(CC(=O)NCC[C@@H](c2ccc(F)cc2)c2ccco2)C1=O 426535297 YFNBLMIAQORDCR-HNNXBMFYSA-N 373.384 1.951 0 50 FDAA O=C1NCCN(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(F)c1 20820180 DOSLORKNDIEYCG-QGZVFWFLSA-N 356.353 1.910 0 50 FDAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(CCn1cnc3ccccc31)CC2 95352564 MIICHUDODWWYGD-AWEZNQCLSA-N 356.426 1.434 0 50 FDAA O=C(c1ccc(Cl)c(NC(=O)N2CCOC[C@@H]2CO)c1)N1CCCC1 95510736 ZHEXPOXQIYQJQC-ZDUSSCGKSA-N 367.833 1.801 0 50 FDAA CN1CCC[C@@H](Nc2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)C1 96136199 WTNCLSKIPXKKNV-CYBMUJFWSA-N 363.462 1.182 0 50 FDAA Cc1nc([C@H]2CCCN(C(=O)c3ccccc3-n3cncn3)C2)cc(=O)[nH]1 91487177 SUKOBPHWKPQMGK-AWEZNQCLSA-N 364.409 1.679 0 50 FDAA NC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)NCCc2ccccc2)C1 95498002 ATTBFDDDCXUVTN-INIZCTEOSA-N 355.442 1.500 0 50 FDAA Cc1cc(CC(=O)N2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)on1 95356679 VPCGYZACVKEMTQ-AWEZNQCLSA-N 369.429 1.305 0 50 FDAA CN(Cc1nc(-c2ccncc2)no1)c1nccc(N2CCC(O)CC2)n1 96162794 ZOGVPBRMNARMIY-UHFFFAOYSA-N 367.413 1.519 0 50 FDAA Cc1ccc(CN2CCCn3nc(CCC(=O)NCCO)cc3C2)c(C)c1 91411016 DDRCGCOZLKGCGV-UHFFFAOYSA-N 370.497 1.947 0 50 FDAA COCCc1nc(CC2CCS(=O)(=O)CC2)n(-c2ccc(F)cc2)n1 96163833 GZGIXUYONGYJLI-UHFFFAOYSA-N 367.446 1.963 0 50 FDAA Cn1nc2n(c1=O)CCN(C(=O)c1cc(Br)cnc1Cl)C2 162538478 OCRRVUFPHWCTAA-UHFFFAOYSA-N 372.610 1.049 0 50 FDAA CSCCN(C)S(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCN2)c1 97610016 IDDJJYXIDSFLLL-AWEZNQCLSA-N 371.528 1.152 0 50 FDAA CN(C)C(=O)N1C[C@@H]2CN(C/C=C/c3ccc(F)cc3)C[C@]2(C(=O)O)C1 96164894 HZUMIMSROVIXCN-AABORUILSA-N 361.417 1.839 0 50 FDAA Cc1cc2c(N3CCC(NCCc4ncnn4C)CC3)ncnc2s1 96149791 RPPCDLZBLOSHDX-UHFFFAOYSA-N 357.487 1.929 0 50 FDAA NC(=O)[C@H]1CCCN(CCn2cc(-c3ccc(F)c(Cl)c3)nn2)C1 91587136 TZBRXBCHRQUZGS-LBPRGKRZSA-N 351.813 1.935 0 50 FDAA COc1ccc2c(c1)OC[C@]1(C(=O)O)CN(CC(=O)N3CCCCC3)C[C@H]21 95390710 QFWHHULYYYJMJX-OXQOHEQNSA-N 374.437 1.570 0 50 FDAA O=C(CCN1CCCCCCC1)N[C@@H]1CCN(Cc2cccnc2)C[C@H]1O 244795861 ROSDZJGPERSGTO-WOJBJXKFSA-N 374.529 1.789 0 50 FDAA Cc1c(C(=O)NCCS(=O)(=O)CC(C)C)sc2ncnc(O)c12 253537217 DAOZQBOYFZOYKK-UHFFFAOYSA-N 357.457 1.506 0 50 FDAA COCc1nc(NCCNC(=O)c2cccnc2)cc([C@H]2C[C@@H](N)C2)n1 252551044 TVZGDJNYOCUUNB-OKILXGFUSA-N 356.430 1.065 0 50 FDAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccn(CC(=O)O)n2)CC1=O 299751184 PUVUUBRKCCRSOF-OCCSQVGLSA-N 356.382 1.516 0 50 FDAA Cc1nc2nc(C)c(CCC(=O)N[C@@H](CO)Cc3ccccc3)c(O)n2n1 252539655 OGPOUODLLDDSDG-OAHLLOKOSA-N 369.425 1.099 0 50 FDAA CN(C)c1cc(-c2ccc(C(=O)N3CCCC[C@@H]3CO)cc2)nc(N)n1 534581157 VIHMAFUDINQHKB-OAHLLOKOSA-N 355.442 1.779 0 50 FDAA CCOc1ccc([C@H]2NC(=O)N(Cc3nnc(C)o3)C3=C2C(=O)OC3)cc1 263616973 LKVHKSJMEAOJCR-MRXNPFEDSA-N 370.365 1.854 0 50 FDAA COc1ncc(F)c2nc(S(=O)(=O)Nc3c(F)cccc3F)nn12 38276325 QZXATCCPQKOEIH-UHFFFAOYSA-N 359.289 1.351 0 50 FDAA biogenic,in-vitro CC(C)NC(=O)c1ccc(NC(=O)c2cn(C[C@@H]3CCCNC3)nn2)cc1 952975246 OQQOMFBZHCZCBB-CQSZACIVSA-N 370.457 1.668 0 50 FDAA COc1nccnc1N1CCC[C@@H](CNC(=O)Cc2csc(C)n2)C1 952964176 MYPSWZWZDGTZEW-ZDUSSCGKSA-N 361.471 1.825 0 50 FDAA CN1CCN(CC2(CNC(=O)c3nnc(O)c4ccccc34)CC2)CC1 952984477 UNHMTZDHCSAPSU-UHFFFAOYSA-N 355.442 1.093 0 50 FDAA Cc1ncncc1C(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1ccncc1)C2 1565511297 CZXKSUHHPHAUNN-ZBFHGGJFSA-N 351.410 1.557 0 50 FDAA CC(C)[C@H]1CN(CCOc2ccc(F)cc2)C[C@@H]1NS(=O)(=O)N(C)C 1565526879 HMUYGAPGGAAWAZ-SJORKVTESA-N 373.494 1.557 0 50 FDAA C[C@H]1CN(C(=O)C2CCN(C3CCOCC3)CC2)C[C@]1(O)C1CCC1 1565528505 PWZVNXXJXANUHE-MGPUTAFESA-N 350.503 1.887 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(OC)o2)CN1Cc1cccnc1 91997209 SQHZXSJDEISGPS-GJZGRUSLSA-N 372.425 1.192 0 50 FDAA O=C(O)[C@H]1COCCN1C(=O)c1cc2cc(Br)ccc2[nH]1 268978330 LAIRXNQAHRQHSB-GFCCVEGCSA-N 353.172 1.856 0 50 FDAA Cc1cccc(C)c1OCC(=O)N1CC[C@@H](N(C)Cc2nccc(N)n2)C1 276192583 CGWSMBVRMUZODO-MRXNPFEDSA-N 369.469 1.787 0 50 FDAA COc1ccc(CCS(=O)(=O)NC[C@@H](C(C)C)N2CCOCC2)cc1 170603709 CVTHOHVNRRBYCE-SFHVURJKSA-N 370.515 1.514 0 50 FDAA CC(C)c1nnc(CNc2cc(S(=O)(=O)N3CCCC3)ccn2)n1C 279324597 GPSFGKQSLHLTSJ-UHFFFAOYSA-N 364.475 1.730 0 50 FDAA CC(C)c1cccc2c1CCN(S(=O)(=O)c1cc(C(N)=O)n(C)c1)C2 188666391 JOQJPFZRDFRYDO-UHFFFAOYSA-N 361.467 1.994 0 50 FDAA O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)Cc1cn2ccccc2n1 192570230 ALDUKCPRBTWCMX-ZDUSSCGKSA-N 355.423 1.963 0 50 FDAA COC[C@@H]1CCCN(S(=O)(=O)NCc2nc(C3CCCCC3)no2)C1 1506415300 ANYZLIRIENMIMH-CYBMUJFWSA-N 372.491 1.810 0 50 FDAA CN1CCCC[C@@H]1C(=O)N1CCCN(Cc2ccccc2C(=O)O)CC1 1529090426 IPVIDNDCEMELEJ-GOSISDBHSA-N 359.470 1.903 0 50 FDAA Cn1cccc(C(=O)N2CCCN(C(=O)c3ccc(Cl)o3)CC2)c1=O 1704327857 IJQHBTKDZZQBQC-UHFFFAOYSA-N 363.801 1.620 0 50 FDAA O=C1NC(=O)[C@H](CCC(=O)N2CCC3(CC2)OCCc2sccc23)N1 1704302486 MSPLMNKCFYEJFE-LBPRGKRZSA-N 363.439 1.127 0 50 FDAA Cc1ccc(CCC(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)c(C)c1 1704340824 NBYVDIITTATPGY-DLBZAZTESA-N 368.499 1.259 0 50 FDAA COc1nccnc1N1CCCN(C(=O)COCc2ccccc2)CC1 1772814865 RVQUVOOKDMOWCK-UHFFFAOYSA-N 356.426 1.741 0 50 FDAA CCc1noc(CN2CCCN(C(=O)c3cccc(OC)c3OC)CC2)n1 1772709041 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FDAA Nc1nc(CN2CCN(c3ccccn3)CC2)nc(Nc2ccccc2)n1 3765403 RBUVCFDMCDBVCD-UHFFFAOYSA-N 362.441 1.915 0 50 FDAA CCn1c(=O)c2c(nc3n(-c4ccc(F)cc4)c(C)c(C)n23)n(C)c1=O 4250835 GGAYJEZEECYTFP-UHFFFAOYSA-N 355.373 1.914 0 50 FDAA O=C(NCCCNC(=O)c1ccc(Br)o1)c1cccnc1 4855857 OYUCWGLIIGCBJU-UHFFFAOYSA-N 352.188 1.987 0 50 FDAA COCCn1c(=O)n(CCn2nc(C)cc2C)c2cc(C(=O)O)ccc21 55254404 QMCJKBZTZICITN-UHFFFAOYSA-N 358.398 1.661 0 50 FDAA CCN1CCNC(=O)[C@H]1CC(=O)Nc1cc(C)nn1Cc1cccc(C)c1 55073863 FOVXBZGMZKNMDQ-QGZVFWFLSA-N 369.469 1.697 0 50 FDAA O=C(Nc1cccc2[nH]ccc12)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 170621926 GPOQLUJXHASKSS-NSHDSACASA-N 374.422 1.272 0 50 FDAA NC(=O)c1cccnc1N1CCn2nc(C(=O)Nc3ccccc3)cc2C1 65526459 IVEWZCZGURZJMW-UHFFFAOYSA-N 362.393 1.650 0 50 FDAA CNS(=O)(=O)c1ccc([C@@H]2CC(=O)Nc3cc(O)c(OC)cc32)cc1 65493562 PVTGGQGOMTYKKX-LBPRGKRZSA-N 362.407 1.783 0 50 FDAA COc1ccc(OCc2nn3c(CN4CCOCC4)nnc3s2)cc1 67629370 JJXDQRWNYJATJN-UHFFFAOYSA-N 361.427 1.606 0 50 FDAA O[C@H]1CN(c2ncc3c(n2)CCN3c2ccccc2)C[C@@H]1N1CCCC1 65419911 DBJIRWOWNIBFMW-OALUTQOASA-N 351.454 1.816 0 50 FDAA CCCn1ncc(CN2CC3(CCN(C(C)=O)CC3)C[C@H]2C(=O)O)c1C 72475245 DANGXJPHSJMHJR-KRWDZBQOSA-N 362.474 1.889 0 50 FDAA O=C1[C@@H]2CN(Cc3nc4ccccc4[nH]3)C[C@]2(C(=O)O)CN1CC1CC1 72409793 YXHFHCFIKKKCTG-DJJJIMSYSA-N 354.410 1.318 0 50 FDAA Cc1cccc(OCC(=O)N2CCN(c3ncccn3)C[C@H]2C(=O)O)c1C 71663076 NQTNSSFTCCNMSO-HNNXBMFYSA-N 370.409 1.274 0 50 FDAA O=C(CCc1cc2n(n1)CCNC2)NCc1cc(-c2cccnc2)no1 72410384 INQKQEFVRMAKQA-UHFFFAOYSA-N 352.398 1.285 0 50 FDAA COc1ccccc1N1CC[C@@H](N2CCCN(c3cccnn3)CC2)C1=O 151040319 PNTGIRUSBJXNEF-QGZVFWFLSA-N 367.453 1.803 0 50 FDAA COc1ccccc1C(=O)NCC(=O)N[C@H]1CN(C)Cc2ccccc21 363159117 KETXHRPXCZABKC-KRWDZBQOSA-N 353.422 1.728 0 50 FDAA CC(C)Nc1ncc(C(=O)N2CCCn3nc([C@@H](O)C4CC4)cc3C2)cn1 219263881 JZCIXMDMVSJDJZ-KRWDZBQOSA-N 370.457 1.983 0 50 FDAA O=C([C@H]1CC12CCNCC2)N1CCN(c2ncnc3ccsc23)CC1 237994575 UIDASGHFCXAHAZ-CYBMUJFWSA-N 357.483 1.730 0 50 FDAA CN(C)Cc1nnc(C2CCN(C(=O)c3cnn4c3CCCC4)CC2)n1C 77488608 DHHGVIZYEJDWRD-UHFFFAOYSA-N 371.489 1.429 0 50 FDAA CCc1cc(NCCCN2CCC(C(N)=O)CC2)n2nc(C)c(C)c2n1 72421194 BWIRLIWHXYHYSA-UHFFFAOYSA-N 358.490 1.908 0 50 FDAA CCNc1ncc(C(=O)N2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)cn1 77323165 HKOILSFROKJMJB-IBGZPJMESA-N 357.458 1.916 0 50 FDAA CCCN1CC2(CCN(C(=O)Cn3ccccc3=O)CC2)C[C@@H]1C(=O)O 72428440 KMJQLBDJTVNARK-OAHLLOKOSA-N 361.442 1.026 0 50 FDAA Cc1cc(=O)[nH]c(SCC(=O)N2CCC[C@H](Cn3ccnc3C)C2)n1 77438959 PZDXDIITLFEPGK-CQSZACIVSA-N 361.471 1.614 0 50 FDAA CC1(C)CN(Cc2cnc(NS(=O)(=O)c3ccccc3)nc2)CCO1 216101262 WUZXGYNYOFTVJM-UHFFFAOYSA-N 362.455 1.888 0 50 FDAA CC(C)[C@H](C(=O)N1CC[C@@](C)(C(=O)O)C1)n1nnc(-c2ccccc2)n1 236612093 XLRBTMCACXUEIQ-RDTXWAMCSA-N 357.414 1.860 0 50 FDAA Cc1ccnc(N2CCN(C(=O)NCCN3CCN(C)C(C)(C)C3)CC2)c1 333261347 FUKABFUMXDDIDG-UHFFFAOYSA-N 374.533 1.248 0 50 FDAA O=C(CN1CCS(=O)(=O)[C@@H]2CCCC[C@H]21)NC(=O)NC1CCCCC1 333421790 ICDGVKKIZKSAOD-HUUCEWRRSA-N 371.503 1.187 0 50 FDAA COc1nc2c(cc1C(=O)N[C@@H]1CCCN(c3ncccn3)C1)CCC2 72134263 QQFMPAOUPCZYTD-CQSZACIVSA-N 353.426 1.768 0 50 FDAA O=C(Cc1ccc(Cl)cc1)N1CCC(N2CCCS2(=O)=O)CC1 333990145 JJWFSTWANZUOGS-UHFFFAOYSA-N 356.875 1.909 0 50 FDAA Cc1nccn1CC(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 333977759 ZIWQGZGZLCSARO-CABCVRRESA-N 354.410 1.227 0 50 FDAA COc1nc(C)cc(C)c1CN1CCC(N2CCCS2(=O)=O)CC1 334023258 FEAVFKYNJYPJSQ-UHFFFAOYSA-N 353.488 1.707 0 50 FDAA C[C@H]1CN(Cc2nc(CS(C)(=O)=O)no2)c2ccccc2NC1=O 174181131 PPPOOSLTAZLHAI-JTQLQIEISA-N 350.400 1.209 0 50 FDAA O=C(O)[C@H]1CN(C(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)CCO1 263061502 YFVHWDODSBPPSF-GFCCVEGCSA-N 362.363 1.464 0 50 FDAA Cc1nccn1CC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 221341595 OVBLADZLUCTQHS-UHFFFAOYSA-N 360.365 1.411 0 50 FDAA Cc1nn(C)c(C)c1-c1cc(C(=O)NC[C@@H](O)Cc2ccccc2)[nH]n1 174956167 PHNOYHHWCDBHID-HNNXBMFYSA-N 353.426 1.760 0 50 FDAA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1nc(N)nc3c1CCCC3)C2 223941029 BWHWSWKAJLSVFD-LLVKDONJSA-N 356.430 1.234 0 50 FDAA 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CC(C)N1CC(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](N(C)C)[C@@H]3O)C1 19794980 RZHOVNNERMESRK-UXHICEINSA-N 371.525 1.864 0 50 FDAA CS(=O)(=O)NC1CCC(NC(=O)c2cn(-c3ccccc3)cn2)CC1 1857527577 PXBFIDRQXOQRTM-UHFFFAOYSA-N 362.455 1.463 0 50 FDAA NC(=O)c1ccc(N2CCN3C(=O)OC[C@@]3(Cc3ccccc3)C2)nc1 1857678417 XXBBEIGDPYRGKL-LJQANCHMSA-N 352.394 1.434 0 50 FDAA CCn1nc(C)c(CN(CCOC)C(=O)[C@H]2CC[C@@H](OC)[C@H](N)C2)c1C 1857734277 HCRJYZDPKJCBJM-CGTJXYLNSA-N 366.506 1.637 0 50 FDAA O=C(NCc1nc(-c2ccccn2)no1)[C@@H]1CC(=O)N(c2nccs2)C1 1857735321 COHHOGUQTMYREH-SNVBAGLBSA-N 370.394 1.257 0 50 FDAA COc1ccc(C(=O)N2C[C@H](O)[C@@H](NCc3ccc4c(c3)OCO4)C2)cc1 216795918 MHTHIZMHEIPUAB-IRXDYDNUSA-N 370.405 1.399 0 50 FDAA NC(=O)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 2560803 VHRMWRHTRSQVJJ-MRXNPFEDSA-N 354.362 1.854 0 50 FDAA in-vitro COC(=O)c1ccc(CN[C@@H]2C[C@@H](C(=O)NC(C)C)N(C(C)C)C2)cc1 19798832 PMRWEVUUAIFFGL-MSOLQXFVSA-N 361.486 1.939 0 50 FDAA CNCC1CCN(C(=O)c2cc(Br)cnc2N(C)C)CC1 152308090 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0 50 FDAA COc1ccc(F)cc1CN1CCN(c2cnn(C)c(=O)c2Cl)CC1 192809399 KJFIKCPQDZVDPY-UHFFFAOYSA-N 366.824 1.904 0 50 FDAA CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccc(OC2CCCCC2)cc1 193049701 YAHPUECZORGMKI-VQIMIIECSA-N 360.454 1.996 0 50 FDAA O[C@H](COCc1ccc2c(c1)OCO2)CN1CCC(c2ccn[nH]2)CC1 195512830 LAXORPYLDVKLLQ-INIZCTEOSA-N 359.426 1.896 0 50 FDAA CCC(=O)N1CCN(Cc2ccc(C(C)=O)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 219523758 TUGZSYBOTGGUIG-SJORKVTESA-N 364.467 1.109 0 50 FDAA Cc1cc(C[C@@H]2CN(c3cc(C(=O)N4CCCCC4)ccn3)C[C@@H]2O)n[nH]1 1704314389 YLQOMKDVNRCCSB-AEFFLSMTSA-N 369.469 1.779 0 50 FDAA Cc1ccc(S(=O)(=O)NC[C@@]2(O)CCO[C@@H]2C)c(Br)c1 228077220 AFZSKAHUBGIBCO-MFKMUULPSA-N 364.261 1.576 0 50 FDAA Cc1cccn2ncc(C(=O)N3CCc4nc(C)n(C)c(=O)c4CC3)c12 1772708848 GJXHGIAVQWGDGI-UHFFFAOYSA-N 351.410 1.286 0 50 FDAA Cc1[nH]nc(CN2CCCN(C(=O)[C@]3(C)CCN(C)C3)CC2)c1Cl 1775978000 OFISDLGRTUAWRK-QGZVFWFLSA-N 353.898 1.748 0 50 FDAA C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 5050780 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O=C(N[C@@H]1C[C@H](C(=O)NC2CCC2)C[C@H]1O)c1cccc(-n2cccn2)c1 1940198160 RLQBAIBPMPNQGD-BMGDILEWSA-N 368.437 1.410 0 50 FDAA Cc1cc2c(cn1)CN(C(=O)C1CCN([C@H]3CCS(=O)(=O)C3)CC1)C2 299758937 FSOGJXOMPZGKKJ-KRWDZBQOSA-N 363.483 1.131 0 50 FDAA Cc1c(C(=O)O)sc2ncnc(N3CCC(N4CCOCC4)CC3)c12 299782767 WESHSSIZQVDVOA-UHFFFAOYSA-N 362.455 1.999 0 50 FDAA COC[C@H](NC(=O)C1CCN(C2CCOCC2)CC1)c1ccnn1C 299787077 YXDXRLCKGTZAOK-INIZCTEOSA-N 350.463 1.115 0 50 FDAA CCCc1ncncc1C(=O)N[C@@H]1CCN(Cc2c(C)noc2C)C[C@H]1O 299800732 XXZABYJOJWUUCI-QZTJIDSGSA-N 373.457 1.399 0 50 FDAA Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)c2cn(C)c(O)nc2=O)n1 299761833 ZGUBZUQOSPPFDQ-QMMMGPOBSA-N 373.335 1.076 0 50 FDAA CC[C@H](NC(=O)N1CCN(CCOCCO)CC1)c1ccc(O)cc1 584891021 LBVBOYKPPJJOMQ-KRWDZBQOSA-N 351.447 1.179 0 50 FDAA O=C1CN(CCCNC(=O)N2CCC(OCc3ccccc3)CC2)CCN1 584890948 YERMVPUVBKJXHB-UHFFFAOYSA-N 374.485 1.199 0 50 FDAA CCO[C@H]1COCC[C@@H]1NC(=O)Cc1cc2c(cc1Cl)OCCO2 1565506525 QJDQTVZEAAIVSR-BBRMVZONSA-N 355.818 1.964 0 50 FDAA CC(=O)N[C@H]1CN(Cc2cc(O)n3nc(C)nc3n2)C[C@@H]1c1ccc(C)o1 1565528512 CCMACDCQQHKEFR-GJZGRUSLSA-N 370.413 1.144 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](Nc2ncnc3[nH]cnc23)CN1Cc1ccc(C)o1 96141339 XLLPQWWJIKSRJO-JSGCOSHPSA-N 369.429 1.445 0 50 FDAA C[C@@]1(C(=O)O)CCN(C(=O)CS(=O)(=O)CCCc2ccccc2)C1 269025537 KFIHQZYUPVMFAD-QGZVFWFLSA-N 353.440 1.357 0 50 FDAA CN(C)S(=O)(=O)c1cccc(CN2C(=O)N3CCC[C@@]3(C)C2=O)c1 170614040 UDJZTJVKOULHCZ-INIZCTEOSA-N 351.428 1.254 0 50 FDAA COC[C@H]1CCCN(S(=O)(=O)NCc2nc3ccccc3n2C)C1 1506422241 MTOJTXWRUHWASN-ZDUSSCGKSA-N 352.460 1.266 0 50 FDAA CCC[C@H]1CN(Cc2cnc(-c3ccco3)nc2)C[C@@H]1NS(C)(=O)=O 220021377 RFZRLEOOKLJEKI-GJZGRUSLSA-N 364.471 1.886 0 50 FDAA O=C(c1ccncc1)N1CCC(N[C@@H]2COC[C@H]2Cc2ccncc2)CC1 1704297137 DNIBFCQLLIACBF-UYAOXDASSA-N 366.465 1.929 0 50 FDAA COc1cc(OC)c([C@H]2CCN(C)C[C@H]2OC(C)=O)c(O)c1C(C)=O 145078060 IGPSCQDNVKUGLW-SWLSCSKDSA-N 351.399 1.963 0 50 FDAA Nc1ncc(CN2CCCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)cn1 1772819229 HNFCJTPLGIPGFU-ZWKOTPCHSA-N 351.454 1.897 0 50 FDAA Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)C4(C(N)=O)CC4)C3)C2=O)c1 11839407 YINJKHBRSLWQMO-FQEVSTJZSA-N 369.465 1.602 0 50 FDAA COC1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(F)cc2)CC1 12429508 SETVOQXJCFCMSX-KRWDZBQOSA-N 363.433 1.154 0 50 FDAA Cc1csc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2)n1 12430492 LTCMFUFZGWZARA-MRXNPFEDSA-N 372.494 1.801 0 50 FDAA COc1ccccc1OCc1cc(C(=O)N2CCN(C(C)=O)CC2)n[nH]1 15079675 ASJBOVWPVLMDBO-UHFFFAOYSA-N 358.398 1.302 0 50 FDAA O=S(=O)(NCCNc1ccc(-n2cccn2)nn1)c1cccc(F)c1 19924336 JZOQFMWGQFKLAH-UHFFFAOYSA-N 362.390 1.192 0 50 FDAA CCCCN(C)C(=O)Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O 169752502 JUYBXBALZMSUBR-UHFFFAOYSA-N 368.437 1.914 0 50 FDAA O=C1OCC2=C1[C@@H](c1ccccc1)NC(=O)N2CC(=O)N1CCCCC1 169757971 MOQSAUCUCCLYMH-QGZVFWFLSA-N 355.394 1.576 0 50 FDAA N=S1(=O)CCC2(CC1)CN(C(=O)[C@H]1Cc3ccccc3O1)CCO2 1857528034 YAOVFEJVFHWZLA-HAQQTFLXSA-N 350.440 1.428 0 50 FDAA COCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3cccc(C)c3C)[C@H]3CC[C@]2(C1)O3 1857709990 BXTGVRJMDUFPNW-XKGFGPFHSA-N 372.465 1.686 0 50 FDAA Cc1nsnc1C(=O)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857726807 DEVRKZJEBKJRDB-IYOUNJFTSA-N 370.434 1.761 0 50 FDAA Cc1cccc(CN2CCC3(CCC[C@@H]3NC(=O)COCC(N)=O)CC2)n1 1857731048 ITOSAWJMLNFLQE-KRWDZBQOSA-N 374.485 1.143 0 50 FDAA Cc1cc(C)n(-c2ccccc2CN2C[C@H]3COC[C@@H](C2)C(=O)N3C)n1 1875248700 IOTNONWRRAVLMY-MSOLQXFVSA-N 354.454 1.778 0 50 FDAA C[C@H]1N(C(=O)c2cn(-c3ccccc3)nn2)CCC[C@@]12CCCNC2=O 1875246816 NNIMEAAEDZLYAY-KUHUBIRLSA-N 353.426 1.788 0 50 FDAA Cc1cc(N2C[C@@H]3[C@H](CNS(C)(=O)=O)[C@H]4CC[C@]3(C2)O4)nc(C)c1C 1875244863 XPUOSAXTRXYJCJ-BVIKNXMNSA-N 365.499 1.540 0 50 FDAA COCCN1C[C@H]2CN(C(=O)c3ccc(Cl)c(F)c3)C[C@@]2(C(=O)O)C1 247823572 DXXFAEAQMJMPFN-SJCJKPOMSA-N 370.808 1.584 0 50 FDAA C=CC(=O)N(CC)CC(=O)N1CC2(CCCN(C(=O)OC(C)(C)C)C2)C1 919854363 WMNDHOACOCDIGM-UHFFFAOYSA-N 365.474 1.880 0 50 FDAA Cc1ccn(-c2ccc(C(=O)N3C[C@@H]4COCC[C@]4(C(N)=O)C3)cc2)n1 952850226 JSUKODGRYDWJMJ-BEFAXECRSA-N 354.410 1.145 0 50 FDAA Cc1cc(=NC(=O)[C@@H](C)OC(=O)C[C@@H]2CCC3(CCOCC3)CO2)[nH]o1 1875270191 LTXBGVYERXWEBR-KGLIPLIRSA-N 366.414 1.641 0 50 FDAA Cc1nc(O)c(NC(=O)[C@@H]2CNCc3nccn3C2)cc1Br 1875294959 ZCIVNZOLBNKGPC-SECBINFHSA-N 366.219 1.413 0 50 FDAA C=CC(=O)N1CCN(C(=O)CCc2c(C)nc3cc(C)nn3c2C)[C@@H](C)C1 1875381191 MWIRYJCHADVUBD-AWEZNQCLSA-N 369.469 1.832 0 50 FDAA CN(CCNC(=O)c1cc(Cl)c[nH]1)C(=O)c1ccc(-n2ccnn2)cc1 1875339101 WKZLMLDRBWQFJD-UHFFFAOYSA-N 372.816 1.751 0 50 FDAA C=CC(=O)NCC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 1875371071 NZHANWMOBOMJRE-CYBMUJFWSA-N 353.216 1.651 0 50 FDAA CN(C)C(=O)C[C@@H]1CN(Cc2ccc(C(F)(F)F)nc2N(C)C)C[C@H]1O 1875398518 UETYYFSWGINUNT-CHWSQXEVSA-N 374.407 1.437 0 50 FDAA C=CC(=O)N(C)c1ccc(C(=O)N(C)C2CCS(=O)(=O)CC2)cc1 1875373810 PHTFGRRMBADLOK-UHFFFAOYSA-N 350.440 1.485 0 50 FDAA Cc1cc(-n2ccnc2)ccc1C(=O)N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O 1875402916 NZJRKZICOIIMLF-KFKAGJAMSA-N 365.437 1.947 0 50 FDAA Cn1cnnc1C[C@@]1(O)CCCN(Cc2c[nH]nc2-c2ccccc2)C1 886089148 ZVBUZSOOWXQUHT-IBGZPJMESA-N 352.442 1.775 0 50 FDAA Cn1ccnc1[C@@H]1[C@@H](C(=O)N2CCC(F)(F)C2)CCC(=O)N1C1CC1 888076109 ZTGIKKAFVHYWTH-JSGCOSHPSA-N 352.385 1.730 0 50 FDAA OC1(O)[C@H]([C@@H]2COC3(CCCCC3)O2)O[C@H]2OC3(CCCCC3)O[C@@H]21 4602329 XOOYXQMQBKMNDL-AJNGGQMLSA-N 356.415 1.544 0 50 FDAA COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc2ncnn12 480062999 SGOKRDLHNUWWBO-HNNXBMFYSA-N 363.377 1.725 0 50 FDAA C[C@H]1CCCc2nc(S(=O)(=O)Nc3cccc([C@@H](O)C(=O)O)c3)cn21 2325841035 AORQDCJATGJQHO-ZUZCIYMTSA-N 365.411 1.699 0 50 FDAA C[C@@H](CO)C(=O)N1C[C@@H](C)[C@H](CNC(=O)c2ccc3cccnc3c2)C1 2325871202 BLVGBJNCIQQIQA-JKIFEVAISA-N 355.438 1.688 0 50 FDAA CCCn1nc(N(Cc2nc(C(=O)OC)co2)S(C)(=O)=O)cc1C 2356157622 OGICPSDHJIDFDO-UHFFFAOYSA-N 356.404 1.342 0 50 FDAA O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCCc1c[nH]c2ccccc12 2951959 SBVFEDZYNKXRGR-UHFFFAOYSA-N 362.389 1.530 0 50 FDAA biogenic O=C([C@H]1CN(Cc2ccccc2)CCO1)N1CCO[C@H](c2nccs2)C1 133315462 AQVSLYCKMZXKMX-DLBZAZTESA-N 373.478 1.944 0 50 FDAA CCC[C@H](NC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1)c1nn[nH]n1 413581560 BJFXNTHQVJYEDP-ZFWWWQNUSA-N 374.420 1.387 0 50 FDAA COCCc1nsc(NS(=O)(=O)c2cc(OC)ccc2OC)n1 225744039 ALBKHSYCSVDUFG-UHFFFAOYSA-N 359.429 1.545 0 50 FDAA C[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 112041413 BTMYNAADBXKFIO-HNNXBMFYSA-N 364.453 1.891 0 50 FDAA CCN1CC[C@@H](CNC(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)C1 247084046 ILYZEPSMDQLLLQ-GXTWGEPZSA-N 351.397 1.776 0 50 FDAA O=C(CCCn1cnc2ccccc2c1=O)NCc1nnc2n1CCC2 54454585 XWKPCEBFQAPUTE-UHFFFAOYSA-N 352.398 1.031 0 50 FDAA CN(CCc1ccccn1)Cc1ccc(C(=O)NC[C@@H]2CCCO2)c(=O)[nH]1 20784126 BRXXAUKSGUBDDF-KRWDZBQOSA-N 370.453 1.353 0 50 FDAA CCOC(=O)c1cccnc1N1CCN(Cc2cccnc2OC)CC1 65396719 ZDRZYCLALIWDJM-UHFFFAOYSA-N 356.426 1.984 0 50 FDAA Cc1ccoc1C(=O)N1CCn2nc(C(=O)NCc3ccccn3)cc2C1 67774009 VMUOCXIRAYHJKH-UHFFFAOYSA-N 365.393 1.766 0 50 FDAA CCc1c(C(=O)N[C@@H]2CCC(=O)NC2(C)C)nnn1Cc1ccccc1 421549681 ZVTHCKUVTIGGGW-OAHLLOKOSA-N 355.442 1.676 0 50 FDAA CC[C@@H](Nc1ccccc1)C(=O)N1CCC(Cn2cc(CN)nn2)CC1 23581501 PQRFOYBUEWBJBT-GOSISDBHSA-N 356.474 1.866 0 50 FDAA COc1ccc(F)c(CN2CCC[C@@](O)(CN(C)CCN(C)C)C2=O)c1 67955679 GZDCLEOHANOZLT-LJQANCHMSA-N 367.465 1.181 0 50 FDAA C[C@H](CNC(=O)CN1Cc2ccccc2C[C@H]1C(N)=O)c1ccccc1 252444091 JSIUUVALJFDELQ-BEFAXECRSA-N 351.450 1.819 0 50 FDAA COc1ccccc1C(=O)N1CCN(c2cc(-n3cccn3)ncn2)CC1 67629622 HCQSBVLHHZOCHU-UHFFFAOYSA-N 364.409 1.633 0 50 FDAA CC(=O)N1CCc2nc(C)nc(NCc3cn4nc(C)sc4n3)c2CC1 65429161 LTQPXZSARKTQMO-UHFFFAOYSA-N 371.470 1.757 0 50 FDAA CC[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)c1cn2cccnc2n1 215475060 TZDMPBIBFCFYQG-CYBMUJFWSA-N 359.411 1.258 0 50 FDAA Cc1nc(=O)cc([C@H]2CCCN(CCn3c(=O)oc4ccccc43)C2)[nH]1 215796002 AHMAOIYRJQJFSH-AWEZNQCLSA-N 354.410 1.866 0 50 FDAA Cc1cc(C(=O)N2CCN(c3cc(=O)[nH]nc3-c3ccccc3)CC2)no1 215101903 MXZCURBOSUXFQF-UHFFFAOYSA-N 365.393 1.696 0 50 FDAA O=C(c1cccnc1O)N1CCCn2nc(CN3CCC(F)CC3)cc2C1 72151289 REWQILGBZDYVKI-UHFFFAOYSA-N 373.432 1.964 0 50 FDAA 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Cc1ccc(N2CCC[C@@H](NC(=O)N3CC[C@@H](c4nccn4C)C3)C2)nn1 332761766 OVXGVZFJAPMZHR-HZPDHXFCSA-N 369.473 1.686 0 50 FDAA Cc1cccc2nc(C(=O)N3CCC(C(=O)O)(n4cccn4)CC3)cn12 72430897 HSSJMQUNZXLINT-UHFFFAOYSA-N 353.382 1.555 0 50 FDAA O=C(N[C@H]1CCNC1)c1cccc(S(=O)(=O)NCc2ccsc2)c1 215241405 YAVPEIQWEODJTL-AWEZNQCLSA-N 365.480 1.318 0 50 FDAA O=C([C@H]1COc2ccccc2O1)N1CCC(n2ncc3c2CNC3)CC1 333646155 YCVXNNCEIJSSAR-GOSISDBHSA-N 354.410 1.490 0 50 FDAA CCCN1CCN(C(=O)c2cccc(C)c2OC)[C@H]2CS(=O)(=O)C[C@H]21 77538157 OQPCBXWZMJDREM-CVEARBPZSA-N 366.483 1.337 0 50 FDAA Cc1c(C(=O)N[C@@H]2COCC[C@@H]2OCc2cscn2)cnc2ccnn12 219533646 SSKCWERKLMIJNN-CABCVRRESA-N 373.438 1.598 0 50 FDAA Fc1cccc([C@@H]2CN(CCCn3cnnn3)[C@@H]3C4CCN(CC4)[C@H]23)c1F 72133783 JRPSBJIGGAQSRV-KFKAGJAMSA-N 374.439 1.904 0 50 FDAA Cc1n[nH]c([C@H]2CN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)CCO2)n1 173543350 PDNMTBZYHBXQQY-HZPDHXFCSA-N 369.425 1.062 0 50 FDAA CCc1nc2c(c(N3CCN(C)CC3)n1)CCN(C(=O)C=C(C)C)CC2 72408899 YKBAHMFUIQEFIL-UHFFFAOYSA-N 357.502 1.684 0 50 FDAA CN(C)CCN1C[C@@H](C(=O)NCc2csc(-c3ccccc3)n2)CC1=O 81237770 SSFRYLNPPNZDKC-HNNXBMFYSA-N 372.494 1.836 0 50 FDAA CCCc1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(N)=O)cc2)no1 222826540 SMCGGEPMTOWROU-NVXWUHKLSA-N 373.409 1.692 0 50 FDAA Cc1ccc([C@@H](C)CNC(=O)N2CCO[C@@H](CN(C)CC(=O)O)C2)cc1 263317060 ZTVRNCXGBQNAID-RDJZCZTQSA-N 363.458 1.525 0 50 FDAA Cc1ncc(C(=O)N2CC[C@@]3(CC(=O)NC3=O)C2)c(-c2ccccc2)n1 82148547 LKLDHKFKLBYBFQ-LJQANCHMSA-N 350.378 1.331 0 50 FDAA CS(=O)(=O)c1ccc(CC(=O)N[C@H](c2ccccn2)[C@H]2C[C@@H](O)C2)cc1 223626147 QKMDVGQFGIHDTC-DOXZYTNZSA-N 374.462 1.656 0 50 FDAA Cc1cccc2[nH]c(COCC(=O)N3CCC[C@H](c4nnc[nH]4)C3)nc12 220707936 IIOCNGWUCFDFSR-ZDUSSCGKSA-N 354.414 1.912 0 50 FDAA Cc1cccc2[nH]c(COCC(=O)NCc3cnn4cccnc34)nc12 220433959 QNGAJTICBLRFPV-UHFFFAOYSA-N 350.382 1.747 0 50 FDAA Cc1c(-c2cc(C(=O)N3CCOc4ccc(CO)cc4C3)n[nH]2)cnn1C 426488594 ZOSBHZLKFCLNSH-UHFFFAOYSA-N 367.409 1.646 0 50 FDAA C[C@@H]1CCc2c(C(=O)NN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)csc2C1 239402815 RERZAKSBNXNJPN-ZQAZLKBPSA-N 360.435 1.680 0 50 FDAA COc1ccc(C(=O)N2CC[C@]3(CCCN(C4CCOCC4)C3=O)C2)cn1 95366676 SSPAQOKDQJORFP-HXUWFJFHSA-N 373.453 1.724 0 50 FDAA CSc1ncc(CNC(=O)c2coc(CN3CCOCC3)c2)n1C 95392389 FOWLZENIMKWKJE-UHFFFAOYSA-N 350.444 1.497 0 50 FDAA Cc1nc2c(c(=O)n1C)CN(C(=O)[C@@H]1CCCN(Cc3ccco3)C1)C2 95504790 QFVZJZPMHNUOEY-CQSZACIVSA-N 356.426 1.436 0 50 FDAA O=C(Cn1ccccc1=O)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1 91391253 JPCHPNJMCWOGLC-HXUWFJFHSA-N 357.454 1.490 0 50 FDAA C[C@@]1(Cc2ccc3c(c2)OCO3)CCCN(Cc2nc(C(N)=O)no2)C1 92065395 JEVRLONSKGRXNI-SFHVURJKSA-N 358.398 1.742 0 50 FDAA CC(C)N1CCC(C(=O)N2CCc3c(nc(CC4CC4)[nH]c3=O)C2)CC1 95504029 XIDNNGHHPHODRS-UHFFFAOYSA-N 358.486 1.728 0 50 FDAA Cc1nc(N(C)C)ncc1C(=O)N1CCN(Cc2ccoc2)[C@@H](CCO)C1 97813818 CRCZJCCMHBOTOV-INIZCTEOSA-N 373.457 1.153 0 50 FDAA CC(=O)c1ccc(NC(=O)N2CCC3(CC2)[C@@H](C(=O)O)CC(=O)N3C)cc1 95378133 RRDMOHYBWZVMAJ-OAHLLOKOSA-N 373.409 1.819 0 50 FDAA Cc1ccc(C(=O)N2CC[C@]3(CCCNC3=O)C2)cc1N1CCNC1=O 91737409 PXGRRTLLBOPDTE-LJQANCHMSA-N 356.426 1.267 0 50 FDAA COCCCN1CC[C@@H](CNC(=O)c2cc(-c3ccccc3O)[nH]n2)C1 91616389 HBUMZANMKBPACD-AWEZNQCLSA-N 358.442 1.871 0 50 FDAA O=C([C@H](c1cccnc1)N1CCOCC1)N1CCN(c2nccs2)CC1 97575066 HZNZJNKAFZBBJO-INIZCTEOSA-N 373.482 1.260 0 50 FDAA O=C(NCCS(=O)(=O)N1CCCC1)Nc1ccccc1-n1cccn1 95501147 YGSHBHNBFKECCK-UHFFFAOYSA-N 363.443 1.419 0 50 FDAA CN(Cc1nc2ccccc2s1)C(=O)Cn1ncc(N(C)C)cc1=O 95505168 PWJSWZBQPNPERZ-UHFFFAOYSA-N 357.439 1.578 0 50 FDAA CC(C)(C)N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]4C(=O)N(C(C)(C)C)C(=O)[C@H]34)[C@H]2C1=O 244719233 LZGVDLOLBZIVCC-QSWPVVRKSA-N 358.438 1.602 0 50 FDAA CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2nc3ccc(C)cn3c2F)C1 244574782 CRJSDODLEUODBT-HAQNSBGRSA-N 372.404 1.562 0 50 FDAA CCCNS(=O)(=O)c1ccc(C(=O)NCCc2nccn2C)cc1 244719143 LXWVWOWQPGEILB-UHFFFAOYSA-N 350.444 1.081 0 50 FDAA O=C(O)[C@@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)CCO1 299750741 OGEUHJCMPDEFDT-AWEZNQCLSA-N 353.802 1.700 0 50 FDAA CCS(=O)(=O)c1ncc(CN(C)Cc2ccccn2)n1CCOC 55243582 BFTJHYOAMODKDD-UHFFFAOYSA-N 352.460 1.350 0 50 FDAA O=C(CCc1nc(O)n[nH]1)NCCc1nc(-c2ccc(Cl)cc2)no1 1940195290 JGBPOSJJUJHYIR-UHFFFAOYSA-N 362.777 1.505 0 50 FDAA CN(C)C1=NC2(CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)C(=O)N1 299773624 DOUURTXDNPWQFT-UHFFFAOYSA-N 367.409 1.364 0 50 FDAA O=C(Nc1ccc2c(c1)COC2=O)N[C@H]1CCCN(c2ncccn2)C1 299770050 OMYSTHKCZGXMGG-AWEZNQCLSA-N 353.382 1.938 0 50 FDAA COc1cccc(-c2ncc(CNC(=O)[C@@H]3CCS(=O)(=O)C3)s2)c1 299785987 SITZXLYJXVWFFL-GFCCVEGCSA-N 366.464 1.870 0 50 FDAA O=S(=O)(c1cccc2nsnc12)N1CCC[C@@H](c2nc[nH]n2)C1 828391840 JZCFIMBILBMMBE-SECBINFHSA-N 350.429 1.378 0 50 FDAA CC(C)(C)NC(=O)N1CCOC2(CCN(C(=O)c3ccnnc3)CC2)C1 827969591 KOKQFCBSDSKZBR-UHFFFAOYSA-N 361.446 1.292 0 50 FDAA CCn1nc(C)c([C@H](C)NS(=O)(=O)c2cc(C(N)=O)cs2)c1C 670458575 VUKBTOXBQVBWRA-VIFPVBQESA-N 356.473 1.720 0 50 FDAA COC[C@H]1CCCN(S(=O)(=O)NCc2nc3ccc(OC)cc3[nH]2)C1 670472320 DTWOKUMDNAEFHF-LBPRGKRZSA-N 368.459 1.264 0 50 FDAA O=C(O)C1CCN(S(=O)(=O)NCc2ccccc2-n2ccnc2)CC1 670458858 JMQPKKGMOCFYDG-UHFFFAOYSA-N 364.427 1.003 0 50 FDAA Cc1ccc(C)c(OCCCN(C)C(=O)NC[C@@H]2CN(C)CCN2C)c1 670444013 DWNWPWRHBGMYTA-GOSISDBHSA-N 362.518 1.960 0 50 FDAA Nc1ncnc2c1ncn2CCCC(=O)NC[C@@H]1Cc2ccccc2O1 1449661755 RXYWFWGUCZTGTE-ZDUSSCGKSA-N 352.398 1.309 0 50 FDAA O=C(CN1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CC1)N1CCOc2ccccc21 1565527696 HAQRNOVAWLYKAH-SJORKVTESA-N 369.465 1.745 0 50 FDAA O=C(O)C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CCO1 269043860 RYFNFMFJWUUTHR-NEPJUHHUSA-N 366.801 1.395 0 50 FDAA CCNC(=O)c1cccc(NC(=O)CN2C[C@H]3CCC[C@@]3(C(=O)OC)C2)c1 222264333 RXUKZBDGEKHSMX-FOIQADDNSA-N 373.453 1.650 0 50 FDAA NC(=O)c1cccc(NC(=O)C(=O)NCC2(c3ccccc3)CCC2)n1 272475663 DZWSOEOLJNHOFY-UHFFFAOYSA-N 352.394 1.357 0 50 FDAA C[C@@H](Oc1cccc(F)c1)C(=O)N1CC[C@H](N(C)Cc2nccc(N)n2)C1 276621636 WRDKYHALXSWJIX-HIFRSBDPSA-N 373.432 1.698 0 50 FDAA C[C@@H](C(=O)NCc1cccc(C(=O)O)c1)N1C(=O)c2ccccc2C1=O 170534420 BVDALKZHIRSILR-NSHDSACASA-N 352.346 1.686 0 50 FDAA CCOc1ccc(CN(C[C@H](C)O)C2CCS(=O)(=O)CC2)cc1OC 170606921 ZGDREWDKADIOJT-AWEZNQCLSA-N 371.499 1.854 0 50 FDAA Cc1cc(F)ccc1-n1cc(O)c(C(=O)NC2(c3nnc[nH]3)CCC2)n1 190372129 DIKCMVHIMIPEJR-UHFFFAOYSA-N 356.361 1.953 0 50 FDAA Cc1nn(C)cc1C(=O)N1CCCN(C(=O)c2c(C3CC3)n[nH]c2C)CC1 1529196864 ILOILXHATRTQMM-UHFFFAOYSA-N 370.457 1.626 0 50 FDAA O=C(CN1C[C@@H](O)[C@H](Cc2ccncc2)C1)NCCc1ccc(Cl)cc1 1704299044 MEXFRRYSZDMSCG-IEBWSBKVSA-N 373.884 1.929 0 50 FDAA C[C@H](CCn1cccn1)N1CCCN(C(=O)c2cccn(C)c2=O)CC1 1775982918 UWVNGPLXIPDTJP-MRXNPFEDSA-N 357.458 1.209 0 50 FDAA COCCN1C[C@H](CNc2noc(-c3ccccc3)c2C(=O)O)CC1=O 1772704730 KXHHKJNAQRWREB-LBPRGKRZSA-N 359.382 1.947 0 50 FDAA CCOC(=O)C[C@@H]1COCCN1C(=O)c1cc(COc2ccccc2)[nH]n1 11816944 GPLKLICMIDKBBS-OAHLLOKOSA-N 373.409 1.783 0 50 FDAA CC(=O)Nc1ncc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)s1 12379785 QUWDQCIJVWFKFY-UHFFFAOYSA-N 372.516 1.741 0 50 FDAA O=C(c1ccncc1)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21 12421776 VCLITZNBRMYYDB-UHFFFAOYSA-N 373.434 1.305 0 50 FDAA O=C(N[C@H]1C[C@H]2C(=O)N3CCC[C@@H]3C(=O)N2C1)c1cccc2ccccc12 14748538 CVMZZNOLSDRQNA-QGTPRVQTSA-N 363.417 1.544 0 50 FDAA COCCCNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 2986130 SVKOMSRWVIRNFW-UHFFFAOYSA-N 369.270 1.912 0 50 FDAA NS(=O)(=O)c1ccc(CCNC(=O)c2cc3ccccc3oc2=O)cc1 4749745 HQMMKFBZUNKWAS-UHFFFAOYSA-N 372.402 1.413 0 50 FDAA O=C(CCN1C(=O)c2ccccc2C1=O)N1CCN(c2ccccn2)CC1 4271954 OTKDJYCIEJJXHW-UHFFFAOYSA-N 364.405 1.417 0 50 FDAA CC1=C(C(=O)OC(C)C)[C@H](c2ccncc2)c2c(n(C)c(=O)n(C)c2=O)N1 4839366 HVSCCUWPCUXSAP-AWEZNQCLSA-N 370.409 1.262 0 50 FDAA CN(C)C(=O)C[C@H]1CN2C[C@@H](NC(=O)c3cc4ccccc4[nH]3)C[C@H]2CO1 1857708472 WABWAPLWMOWFRB-JYJNAYRXSA-N 370.453 1.218 0 50 FDAA CO[C@@H]1CC[C@H](C(=O)N2CCC(C(=O)NCc3ccccn3)CC2)C[C@H]1N 1857730399 RHXDDBCHUUJQMY-CGTJXYLNSA-N 374.485 1.079 0 50 FDAA COCCN1C(=O)C[C@@H](CNCc2cc(C)oc2C)[C@@H]1c1cnn(C)c1 328634824 UGTULHWHFBJZGB-QFBILLFUSA-N 360.458 1.956 0 50 FDAA Cc1c(NS(=O)(=O)c2ccc(C(=O)O)cc2F)cnn1[C@H]1CCOC1 451100497 UURJOARJXSTKQS-NSHDSACASA-N 369.374 1.791 0 50 FDAA Cc1ccc(C(=O)N2C[C@@H]3CN(C4CCOCC4)C[C@]3(C(=O)O)C2)s1 247812605 ADQGZMHQHCTSOV-UGSOOPFHSA-N 364.467 1.694 0 50 FDAA COCc1cc(N2C[C@@H]3CN(C(=O)C4CCCC4)C[C@]3(C(=O)O)C2)ncn1 247909295 XWARWXZMQJHESI-AUUYWEPGSA-N 374.441 1.163 0 50 FDAA COC1(CC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)CCC1 252481831 CTHZUYJTCDWRLK-QGZVFWFLSA-N 360.454 1.532 0 50 FDAA c1ccc(-c2nnc(N3CCN(C4CC4)CC3)n2C[C@H]2CCOC2)nc1 252501026 UBSQTANHNOXQOA-OAHLLOKOSA-N 354.458 1.661 0 50 FDAA COc1nn(C)cc1NS(=O)(=O)c1c(C)cc(C)c(CC(=O)O)c1C 473472206 POWHIQZLVHGDSK-UHFFFAOYSA-N 367.427 1.782 0 50 FDAA CN(C)Cc1ccccc1C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 368278656 IAUYUEZRRIJYIN-MRXNPFEDSA-N 355.442 1.407 0 50 FDAA Cc1cccc(C2(C(=O)NC3[C@H]4CC(N)C[C@H]3CS(=O)(=O)C4)CC2)c1 374028389 PSBAYNRCWCYMPE-JCAIJIATSA-N 362.495 1.293 0 50 FDAA NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)[C@@H](N)c2ccccc2)c1 262103896 DVLVNWAIDMKIBJ-MSOLQXFVSA-N 352.438 1.775 0 50 FDAA CC(C)Oc1cncc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)c1 164278931 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CC(C)OC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1cccnc1 1440812 QZSPYIDISPEVBP-CYBMUJFWSA-N 358.350 1.173 0 50 FDAA biogenic,in-vitro O=C(NCc1ccccc1)c1nc(CS(=O)(=O)c2ccccc2)no1 4742655 RYWUVCSTUATUQD-UHFFFAOYSA-N 357.391 1.974 0 50 FDAA CCN1CCN(CC)CCN(C(=O)NCc2cn3c(C)cccc3n2)CC1 2325764456 FUBITWOIBJWHFX-UHFFFAOYSA-N 372.517 1.812 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1cc2nccnc2cc1F 2325786053 ZMZKQNSULZZUBA-SSKCKEOISA-N 355.373 1.535 0 50 FDAA CCCCCc1cccc(CC(=O)N2CCS(=O)(=O)[C@H](CO)C2)c1 2325810859 KQXOOMUPLNAAPK-KRWDZBQOSA-N 353.484 1.580 0 50 FDAA COCC1(C(=O)N[C@@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)COC1 2325812151 ZJZZTBVDMGJUCP-IUODEOHRSA-N 350.390 1.267 0 50 FDAA O=C(c1ccc(Cn2cccn2)cc1)N1C[C@H]2CCOC[C@@]2(C(=O)O)C1 2325813201 XFAGGTKLYACSRD-APWZRJJASA-N 355.394 1.495 0 50 FDAA O=C(NC1CN(C(=O)[C@]2(C(F)(F)F)CCCCO2)C1)C12CC(F)(C1)C2 2325826722 KOJZLTJWRMJUAZ-NRXISQOPSA-N 364.339 1.707 0 50 FDAA CCC[C@H](CCO)NC(=O)C(C)(C)Oc1cccc(-c2nc(=O)o[nH]2)c1 2325850168 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355.398 1.225 0 50 FDAA Cc1ccccc1-n1cc(CNC(=O)[C@H]2CSC(C)(C)C(=O)N2)cn1 299784034 YLDKUGIHEBYGSY-CQSZACIVSA-N 358.467 1.807 0 50 FDAA Cc1ccc(OCC(=O)N2CCCO[C@H](CN3CCOCC3)C2)cc1C 299763534 OIRKFJNVCGZFDK-LJQANCHMSA-N 362.470 1.632 0 50 FDAA CNC(=O)C1(NC(=O)NCc2ccc(OCCOC)cc2)CCCCC1 584888269 WRILKSBOZXWOCH-UHFFFAOYSA-N 363.458 1.960 0 50 FDAA O=C(NC[C@H](CO)Cc1ccsc1)N1CCN(c2ccncc2)CC1 584891293 BHLAKVSNNCNNNS-MRXNPFEDSA-N 360.483 1.826 0 50 FDAA COc1ncc(CNC(=O)CN2CCCC[C@@H](OC)C2=O)cc1Cl 886077797 IUTHBGPUYGHIKG-CYBMUJFWSA-N 355.822 1.387 0 50 FDAA COc1ccnc(CN2C[C@@H]3CC[C@H]2CN(c2ncccn2)C3)c1OC 1565513082 LKYVZJUZMSWMSD-GJZGRUSLSA-N 355.442 1.990 0 50 FDAA Cc1nc(CC(=O)N[C@H]2CCN(Cc3cscn3)C[C@@H]2O)cs1 1565529491 NEQYEAFJOBNWJV-KBPBESRZSA-N 352.485 1.202 0 50 FDAA Cn1ccnc(N2CCC[C@H](NCc3nc4ccccc4n3C)C2)c1=O 275586685 PJSYMXQYYWBJMD-AWEZNQCLSA-N 352.442 1.426 0 50 FDAA CCc1nn(C)c(Cl)c1CN[C@@H]1CCCN(c2nccnc2O)C1 275541735 MRBJFCDMKKXHBV-LLVKDONJSA-N 350.854 1.890 0 50 FDAA 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CC(C)N(CCCO)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1 72162042 XOXBGPLMYABTEU-KRWDZBQOSA-N 365.449 1.136 0 50 FDAA Cc1cc(-c2cn3cc(C(=O)NCCN(C)C)nc3c(=O)n2C)c(C)o1 72438053 MNYUFYQXZLTYJY-UHFFFAOYSA-N 357.414 1.201 0 50 FDAA O=C(N[C@H]1CCCN(c2cccnn2)C1)C1CN(C(=O)C2CCCCC2)C1 333614183 FJUJQHLASYAFBT-KRWDZBQOSA-N 371.485 1.600 0 50 FDAA Cc1nccn1CC[C@@H](NC(=O)CCn1nnnc1C)c1ccccc1 219959542 SQBZFOFMKBWOFC-QGZVFWFLSA-N 353.430 1.824 0 50 FDAA Cc1cccc(S(=O)(=O)N2CCC(n3ncc4c3CNC4)CC2)c1F 333645144 XZOQONLWHWCDPB-UHFFFAOYSA-N 364.446 1.960 0 50 FDAA C[C@H]1CN(C(=O)c2cccc(COc3ccccc3C(N)=O)c2)CCN1 237572542 DQWSHXDNTWWJQU-AWEZNQCLSA-N 353.422 1.798 0 50 FDAA CCN(C)Cc1cc2n(n1)CCN(C(=O)c1cnc3c(c1)ncn3C)C2 72480750 UJVGOZZEABNCDC-UHFFFAOYSA-N 353.430 1.273 0 50 FDAA O=C1CC[C@]2(CCCN(C(=O)CSc3ccccn3)C2)CN1CCO 77536506 RPMSFGOASABTCR-SFHVURJKSA-N 363.483 1.397 0 50 FDAA O=C(O)CC[C@H]1CCCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C1 238003715 CFICZXFPQHKXKD-LLVKDONJSA-N 360.332 1.971 0 50 FDAA Cn1c(=O)n(C)c2cc(Cn3ccnc3-c3cc4n(n3)CCNC4)ccc21 72410669 RIWSDXFKQFVTRV-UHFFFAOYSA-N 363.425 1.089 0 50 FDAA O=C(CN1CCNCC1=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 238103473 MDZJDMAROGYBPW-SFHVURJKSA-N 365.861 1.044 0 50 FDAA O=C1CCC(CCC(=O)N[C@@H]2COCC[C@@H]2Oc2ccc(F)cc2)=NN1 220572661 RFMJYTPPNLYPHP-CVEARBPZSA-N 363.389 1.524 0 50 FDAA COCC[C@H]1CN(C(=O)c2ccc(-c3cncc(C(N)=O)c3)cc2)CCO1 426662086 IQICGAZLRFMRMS-SFHVURJKSA-N 369.421 1.725 0 50 FDAA CCCN1CCCn2nc(CNC(=O)[C@H]3CCCCN3C(C)=O)cc2C1 82161483 DDUVVNLTXHXETQ-GOSISDBHSA-N 361.490 1.516 0 50 FDAA Cc1ccc(N2CCN(C(=O)CCN3C[C@H](C)O[C@H](C)C3)CC2=O)cc1 82106507 VQTYDUIYCKQHFN-CALCHBBNSA-N 359.470 1.670 0 50 FDAA COc1ccnc(-c2ccc(C(=O)NC[C@H]3COCCN(C)C3)cc2)n1 426624760 LUSRCHWZXOQLDP-CQSZACIVSA-N 356.426 1.460 0 50 FDAA COCC(=O)N1CCC(C(=O)NCc2ccc(-c3noc(C)n3)cc2)CC1 95520132 BDFVRJUOITUNPA-UHFFFAOYSA-N 372.425 1.546 0 50 FDAA O=C(O)c1cc(N2C[C@H](C3CC3)[C@@H](NC(=O)C3CCOCC3)C2)ccn1 91644075 YXQFTRQTBUJKAU-WBVHZDCISA-N 359.426 1.537 0 50 FDAA 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O=C(CCCN1CCOCC1)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1 219343166 JODRUQGVCQYXMG-NGICGMGXSA-N 374.481 1.662 0 50 FDAA COCCc1noc(CN2CCN(c3ccc(OC)cc3)C(=O)[C@H]2C)n1 77300244 RLZLFBAICCTVAY-CYBMUJFWSA-N 360.414 1.504 0 50 FDAA Cc1ccnc2nc(C(=O)NC3CCN(CCc4ccncc4)CC3)nn12 126827584 FRKKZOADICEOOD-UHFFFAOYSA-N 365.441 1.265 0 50 FDAA O=C(C[C@@H]1CNCCO1)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1 215801631 QOWWAGCCILPWQX-CQSZACIVSA-N 360.845 1.993 0 50 FDAA COc1nc2c(cc1CNC(=O)[C@@H](C)CN(C)C)C(=O)N(C1CCCC1)C2 71763489 KQPNGGQQFDNULZ-ZDUSSCGKSA-N 374.485 1.803 0 50 FDAA COC(=O)c1cc2c(=O)n(-n3c(C)nnc3C)ccc2nc1/C=C/N(C)C 72406630 VDDICPDRSMKGIT-SOFGYWHQSA-N 368.397 1.235 0 50 FDAA CCSCCN1CCC(c2nnc(CN3CCC(O)CC3)n2C)CC1 77471452 BAUQNFBYGFTXIN-UHFFFAOYSA-N 367.563 1.704 0 50 FDAA Cc1nc2c(c(N3CCCCC3)n1)CCN(C(=O)c1cnn(C)c1)CC2 72431663 FYBPXAUGUODYIH-UHFFFAOYSA-N 354.458 1.750 0 50 FDAA CO[C@@H]1CCCN(c2ncnc3c2CCN(C(=O)c2ccoc2)CC3)C1 72474449 DATFJFZWCWHJBI-OAHLLOKOSA-N 356.426 1.926 0 50 FDAA 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1.142 0 50 FDAA Cc1noc([C@@H](C)N2CCN(Cc3nc4ccsc4c(=O)[nH]3)CC2)n1 193020509 FAFIGHZKFGFKRC-SNVBAGLBSA-N 360.443 1.555 0 50 FDAA O=C(CN1CCOC1=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1616079951 KOBQFBYYKWAYMK-PBHICJAKSA-N 355.394 1.361 0 50 FDAA O=C(CCc1ccncc1)N1CC[C@H](O)[C@@](Cc2ccccc2)(C(=O)O)C1 1704304296 PZTAIMSKXIOCQT-RXVVDRJESA-N 368.433 1.921 0 50 FDAA O=C(NCCc1csc(-c2ncccn2)n1)c1ccc2c[nH]nc2n1 1775984438 UKKOKTUNWOKQOV-UHFFFAOYSA-N 351.395 1.844 0 50 FDAA O=C(NCCn1nc(-c2ccccc2)ccc1=O)[C@H]1CC2CCN1CC2 1775981204 BIVRCYKLTMMPCT-GOSISDBHSA-N 352.438 1.511 0 50 FDAA CCN1CC[C@@]2(CCN(Cc3cnc(S(C)(=O)=O)n3CC(C)C)C2)C1 12444951 GKBOAXWKPCMCCO-GOSISDBHSA-N 368.547 1.860 0 50 FDAA O=C(NCc1ccc(N2CCCC2=O)cc1)c1cn(C[C@@H]2CCCO2)nn1 12712788 FSEAAAWLQCJYSS-INIZCTEOSA-N 369.425 1.514 0 50 FDAA CN1CCC(N2C[C@H](Sc3ccccn3)C[C@H]2C(=O)NC2CC2)CC1 15008434 ALIWSKUDKCIHSK-SJORKVTESA-N 360.527 1.989 0 50 FDAA CC1=NS(=O)(=O)c2cc(C(=O)N3CCOCC3)ccc2N1CC(C)C 15867725 NVSVMZUFJKXJSS-UHFFFAOYSA-N 365.455 1.742 0 50 FDAA CC[C@@H]1CCc2sc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2C1 16603842 SQMSVUFLASKBMN-GFCCVEGCSA-N 356.513 1.980 0 50 FDAA CCN1CCN(S(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)CC1 16647910 OQWKLPNYVOKEAO-UHFFFAOYSA-N 369.487 1.160 0 50 FDAA CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 4869361 AFHWZMXVQBHUMA-UHFFFAOYSA-N 367.254 1.764 0 50 FDAA O=C(c1cnn(Cc2ccccc2)c1)N1CC[C@H](O)[C@@]2(CCCNC2=O)C1 1857686603 DFIKDBSKFOEWBO-FXAWDEMLSA-N 368.437 1.035 0 50 FDAA CCc1ccccc1C(=O)NC[C@H]1[C@H]2CN(C(=O)COC)C[C@]23CC[C@H]1O3 1857712420 ARTBFRIJFDHEPS-XKGFGPFHSA-N 372.465 1.631 0 50 FDAA CN1CCC(N2C[C@@H]3[C@H](CNC(=O)c4ccccc4)[C@H]4CC[C@]3(C2)O4)CC1 1857717220 NQCGLMUBZODGHC-GPQLQYNLSA-N 369.509 1.990 0 50 FDAA Cc1noc2ncnc(N3C[C@@H]4CC[C@H](C3)C(=O)N4Cc3ccccn3)c12 211993112 YDPQSZNYDREYDC-HIFRSBDPSA-N 364.409 1.949 0 50 FDAA O=C1O[C@H]2CN(Cc3ccc(O)cc3)C[C@H]2N1CCCN1CCOCC1 248003596 RRGZHGOTGVZACB-MSOLQXFVSA-N 361.442 1.120 0 50 FDAA CC1(C)CN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)[C@H]1C1CC1 367911481 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O=C(NCC[C@@H](N1CCOCC1)C(F)(F)F)c1nccn2nccc12 1875311300 TUACRMYPXYLLFA-GFCCVEGCSA-N 357.336 1.112 0 50 FDAA CS(=O)(=O)NC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 1875390824 QJCZWDNFPYNZKZ-HNNXBMFYSA-N 362.407 1.730 0 50 FDAA Cn1ncc(C(=O)N[C@@H]2C[C@H](Cn3ccnc3-c3ccccc3)C[C@H]2O)n1 1875403354 UIOILSQIHKVXMH-YSVLISHTSA-N 366.425 1.248 0 50 FDAA Cc1ocnc1C(=O)N1CC[C@]2(C1)CN(C(=O)C1[C@@H]3CCC[C@@H]13)CCO2 1875407603 DRTAJVREUBFPKH-LPMFXHHGSA-N 359.426 1.473 0 50 FDAA Cn1cnnc1C[C@@]1(O)CCCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 886094950 INJGJKLBGHUMNE-SFHVURJKSA-N 357.389 1.645 0 50 FDAA O=C(Cn1nnc(-c2ccc3c(c2)OCO3)n1)NCc1ccc(F)cc1 4745342 NQYWCGRBRIINBS-UHFFFAOYSA-N 355.329 1.524 0 50 FDAA C[C@@H](NC(=O)C1(O)CCOCC1)[C@@H](O)c1ccc(Br)cc1 2325741337 VAKCQKODSODSLA-ZWNOBZJWSA-N 358.232 1.529 0 50 FDAA Cc1csc2c(C(=O)NC[C@H]3CCS(=O)(=O)[C@H](C)C3)ncnc12 2325786652 MPJJZZSEYVEWAI-MNOVXSKESA-N 353.469 1.943 0 50 FDAA O=C(O)[C@@H]1CC[C@@H]1S(=O)(=O)NC[C@@H]1C[C@]12CCOc1ccccc12 2325820507 OGQVXLDQFUMSQA-IUPKNAOTSA-N 351.424 1.509 0 50 FDAA O=C(NCCc1ccc(O)nc1)C1(c2cccc(-c3nn[nH]n3)c2)CC1 2325826351 ZMEWZBFXOPXTMS-UHFFFAOYSA-N 350.382 1.358 0 50 FDAA CO[C@@H](CN(C)C(=O)NS(=O)(=O)c1c2ccccc2nn1C)C1CC1 2325841362 QPDVPMHRKFMJNK-AWEZNQCLSA-N 366.443 1.328 0 50 FDAA CC(C)OC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccccc1 101662756 WXCUXNLFSGUPRG-CQSZACIVSA-N 357.362 1.778 0 50 FDAA CCS(=O)(=O)N1CCC(C(=O)Nc2cc(OC)ccc2OC)CC1 8477124 KFQZSVXHZFOTFN-UHFFFAOYSA-N 356.444 1.704 0 50 FDAA C[C@H](Cc1ccccc1)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 112041415 BTMYNAADBXKFIO-OAHLLOKOSA-N 364.453 1.891 0 50 FDAA CS(=O)(=O)N1C[C@@H](C(=O)N2CCc3ccccc3C2)Oc2ccccc21 20108531 VXUNFUVUAOPDOH-SFHVURJKSA-N 372.446 1.799 0 50 FDAA NC(=O)CN1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1 67604411 HWZIBIHIXYMXJN-UHFFFAOYSA-N 355.442 1.577 0 50 FDAA Cc1[nH]c2c(C(=O)N3CCC4(CC3)C(=O)NCCN4C)cccc2c1C 67604677 ZFBZSUPVRMEZPX-UHFFFAOYSA-N 354.454 1.821 0 50 FDAA Cc1cc(C(=O)Nc2cc(C(N)=O)ccc2N2CCC[C@H](C)C2)nc(N)n1 65460438 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355.438 1.293 0 50 FDAA CN(C)C(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1ccc(Cl)cc1F 219922251 SPISFGQGSULDKA-KGLIPLIRSA-N 358.797 1.471 0 50 FDAA O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NC1CCCC1 35889289 OGAKGRYZLCXSMT-UHFFFAOYSA-N 369.462 1.191 0 50 FDAA C[C@@H]1C[C@@H]1c1nnc2ccc(N3CCO[C@](C)(c4cnn(C)c4)C3)nn12 333597168 ULKBOUFGPJWCJG-IAISJRAMSA-N 353.430 1.733 0 50 FDAA CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)c1cccc2c1ccn2C 237317340 KCRJGVDTGMOOSL-UHFFFAOYSA-N 357.410 1.574 0 50 FDAA O[C@H]1[C@H](n2cc(CN3CCCC3)nn2)c2ccccc2C12CCNCC2 72169732 ZHYRJXAEJPBYQA-MOPGFXCFSA-N 353.470 1.459 0 50 FDAA COCCn1cnnc1CN(C)c1nccc(-c2cc(C(=O)O)ccn2)n1 77379972 LJFNJCLRGATEHE-UHFFFAOYSA-N 369.385 1.111 0 50 FDAA CCN(CCOC)C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1F 72126606 MAIZBEODJXEIDK-INIZCTEOSA-N 351.422 1.011 0 50 FDAA Cn1ccn2ncc(C(=O)N3CC[C@@H](NC(=O)OCc4ccccc4)C3)c12 216442444 BSRSQYLRLSTADS-OAHLLOKOSA-N 367.409 1.814 0 50 FDAA CNc1nc(N2CCC[C@]3(CCC(=O)N(CCCOC)C3)C2)ncc1F 77321106 MIKUBIWENKYSRC-GOSISDBHSA-N 365.453 1.903 0 50 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360.911 1.492 0 50 FDAA CCn1c(=O)oc2cc(NC(=O)NCCn3c(C)cc(C)nc3=O)ccc21 96164281 XCXUBGQHSSKNID-UHFFFAOYSA-N 371.397 1.610 0 50 FDAA COc1cccc([C@@H](O)CNC(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)c1 244708159 KOTWJPYKTVAYHA-VBQJREDUSA-N 359.430 1.193 0 50 FDAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 299749698 LJAVGLIMSQEKRH-JSGCOSHPSA-N 364.373 1.734 0 50 FDAA CCc1cc(N2CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)ncn1 299764354 RWDHBCXPFTZYHZ-UHFFFAOYSA-N 354.410 1.659 0 50 FDAA OC1CN(c2nc(NCC34CCCN3CCC4)cc([C@@H]3CCOC3)n2)C1 299795564 LXMMOXDKHGTMSB-CQSZACIVSA-N 359.474 1.202 0 50 FDAA CCCCN1CCn2nc(CNC(=O)c3ccn(CC)c(=O)c3)cc2C1 299799019 WWUJCXYJPVVPCT-UHFFFAOYSA-N 357.458 1.610 0 50 FDAA Cc1cc(C(=O)NCc2cc3n(n2)CCN(C(=O)C2CCC2)C3)ccc1O 299783187 UJQHCVYKEOBAPY-UHFFFAOYSA-N 368.437 1.969 0 50 FDAA O=C(Nc1ccc2c(c1)COC2=O)N[C@@H]1CCCN(c2ncccn2)C1 299770053 OMYSTHKCZGXMGG-CQSZACIVSA-N 353.382 1.938 0 50 FDAA Cc1ccc(CN(C)Cc2nc(CC(N)=O)nn2-c2cccnc2)cc1 823717532 MKPXOOVJIGCJDH-UHFFFAOYSA-N 350.426 1.631 0 50 FDAA CC(=O)N[C@@H](CCC(N)=O)C(=O)NCc1sc2ccccc2c1Cl 670467794 YVTIWQGSTKQUCS-NSHDSACASA-N 367.858 1.941 0 50 FDAA NS(=O)(=O)c1ccc(CCN[C@H]2CCC(=O)N(CC3CC3)CC2)cc1 952967602 LIRSSTVOTOAVFG-INIZCTEOSA-N 365.499 1.257 0 50 FDAA Cn1cc(CCC(=O)N2CCC3(CC2)CN(c2cnccn2)CCO3)cn1 952968455 MXOQHZBRYKSFIT-UHFFFAOYSA-N 370.457 1.041 0 50 FDAA COCCc1noc(CN(C)S(=O)(=O)c2ccc(-c3cc[nH]n3)o2)n1 952872300 NOSZFTFNNTWSHC-UHFFFAOYSA-N 367.387 1.062 0 50 FDAA CCn1cc(S(=O)(=O)N(Cc2ccccn2)C[C@H]2CCCO2)cn1 952983805 XTSUBURTZRFFDJ-OAHLLOKOSA-N 350.444 1.668 0 50 FDAA Cc1noc(C)c1S(=O)(=O)N[C@H]1COCC[C@@H]1OCc1ccccn1 1565508448 AETILHNXHOFOPE-GJZGRUSLSA-N 367.427 1.339 0 50 FDAA Cc1ccnn1CCC(=O)N[C@H]1CCOC[C@@H]1OCc1cscn1 1565506305 OJIMMYKDSJPAAW-GJZGRUSLSA-N 350.444 1.529 0 50 FDAA Cc1nccn1CCC(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1cnccn1)C2 1565527191 CFCWOSXPFKLQEA-CVEARBPZSA-N 368.441 1.135 0 50 FDAA O[C@H]1CN(Cc2cnc(-c3ccco3)nc2)CC[C@@H]1Nc1ncccn1 1565508361 ZNZJKEKSZJFALM-GJZGRUSLSA-N 352.398 1.574 0 50 FDAA CCc1ncc(S(=O)(=O)N2CCN(c3ncccc3Cl)CC2)[nH]1 952983737 WVGWLIKIYSNVPA-UHFFFAOYSA-N 355.851 1.531 0 50 FDAA COCCO[C@@H]1C[C@@H](CO)CN(S(=O)(=O)c2cc(C)sc2C)C1 278897141 QMIAQSLDDXLEEM-ZIAGYGMSSA-N 363.501 1.399 0 50 FDAA CC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCO2)[C@H](O)C(F)(F)F 271708759 RHKXMAKVBWTOPJ-YPMHNXCESA-N 353.362 1.992 0 50 FDAA CC(=O)NC[C@@H]1CCn2ncc(C(=O)N(C)CCOc3ccccc3)c2C1 276988978 SJOBVNYOFBLYIT-MRXNPFEDSA-N 370.453 1.733 0 50 FDAA O=C(c1cccc(OCc2cn3ccccc3n2)c1)N1C[C@@H](O)C[C@H]1CO 185926638 OJIDBZJWFDIKLJ-IRXDYDNUSA-N 367.405 1.481 0 50 FDAA CC(C)N1C(=O)CO[C@H](C(=O)NC2(C(N)=O)CCCC2)[C@H]1c1ccccc1 1529119599 KIBZGTXORBBMNA-SJORKVTESA-N 373.453 1.278 0 50 FDAA Cc1cc2cccc(C(=O)N[C@H]3COC[C@H]3CS(=O)(=O)N(C)C)c2o1 1704343459 CDFYWQJXAYYKIS-ZFWWWQNUSA-N 366.439 1.377 0 50 FDAA Cn1ccc(C2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cc1=O 1772700555 CSDZAKSMXCMWNR-SFHVURJKSA-N 354.406 1.931 0 50 FDAA Cc1ncsc1CN1CCCN(C(=O)c2cc3ncccn3n2)CC1 1772819884 WOGFPDZGJYFHJK-UHFFFAOYSA-N 356.455 1.842 0 50 FDAA Cc1nc(-c2ccccc2)[nH]c1C(=O)N1C[C@@H]2CCOC[C@]2(C(=O)O)C1 1857669413 OLVDOEBQFIMRPF-IFXJQAMLSA-N 355.394 1.948 0 50 FDAA COCCn1nc(Cc2ccccc2OC)nc1[C@H]1CCn2ncnc2C1 1857674557 NLRSXGSCPXDYQZ-HNNXBMFYSA-N 368.441 1.845 0 50 FDAA CS(=O)(=O)N[C@@H]1CCC[C@@H](NC(=O)c2cccc(-c3ncc[nH]3)c2)C1 1857675472 ZAKZRIZXRGKXNV-HUUCEWRRSA-N 362.455 1.667 0 50 FDAA NC(=O)CN1CCCOc2cccc(c2)CC[C@@H]2CCCCN2C(=O)C1 1857704052 BLPAUSHEQHARJS-KRWDZBQOSA-N 359.470 1.570 0 50 FDAA CC(C)c1ccc(S(=O)(=O)N2C[C@@H]3[C@H](CO)[C@H]4CC[C@]3(C2)O4)cc1 1857711726 DSAGCVDRZKGNLS-BSDSXHPESA-N 351.468 1.970 0 50 FDAA C/C=C(\C)CN1C[C@@H]2[C@H](CNC(=O)c3c(C)ncn3C)[C@H]3CC[C@]2(C1)O3 1857718876 XTKSYLUTDCBFDU-ITHFFLHFSA-N 358.486 1.904 0 50 FDAA CCc1nnc(N2C[C@@H](C(=O)NCCOc3ccccc3)CC2=O)s1 1857722741 MPHIKJRHHPEYEE-LBPRGKRZSA-N 360.439 1.649 0 50 FDAA O=C(N[C@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1)c1ccc(N2CCCC2=O)cc1 1857735548 FDPBEOORRGJKJN-YTQUADARSA-N 369.465 1.795 0 50 FDAA COc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)cc1F 1857738369 DVFIFRYOPBETLV-IIYDPXPESA-N 370.446 1.364 0 50 FDAA NCCOc1ccc(Cl)cc1C(=O)N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1875242187 LZFWLMVBUIYXKT-WPGHFRTFSA-N 354.834 1.289 0 50 FDAA CCCCCCNC(=O)N1C[C@@H]2[C@H](CNS(C)(=O)=O)[C@H]3CC[C@]2(C1)O3 1875243298 ZTEUEZHQOZZEAY-KLZNWCGWSA-N 373.519 1.305 0 50 FDAA COc1cccc(OCC(=O)N2C[C@@H]3CC[C@H]2CN(c2cnccn2)C3)c1 212087032 QRLPADYYWFKXJE-CVEARBPZSA-N 368.437 1.991 0 50 FDAA COc1ccc(-c2nc3sc(=Cc4ccco4)c(=O)n3n2)cc1OC 254482675 WWQGIFFTJRJELC-UHFFFAOYSA-N 355.375 1.976 0 50 FDAA C[C@@H](c1ncc(C(C)(C)C)o1)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 161831698 QDKXAYGPFBMVAY-NWDGAFQWSA-N 357.476 1.268 0 50 FDAA Cn1ccnc1[C@@](O)(CNC1CCN([C@H]2CCOC2)CC1)C(F)(F)F 848543258 RVTLQUVNCQUEHV-ZFWWWQNUSA-N 362.396 1.013 0 50 FDAA N[C@@H]1CCCCN(CC(=O)N[C@@H](CO)c2ccccc2C(F)(F)F)C1=O 1875276586 FPDSNBYMHZBYJO-KGLIPLIRSA-N 373.375 1.195 0 50 FDAA CN1C[C@@]2(CCCN(C(=O)C(=O)Nc3cccc(F)c3F)C2)CC1=O 1875294464 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O=S1(=O)CCN(CCN2CCC(Cc3ccccc3CO)CC2)CC1 2325726781 XENDXZMHVFXOJI-UHFFFAOYSA-N 366.527 1.164 0 50 FDAA O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCC(Cc2ccncc2)CC1 2325766609 FOTDLNNSEAFGCH-MRXNPFEDSA-N 353.426 1.639 0 50 FDAA C[C@]1(CO)COCCN(C(=O)c2ccc(-n3cnc4ccccc43)nc2)C1 2325801029 RNVZNSJZLUVNIS-FQEVSTJZSA-N 366.421 1.892 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1cccc2cc(O)ncc12 2325848169 AXBFYEOPCLGZDF-CSMYWGQOSA-N 352.394 1.706 0 50 FDAA COc1ccc(N(CC(=O)Nc2cccnc2)S(C)(=O)=O)c(OC)c1 894027 UURNHNJAYNEHQN-UHFFFAOYSA-N 365.411 1.504 0 50 FDAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)C3CCS(=O)(=O)CC3)C1)CC2 2356153842 XIXMELMQQGNQPK-GOSISDBHSA-N 363.483 1.416 0 50 FDAA Cc1ccc(C(=O)NCC(=O)NCC(=O)OCc2ccc(F)cc2)cc1 2850732 OWUAJRWIZXBRGM-UHFFFAOYSA-N 358.369 1.724 0 50 FDAA O=C(N[C@@H]1CCCCNC1=O)c1cc2c(s1)C1(CCNCC1)OCC2 2356170976 HUDFYJYYGYEVCB-CYBMUJFWSA-N 363.483 1.298 0 50 FDAA COC(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 100839180 GFLXDNHNMXOWEX-PYTWLRIVSA-N 370.405 1.833 0 50 FDAA CN1C[C@@]2(CCCN(C(=O)CC3=CSC4=NCCCN34)CC2)OC1=O 102836240 DXUGCHXTQKHWOI-KRWDZBQOSA-N 364.471 1.860 0 50 FDAA O=C(c1c[nH]c(=O)c(Cl)c1)N1CCN(C2Cc3ccccc3C2)CC1 67955748 SJLAJKNBPXIUKX-UHFFFAOYSA-N 357.841 1.954 0 50 FDAA Cc1cc(C)n(CCn2ccnc2-c2cnc(N3CCOCC3)nc2)n1 67654973 FFUMQLAHRWFAOP-UHFFFAOYSA-N 353.430 1.690 0 50 FDAA CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(N2CCN(C)CC2)nc1 123105032 WMRDCFOQJIFMFF-INIZCTEOSA-N 359.474 1.419 0 50 FDAA Cc1nc2ccc(N(C)C[C@@H]3OCCN(C)[C@H]3c3ccccc3)nn2n1 328935194 JFJUTRWMIQWURY-LPHOPBHVSA-N 352.442 1.941 0 50 FDAA CN(C)C1CCN(c2nc(-c3cccnc3)nc3c2CCNCC3)CC1 65380523 PYNNPOLXGAEBAY-UHFFFAOYSA-N 352.486 1.757 0 50 FDAA CCOCCn1c(=O)[nH]c2cc(C(=O)NCc3cc(C)ccn3)ccc21 77459034 NMWIJMHSHZDIHS-UHFFFAOYSA-N 354.410 2.000 0 50 FDAA O=C(CN1CCN(c2ncccn2)CC1)N1N=CC[C@H]1c1ccccc1 35808611 UIOQZXQKPRAPQC-KRWDZBQOSA-N 350.426 1.558 0 50 FDAA CCN(CC)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC)c(OC)c1 72147992 UFBKZAUSIVOBIX-HNNXBMFYSA-N 363.458 1.263 0 50 FDAA CC(C)(NC(=O)c1cccs1)C(=O)N1CCC[C@@]2(CC1)CNC(=O)O2 72158184 RKHADEUSWIPUPD-QGZVFWFLSA-N 365.455 1.748 0 50 FDAA C[C@@H]([C@@H](C)O)S(=O)(=O)CC(=O)N1CCC(Cc2ccccc2)CC1 330911239 HGISOWKBEFVKFT-CABCVRRESA-N 353.484 1.652 0 50 FDAA COCCN1CC[C@@H](NC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 363549439 PLQNLDTUBVMLJE-VQTJNVASSA-N 374.529 1.919 0 50 FDAA Cc1nnccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C 331626631 UWNDNBFLPQTABA-UHFFFAOYSA-N 363.443 1.550 0 50 FDAA Cc1nn(C)c(C)c1CN1CCN(C(=O)[C@@H]2CCn3cncc3C2)CC1 152666181 UKOKNDSDFPRTAJ-MRXNPFEDSA-N 356.474 1.140 0 50 FDAA COC[C@H](C)n1c(CCCC(=O)N2CCN(C)CC2)nc2cccnc21 77420514 SWIBOAPFAKXRRF-HNNXBMFYSA-N 359.474 1.735 0 50 FDAA COc1ccc(N2C[C@H](C(=O)N(C)CCCC(=O)O)CC2=O)cc1OC 364828820 LSUFWTMXHKYXKS-GFCCVEGCSA-N 364.398 1.380 0 50 FDAA O=C(c1cccc([C@H]2CCNC2)c1)N1CCC(N2CCC(O)CC2)CC1 72424122 HCLQEAQVGFBKOV-SFHVURJKSA-N 357.498 1.825 0 50 FDAA CC(=O)[C@@](C)(O)CN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 332404999 WTSYNCHYDXAMNR-QUCCMNQESA-N 360.502 1.256 0 50 FDAA Cn1ncc(N2CCO[C@H](CCNC(=O)C3(C)CCCCC3)C2)cc1=O 72156517 UJCYXUHUARBDSQ-MRXNPFEDSA-N 362.474 1.462 0 50 FDAA O=C(O)c1nn(CC2CC2)c2c1CN(C(=O)c1cnn3cc[nH]c13)CC2 71278988 ODZDCUXDHNXFJF-UHFFFAOYSA-N 354.370 1.166 0 50 FDAA COCCC1(C(=O)O)CCN(c2nnnn2[C@@H](C)c2ccccc2)CC1 71479554 ZWPSDHJTRFEOOC-AWEZNQCLSA-N 359.430 1.990 0 50 FDAA O=S(=O)(N1CCOCC1)N1CCCC[C@H]1CCc1ccc(O)cc1 72153807 BHWABBBPJYOWOC-INIZCTEOSA-N 354.472 1.756 0 50 FDAA CNc1nc(C(=O)N2CCN(Cc3ccccc3)[C@H](CCO)C2)cs1 72473933 JRXGVQZNRAXSOG-OAHLLOKOSA-N 360.483 1.894 0 50 FDAA Cc1nc([C@@H]2CCCN(CC(=O)NC3CC3)C2)cc(N2CCOCC2)n1 72475227 VYBOERQCYQXPMV-OAHLLOKOSA-N 359.474 1.080 0 50 FDAA C[C@@H](NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)C(=O)O 237452721 CVVMONNGFFKQJC-RKDXNWHRSA-N 355.188 1.391 0 50 FDAA O=C(O)c1ccc(CNC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)o1 238119176 QNNPEHPSXFOMLY-AWEZNQCLSA-N 356.378 1.685 0 50 FDAA O=C(N[C@@H]1CC(=O)N(CCc2cccc(Cl)c2)C1)c1ccc[nH]c1=O 72157579 BYQRPRSNTACSMZ-CQSZACIVSA-N 359.813 1.602 0 50 FDAA O=C(NCCN1CCN(c2ncccn2)CC1)c1scc2c1CCCC2 223676937 IAOFLSLYBWCASL-UHFFFAOYSA-N 371.510 1.969 0 50 FDAA CC(=O)NCCN(CC(=O)N1c2ccccc2CC[C@@H]1C)[C@H](C)C(=O)O 263344689 OGIWRQNJRMYPSM-UONOGXRCSA-N 361.442 1.266 0 50 FDAA Cn1ccnc1[C@H](O)C1CCN(C(=O)CCN2CCCCCC2=O)CC1 222268778 KFYVJUBQBMIDFM-GOSISDBHSA-N 362.474 1.485 0 50 FDAA C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NCc1nnnn1-c1ccccc1 221211150 JIYJTWFUNSFONR-LBPRGKRZSA-N 367.365 1.475 0 50 FDAA CN(C[C@H]1Cc2ccccc2O1)C(=O)c1cnc2c(O)cccn2c1=O 426624944 YNGUKEHTZPAXSJ-CYBMUJFWSA-N 351.362 1.476 0 50 FDAA Cc1cccc(N2CCN(CC(=O)N3C[C@@H]4CC[C@H](C3)[C@@H]4N(C)C)CC2)c1 223909412 ARNBQBBIHLNHJX-NGRWLJPCSA-N 370.541 1.916 0 50 FDAA C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)Cn1cnnn1 292363841 LXFQCMJJEKYPAE-GXFFZTMASA-N 355.320 1.681 0 50 FDAA Cc1cc([C@H]2CCCCN2C(=O)Cn2ncc(N3CCCC3)cc2=O)no1 95525257 XYCQAVBSAVRTTJ-QGZVFWFLSA-N 371.441 1.894 0 50 FDAA Cc1cc(C)nc(N2CCC[C@@H](c3nnc(CN4CCOCC4)n3C)C2)n1 426399422 OCCDUDKVVNSKEG-MRXNPFEDSA-N 371.489 1.438 0 50 FDAA CC(=O)N1C[C@H](C2CC2)[C@@H](NC(=O)c2ccccc2N2CCOCC2)C1 95372858 MACYBIHGSNEAKN-MSOLQXFVSA-N 357.454 1.510 0 50 FDAA CN(C)CCN1C[C@H](C(=O)N2CC(Oc3ccccc3Cl)C2)CC1=O 95498891 LGMIJLARFVJTHB-CYBMUJFWSA-N 365.861 1.340 0 50 FDAA COCCc1nc(Cc2cc3c(cc2Cl)OCCO3)n(CC(=O)O)n1 96133513 BNJWHZRKAQDXBM-UHFFFAOYSA-N 367.789 1.567 0 50 FDAA COc1cccc2c1OC[C@@H](CNC(=O)c1nnc3n1CCCCC3)C2 95522464 AZPPGOSHOREHSF-CYBMUJFWSA-N 356.426 1.994 0 50 FDAA Cc1cc(C)c(C(=O)NCCc2nc(Cc3ccccc3)no2)c(=O)[nH]1 91695707 YERZFMRPMOXUOV-UHFFFAOYSA-N 352.394 1.938 0 50 FDAA O=C(CCc1ccncc1)NCCNS(=O)(=O)c1ccc(Cl)cc1 97831176 UQJUBSNUKPYZKH-UHFFFAOYSA-N 367.858 1.762 0 50 FDAA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1ccc(N2CC(=O)NC2=O)cc1 95380716 HRFBJFRYCLGPAU-HNNXBMFYSA-N 369.425 1.784 0 50 FDAA Cc1cc(C)c2c(N3CCCO[C@@H](CN4CCOCC4)C3)ncnc2n1 95359886 JNAYREISHQTTHU-INIZCTEOSA-N 357.458 1.569 0 50 FDAA COc1cccc2c1OC[C@]1(C(=O)O)CN(C(=O)c3ccc[nH]c3=O)C[C@H]21 95517313 XOQFGOCAJAHONK-BFUOFWGJSA-N 370.361 1.087 0 50 FDAA O=C1C[C@@H](C(=O)N2CCN(c3ccccc3)CC2)CN1Cc1cccnc1 91411953 DGEWSRNICFIIMU-GOSISDBHSA-N 364.449 1.779 0 50 FDAA O=C(NCc1n[nH]c2c1CCCCC2)[C@@H](c1cccnc1)N1CCOCC1 91876912 GWBBKFGXSGUHSR-LJQANCHMSA-N 369.469 1.763 0 50 FDAA O=C1CCC2(CCN(C(=O)[C@@H](O)c3ccc(F)cc3)CC2)CN1CCO 92097964 UWXLITPPRSZEPN-KRWDZBQOSA-N 364.417 1.083 0 50 FDAA C[C@H](NC(=O)c1cnn2cc(CCO)cnc12)c1nncn1C1CCCC1 244708038 KMJIPHSADLLXKN-LBPRGKRZSA-N 369.429 1.462 0 50 FDAA COc1ccc([C@H](CN(C)C)NS(=O)(=O)[C@H]2CCO[C@H](C)C2)cc1 296271562 YQOKQBXZQMODTF-COXVUDFISA-N 356.488 1.785 0 50 FDAA O=C(c1cc(-c2ccccc2F)n[nH]1)N1CCO[C@@]2(CNCCOC2)C1 72162876 DNVJWPXAXPVRIQ-SFHVURJKSA-N 360.389 1.047 0 50 FDAA COc1cc(NC(=O)N(C)Cc2nncn2C(C)C)cc(-n2cnnn2)c1 299795036 LBWCLDNGBOXGGT-UHFFFAOYSA-N 371.405 1.507 0 50 FDAA O=C(N=c1nc2nccc(C3CC3)n2[nH]1)[C@@H]1CCCN(Cc2ccco2)C1 1940197967 FAFQQVYHWLSLEG-CQSZACIVSA-N 366.425 1.867 0 50 FDAA O[C@@]12CCOC[C@@H]1CN(Cc1ccc3nsnc3c1)[C@H]1CCOC[C@H]12 299772946 CBFPMOCETDHOBB-DACLVMHWSA-N 361.467 1.680 0 50 FDAA COCCN(C/C=C/c1ccccc1)C(=O)[C@@H]1CCCN1S(C)(=O)=O 299765317 FMAZWHSFRRTGAM-BHMZLHOFSA-N 366.483 1.599 0 50 FDAA Cc1nccnc1NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299794224 IJMHCDAKPMHDFT-SFHVURJKSA-N 373.501 1.546 0 50 FDAA COC1CCN(S(=O)(=O)NCC2(N3CCCCC3)CCCC2)CC1 824300264 FBGCAIIJJPUWGO-UHFFFAOYSA-N 359.536 1.730 0 50 FDAA Cc1cc(-c2cccc(C(=O)NCCOCCO)c2)nc(C)c1C(=O)O 584890820 RRRUEPQPVRCJRE-UHFFFAOYSA-N 358.394 1.802 0 50 FDAA CNc1nc(C(N)=O)c(NC(=O)CCn2nc(C)c(C(C)=O)c2C)s1 1529162091 VBWJYXZBFOGTNF-UHFFFAOYSA-N 364.431 1.328 0 50 FDAA CN(Cc1ccco1)C(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1529134099 RPPGEMWNVNEZTM-MSOLQXFVSA-N 355.394 1.764 0 50 FDAA Cc1cc(C)n(CC(=O)N2C[C@H](c3cccc(F)c3)[C@@H](C(=O)O)C2)c(=O)n1 216980466 KJGFSHQLFCRZJR-CVEARBPZSA-N 373.384 1.326 0 50 FDAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCn1nc(C)c(C)c1C)C2 212714159 ZNMSBYSMJWYOJE-SJORKVTESA-N 362.474 1.294 0 50 FDAA C[C@@]1(O)CCOC2(CCN(C(=O)CCCc3cccs3)CC2)[C@H]1O 1704339387 RUAFSRKMGNYVIT-DLBZAZTESA-N 353.484 1.964 0 50 FDAA CC(C)c1nccn1[C@@H](C)C(=O)N1CCCN(C(=O)c2cnccn2)CC1 1772707746 YFBRCVHRGWVOCK-HNNXBMFYSA-N 370.457 1.732 0 50 FDAA Cc1nn(C)c(C(=O)N2CCCN(CCn3cnnc3C)CC2)c1Cl 1772705931 LAQKUVSCBJSUFH-UHFFFAOYSA-N 365.869 1.130 0 50 FDAA COc1ccccc1CN1C[C@@H](C(=O)N2CCC(C3(O)CC3)CC2)CC1=O 1772813628 KMTNWNPXRVKXOT-INIZCTEOSA-N 372.465 1.807 0 50 FDAA Cc1nc(C(=O)N2CCCN(CC[C@H]3CCS(=O)(=O)C3)CC2)cs1 1772810787 LTFUBQZBWFUVKV-AWEZNQCLSA-N 371.528 1.424 0 50 FDAA Cn1nccc1-n1nc([C@@H]2CCOC2)nc1-c1c2c(nn1C)CCCC2 1772808193 IIJNXNGLOUXVRT-GFCCVEGCSA-N 353.430 1.784 0 50 FDAA Cc1ccccc1CC(=O)N1C[C@H]2CN(c3nccs3)C[C@@]2(CO)C1 1772804269 KSPFFJJNKTWFJS-QFBILLFUSA-N 357.479 1.951 0 50 FDAA c1cncc(OCCCNc2nc3nonc3nc2N2CCSCC2)c1 11665476 OYYLOBKSYDPSGX-UHFFFAOYSA-N 373.442 1.842 0 50 FDAA COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)NC(C)C 12004514 WGNQNYISUWSUAU-UHFFFAOYSA-N 362.473 1.312 0 50 FDAA O=C(NCCc1cn[nH]c1)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 12442418 WBLJQYCQMMKTFR-GOSISDBHSA-N 354.454 1.940 0 50 FDAA CCOC(=O)[C@@]1(CCc2ccccc2)CCCN(C(=O)CNC(C)=O)C1 12464370 SYXBFRMPUYASGJ-HXUWFJFHSA-N 360.454 1.927 0 50 FDAA CCc1cc(S(=O)(=O)N2C[C@@H]3CCOC[C@]3(CO)C2)ccc1OC 1857669587 HGMLMOWTVMHORN-WMLDXEAASA-N 355.456 1.277 0 50 FDAA Cc1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)c3ccc4c[nH]nc4n3)C1)CC2 1857711552 GFKLUILZOIRDMY-IBGZPJMESA-N 364.409 1.882 0 50 FDAA CCCO[C@H]1C[C@@H](c2nc(CC(N)=O)nn2-c2cccc(C)n2)CC[C@@H]1N 1857715988 QUWLHRYYLDXVMZ-KKUMJFAQSA-N 372.473 1.389 0 50 FDAA COc1cc(-c2cc(=NC(=O)C3CCOCC3)[nH][nH]2)cc(OC)c1OC 1857717731 VRJIQCKVPGMRBM-UHFFFAOYSA-N 361.398 1.890 0 50 FDAA O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)N1CC[C@H](CO)C1 119541043 ZDUMLAWEFRUQMV-AWEZNQCLSA-N 353.413 1.953 0 50 FDAA CCOc1ccc(S(=O)(=O)N(C)C[C@H]2CCc3nccn3C2)cn1 328617218 CMODNOOGXSSTLB-CYBMUJFWSA-N 350.444 1.560 0 50 FDAA CCS(=O)(=O)N1C[C@@H]2OC(=O)N(CCCc3ccc(F)cc3)[C@@H]2C1 253488585 BDTRWYVZTUIROD-CABCVRRESA-N 356.419 1.613 0 50 FDAA O=C([C@H]1CCCc2ccccc21)N1CCC(O)(CN2CCOCC2)CC1 371778248 PGEKMEWUPNNEQA-IBGZPJMESA-N 358.482 1.792 0 50 FDAA O=C(C1CCS(=O)(=O)CC1)N1CCNC[C@H]1c1cccc(Cl)c1 262159715 XXVLEQILPYVCGW-HNNXBMFYSA-N 356.875 1.638 0 50 FDAA CC(C)Cn1[nH]c(CC(=O)N2Cc3ccccc3NC(=O)[C@H]2C)cc1=O 821487008 GHNIXGPBFLEKGO-CYBMUJFWSA-N 356.426 1.744 0 50 FDAA Cc1nnc([C@]23CCC[C@H]2CN(S(=O)(=O)c2cnn(C)c2C)C3)o1 952849607 OATPEGDTFPMMFX-WFASDCNBSA-N 351.432 1.162 0 50 FDAA COc1ncc(C(=O)N2C[C@H](c3n[nH]c(C(C)C)n3)[C@@H](C3CC3)C2)cn1 952849004 PVKZFEYADOQIBC-KGLIPLIRSA-N 356.430 1.993 0 50 FDAA Cc1nc(CC2CC2)oc1C(=O)N1Cc2nnc(C)n2C[C@@H]1CN(C)C 952848239 DDWNUXNWPWGJHQ-AWEZNQCLSA-N 358.446 1.422 0 50 FDAA CCN1CCN(c2ccc(C(=O)OCc3cc(O)nc(O)n3)cc2)CC1 1875260244 ODSAPJVSDACJOU-UHFFFAOYSA-N 358.398 1.387 0 50 FDAA CCOC(=O)[C@@H](CCCOC)NC(=O)C[C@H]1C(=O)Nc2ccc(F)cc21 1875298620 HOXQWBFRUDODFF-UKRRQHHQSA-N 366.389 1.726 0 50 FDAA Cc1ccccc1C(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)CC1 1875327224 PTQOMLNHRNGUCJ-BFYDXBDKSA-N 357.454 1.821 0 50 FDAA CN(C)Cc1cc(O[C@@H]2CCN(Cc3cc(=O)n4nccc4[nH]3)C2)ccn1 886096626 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372.360 1.970 0 50 FDAA NS(=O)(=O)c1ccc(-n2nc(-c3ccncc3)nc2[C@@H]2CCNC2)cc1 96141544 PEGAGCYBILGMJG-CYBMUJFWSA-N 370.438 1.054 0 50 FDAA CC1=NO[C@@H](C(=O)N2CCC3(CCC(=O)N(Cc4cccnc4)C3)CC2)C1 91943764 MGSZIGLNHRENBO-QGZVFWFLSA-N 370.453 1.978 0 50 FDAA COCCN1C[C@H]2CC[C@@H]1CN(C(=O)CCn1c(=O)[nH]c3ccccc31)C2 91768788 RVBSKVBANDSYDR-HZPDHXFCSA-N 372.469 1.289 0 50 FDAA COc1cccc(N2CCN(C(=O)C3(Cn4ccnc4)CC3)CC2=O)c1 244734266 NCELVQAMFVMIIE-UHFFFAOYSA-N 354.410 1.547 0 50 FDAA COc1ccc([C@H]2Cn3nnc(C(=O)NCc4cn[nH]c4C)c3CO2)cc1 263617412 NRARTJYENVURML-MRXNPFEDSA-N 368.397 1.520 0 50 FDAA CN(c1cc([C@H]2CCOC2)nc(NCCO)n1)C1Cc2ccccc2C1 299771227 URBYCZLLPCXGEB-INIZCTEOSA-N 354.454 1.988 0 50 FDAA O=C(Cc1cccc(O)c1)NC1CCN(C2CCS(=O)(=O)CC2)CC1 299765075 UMXSTGYWIBTTQT-UHFFFAOYSA-N 366.483 1.093 0 50 FDAA CCCc1cc(C(=O)NC2CCN(C3CCS(=O)(=O)CC3)CC2)[nH]n1 299760797 KDSPYBQDELBAFL-UHFFFAOYSA-N 368.503 1.134 0 50 FDAA CN(C)S(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)nn1C 299800843 VZCREPWJEXACQQ-UHFFFAOYSA-N 351.432 1.100 0 50 FDAA CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cn1 497967530 VOJJUZMBEIQEOY-ZJUUUORDSA-N 351.350 1.293 0 50 FDAA CCCN1C[C@@H](NS(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)o2)CC1=O 670462614 QGVVJPPQIXKYMM-LBPRGKRZSA-N 366.443 1.576 0 50 FDAA NC(=O)c1csc(S(=O)(=O)NCCN2CCCc3ccccc32)c1 670441497 HWZIQZDHQJPPAQ-UHFFFAOYSA-N 365.480 1.578 0 50 FDAA Cc1cc(=O)c(C(=O)NCCN2N=C(c3ccccc3)CCC2=O)c[nH]1 952985284 RPWJLXIKQCIARF-UHFFFAOYSA-N 352.394 1.440 0 50 FDAA COc1ccc(NC(=O)c2cccc(OCC(N)=O)c2)cc1C(=O)N(C)C 952977141 BBRZNCHIGIOSBZ-UHFFFAOYSA-N 371.393 1.513 0 50 FDAA Cn1cc(CN(C(=O)[C@@H]2CCCN(CC(N)=O)C2)C2CCCCC2)cn1 952964404 LQXMDALMWFTFKQ-MRXNPFEDSA-N 361.490 1.279 0 50 FDAA COCCCN1C(=O)CC[C@@H]2CN(c3nc(C(N)=O)cs3)CC[C@@H]21 1565513174 NCTVGOWPDKQDCW-YPMHNXCESA-N 352.460 1.096 0 50 FDAA Cc1nc(N2CCN(C)CC2)ncc1C(=O)N1C[C@H](C(C)C)[C@@H](N(C)C)C1 1565513346 HINGSAMYQLOEOT-MSOLQXFVSA-N 374.533 1.195 0 50 FDAA Cc1cc(C(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)ccn1 279257923 QGBNAFXUMSXPDJ-UHFFFAOYSA-N 359.451 1.927 0 50 FDAA C[C@@H]1CCNC(=O)[C@@H]1NC(=O)N1CCN(c2cccc(Cl)c2)CC1 194026758 LHTQBLJBMOVEJW-IUODEOHRSA-N 350.850 1.696 0 50 FDAA CN(C)S(=O)(=O)C[C@H]1CN(Cc2cccc(Cl)c2Cl)C[C@@H]1O 1616071773 NWZAUIUXKJZQCL-YPMHNXCESA-N 367.298 1.678 0 50 FDAA COc1ccc(CN2C[C@@H](O)[C@H](Cc3ccncc3)C2)cc1OCC(=O)O 1529172522 NNOAXXUHJGLNPQ-IAGOWNOFSA-N 372.421 1.589 0 50 FDAA C[C@H]1CCN(S(=O)(=O)c2sccc2Br)[C@@H]1C(=O)O 230111253 CLOOUHYPCGUSEN-XPUUQOCRSA-N 354.247 1.994 0 50 FDAA C[C@H]1C(=O)N2CCC[C@@H]2CN1S(=O)(=O)c1cccnc1C(F)(F)F 1772711937 LUGRHDFSLOHFLG-VHSXEESVSA-N 363.361 1.484 0 50 FDAA O=C(CCc1cn[nH]c1)N1C[C@H]2COC[C@@H]1CN(Cc1ccsc1)C2 1772704681 ORSMIPBFAAGYGX-IRXDYDNUSA-N 360.483 1.763 0 50 FDAA O=C(c1ccsc1)N1C[C@H]2CN(C(=O)C3CCOCC3)C[C@]2(CO)C1 1772712442 MOLQJYOFQDBEFV-CRAIPNDOSA-N 364.467 1.068 0 50 FDAA O=C(c1ccc(-n2cnnn2)cc1)N1CCN(c2ccc(F)cc2)CC1 12324242 WHPCNHZZZNHLMZ-UHFFFAOYSA-N 352.373 1.764 0 50 FDAA O=c1[nH]c2ccc(S(=O)(=O)NC3CCCCCCC3)cc2[nH]c1=O 13582178 CZNRTPMRZWTSKP-UHFFFAOYSA-N 351.428 1.608 0 50 FDAA COc1cccc(-n2nnnc2SCC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 16577660 YSSAFMKEHAEIND-RYUDHWBXSA-N 363.443 1.399 0 50 FDAA O=C(Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O)NC1CCCC1 169752497 HMLYYVWTBDLMKQ-UHFFFAOYSA-N 366.421 1.714 0 50 FDAA CC[C@@]1(C(=O)N2CCSCC2)C[C@@H]2CC[C@H]1N2C(=O)c1nonc1C 1857676799 XVAXECOOMSBFJC-OGHNNQOOSA-N 364.471 1.727 0 50 FDAA NS(=O)(=O)c1ccc(C(=O)Nc2ccnn2Cc2cccnc2)cc1 1875244328 HCVIRPVTPAYVJV-UHFFFAOYSA-N 357.395 1.226 0 50 FDAA Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NCc1cccc(N(C)C)n1 152002992 CPMNNFFSPADARH-QGZVFWFLSA-N 365.441 1.543 0 50 FDAA NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)CCc1ccc2c(c1)CCO2 373111179 KSEFDSABEZQJSP-INMHGKMJSA-N 364.467 1.080 0 50 FDAA Cc1ccccc1C(=O)NC1CCN(C[C@H](O)CN2CCCC2=O)CC1 157615540 WPDDVLNRTPRMHI-KRWDZBQOSA-N 359.470 1.173 0 50 FDAA CN(CC(=O)O)C[C@H]1CN(C(=O)c2cc(Cl)ccc2Cl)CCO1 262995082 WCRVASRIZIYJBH-NSHDSACASA-N 361.225 1.851 0 50 FDAA Cn1ccnc1[C@@H]1OCCC[C@H]1CNc1cc(N2CCOCC2)ncn1 858008782 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COCc1nsc(N2CC[C@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)C2(C)C)n1 1875405566 JTJQUCZQVHUTOE-SRRSOLGSSA-N 352.460 1.050 0 50 FDAA CC(C)c1c(C(=O)NCCO)nnn1-c1ccc(Br)cc1 16651908 HEGJKOCBFQDHQV-UHFFFAOYSA-N 353.220 1.875 0 50 FDAA Cc1c(-c2ccccc2)oc2c(C(=O)NC[C@@H](O)C(=O)O)cccc2c1=O 2325731150 PRVNCBSYCHYFGT-OAHLLOKOSA-N 367.357 1.944 0 50 FDAA Cc1cccc(CN(CC(=O)O)C(=O)[C@@H]2CC(=O)Nc3ncccc32)c1 2325813093 KTDLMPJRHCYSGY-OAHLLOKOSA-N 353.378 1.929 0 50 FDAA CC[C@@H]1CCCCN1CCCNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 4687801 GNRAWKAFQIPKTA-HZPDHXFCSA-N 359.536 1.429 0 50 FDAA CC(=O)Nc1ccc(S(=O)(=O)N2CCC(N3CCCC3)CC2)cc1 4744131 VUVYWKWBSZCPQG-UHFFFAOYSA-N 351.472 1.894 0 50 FDAA O=C([C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 6741716 SUOVENHCDDTQLA-AWEZNQCLSA-N 358.847 1.352 0 50 FDAA C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCN2C2CCOCC2)C(=O)N1c1ccccc1 245675791 HEWLOBAUKYCMNA-ATZDWAIDSA-N 371.481 1.940 0 50 FDAA Cc1noc(-c2ccnc(-c3cnn(CC(=O)Nc4ccnn4C)c3)c2)n1 23231517 JGQJLDVBTBVWDS-UHFFFAOYSA-N 364.369 1.676 0 50 FDAA O=C(Cn1ncn2cccc2c1=O)N1CCC(CCn2cccn2)CC1 23399625 ZIETUAXXNPLATD-UHFFFAOYSA-N 354.414 1.021 0 50 FDAA O[C@@H]1CCCN(c2ccnc(N3CCCN(Cc4cccnc4)CC3)n2)C1 108201309 PSNUUCYRIPMFTB-GOSISDBHSA-N 368.485 1.545 0 50 FDAA CC(=O)NCC(=O)N1CC[C@@]2(CCCN(Cc3cccc(C)c3)C2=O)C1 20255851 AWPORXMWSCLHQL-FQEVSTJZSA-N 357.454 1.472 0 50 FDAA COc1ccccc1N1CCN([C@H]2CN(Cc3ccoc3)C[C@@H]2O)CC1 20601124 KTHPXOCSGWUBNU-OALUTQOASA-N 357.454 1.656 0 50 FDAA COc1ccc(F)c(CN2CCC[C@](O)(CN3CCOCC3)C2=O)c1 67868992 DDEKZARZKUSBGG-SFHVURJKSA-N 352.406 1.020 0 50 FDAA Cc1ccc2nc(CCCN3CC(=O)N4CC[C@@H](O)C[C@H]4C3=O)[nH]c2c1C 67674165 CYAONQQZICYNQI-ZBFHGGJFSA-N 370.453 1.306 0 50 FDAA COCCN(C[C@H]1CCCO1)C(=O)c1cn2c3c(cccc3c1=O)CC2 65436086 XSGIVWDXEBLGHE-OAHLLOKOSA-N 356.422 1.825 0 50 FDAA CC(C)CC(=O)Nc1ccnn1C1CCN(Cc2cc(=O)[nH]c(O)n2)CC1 67868664 RMORGPMEWCTAIO-UHFFFAOYSA-N 374.445 1.494 0 50 FDAA COc1ccc(-c2n[nH]cc2CN2C[C@@H](N)C[C@H]2C(=O)NC(C)C)cc1 67714242 DNICSBCRJPXRBX-RDJZCZTQSA-N 357.458 1.512 0 50 FDAA 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FDAA Cn1ccnc(N2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)c1=O 268044429 PNBXVRSEQMWRHG-CQSZACIVSA-N 352.394 1.925 0 50 FDAA CC(=O)c1cc(C(=O)N2C[C@@H]3CN(C4CCCCC4)C[C@]3(C(=O)O)C2)n[nH]1 1565508843 YKFSQSYGVNTGNZ-DJJJIMSYSA-N 374.441 1.404 0 50 FDAA C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCCO3)C[C@]1(O)C1CC1 1565506358 YWIBGHFNOPGKLK-YVEFUNNKSA-N 353.440 1.629 0 50 FDAA O=C(NS(=O)(=O)c1ccsc1)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F 408489207 QNOCVZWCRCGUSS-KYXWUPHJSA-N 355.359 1.909 0 50 FDAA CCNC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc3c(c2)CCCO3)C1 271651209 HZMXTUNTVNYFQC-CYBMUJFWSA-N 353.444 1.094 0 50 FDAA Cn1ccc(N2CCC[C@H](N3C(=O)[C@@H]4C[C@H]5CCCC[C@@H]5N4C3=O)C2=O)n1 272093060 GPGBIEAFCRTCGA-QPSCCSFWSA-N 371.441 1.511 0 50 FDAA Cn1c([C@@H]2CCCN2CCN2C(=O)NC(C)(C)C2=O)nc2c1CCCC2 275584095 FVLSSDAZAHDSFF-HNNXBMFYSA-N 359.474 1.766 0 50 FDAA CC(=O)NC[C@H]1CCn2ncc(C(=O)NC[C@H](O)c3cccc(F)c3)c2C1 277253632 QDJNOLSFTPPJAX-UGSOOPFHSA-N 374.416 1.184 0 50 FDAA Cc1cccc(N2CCN(CCN3C(=O)[C@@H]4CCCN4C3=O)CC2)c1C 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O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)N1CCOCC1 265127098 HLMOWQYMADHGBF-CYBMUJFWSA-N 373.331 1.732 0 50 FDAA CCOC(=O)CS[C@H](CNC(=O)N=c1[nH]nc(C)s1)C(F)(F)F 1875269863 KHWUWLKANVPCGH-SSDOTTSWSA-N 372.394 1.617 0 50 FDAA C[C@H](C[C@H]1CCOC1)NC(=O)N1CCC(c2nc(N(C)C)no2)CC1 1875252893 YBAGWDSYMKXWDJ-CHWSQXEVSA-N 351.451 1.840 0 50 FDAA Cn1nccc1-c1ccc(=N[C@@H]2C[C@H](Cn3cc(Cl)cn3)C[C@H]2O)[nH]n1 1875398782 DZXJIHCYIJECDT-SGIREYDYSA-N 373.848 1.401 0 50 FDAA Cc1cnc(C(=O)N[C@@H](C)CN(C)c2ccnc3nc(C)nn23)c(C)c1 1875361139 QSXZCISIWZGNNP-ZDUSSCGKSA-N 353.430 1.699 0 50 FDAA NC1(c2nccc(C(=O)NCCn3cc(Cl)c(C(F)(F)F)n3)n2)CC1 1875404759 TYCMDVKRYGNABC-UHFFFAOYSA-N 374.754 1.723 0 50 FDAA C/C(=C\C(=O)N1CCN([C@]2(C(N)=O)CCOC2)CC1)c1ccccc1C 886096640 MUWZCYRGMZMYSE-MQMQVCBVSA-N 357.454 1.187 0 50 FDAA CCCNC(=O)[C@H]1CC[C@@H](OC)[C@H](NC(=O)c2nnc3n2CCCC3)C1 2100477946 MHZXMZUIFKLARK-BFHYXJOUSA-N 363.462 1.054 0 50 FDAA N[C@H]1CCCN(C(=O)c2ccc(=NCCn3ncc4ccccc43)[nH]c2)C1 2325798622 HUMUMNNZIGZHJR-KRWDZBQOSA-N 364.453 1.529 0 50 FDAA NCC[C@H](C(=O)N[C@H](CO)[C@H]1CC=CCC1)c1c[nH]nc1C(F)(F)F 2325829282 FHNBXGLDFHEMMM-GMXVVIOVSA-N 360.380 1.694 0 50 FDAA C=CC(=O)N1CCC(C(=O)Nc2cc(-c3nc(O)n[nH]3)ccc2C)CC1 2325884325 KIRAVSNIGFEOCQ-UHFFFAOYSA-N 355.398 1.849 0 50 FDAA CN1CCc2c(n(C[C@@H](O)CNC[C@@H]3CCCO3)c3ccccc23)C1=O 803234 QFXPZVNWRKDXDF-GJZGRUSLSA-N 357.454 1.399 0 50 FDAA biogenic O=C(c1cncnc1O)N1CCC[C@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356139662 VTCMSHWJZLMSNG-NJSLBKSFSA-N 374.441 1.083 0 50 FDAA Cc1[nH]c2ccc(C(=O)N3CC[C@@H](O)[C@@]4(CCCNC4=O)C3)cc2c1C 2356142728 FGIUQWBZBXKUBL-YLJYHZDGSA-N 355.438 1.888 0 50 FDAA O[C@@H]1C[C@@H](O)CN(c2nnnn2Cc2ccc(-c3ccccc3)cc2)C1 2356148793 SCAYPLKVJCIEEM-QZTJIDSGSA-N 351.410 1.320 0 50 FDAA CO[C@H]1C[C@@H](C(=O)NCc2cccc(F)c2)CC[C@@H]1NC(=O)c1cn[nH]c1 2356154089 HTDNRKDCMCLBNK-JQFCIGGWSA-N 374.416 1.779 0 50 FDAA CCOCCn1c(=O)n(Cc2c(C)noc2C)c2cc(C(=O)O)cnc21 55371587 IMUDJDSYMPUROO-UHFFFAOYSA-N 360.370 1.586 0 50 FDAA O=C([C@@H](c1ccccc1)S(=O)(=O)c1nnc(O)[nH]1)N1CCCCC1 225683550 VGTKREPCIJQBIN-GFCCVEGCSA-N 350.400 1.038 0 50 FDAA O[C@@H]1CN(Cc2c[nH]cn2)CC[C@H]1N1CCN(CCc2ccccc2)CC1 23375349 UTXZFVHKRPMCBP-NHCUHLMSSA-N 369.513 1.205 0 50 FDAA COC(=O)CN1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)[C@H](C)C1=O 55575570 WZDXYTZCKGRVAA-GFCCVEGCSA-N 360.389 1.422 0 50 FDAA Cc1cc2[nH]cc(C(=O)N3CC[C@]4(CCCN(C(C)C)C4=O)C3)c(=O)n2n1 102621352 XTKBEPMZVTZILS-LJQANCHMSA-N 371.441 1.194 0 50 FDAA CCNc1nc(C)c(C(=O)N2CCc3c(c(C(=O)O)nn3CC)C2)s1 67850893 USNHVQOSPQTTFD-UHFFFAOYSA-N 363.443 1.996 0 50 FDAA CC[C@@H](C(=O)NC[C@@H]1CCCO1)N(c1ccccc1F)S(C)(=O)=O 67603401 HMROGDAIYCTHPO-JSGCOSHPSA-N 358.435 1.666 0 50 FDAA O=C1NCCN2CCN(C(=O)c3ccc4c5c([nH]c4c3)CCCC5)C[C@@H]12 67982524 RLNOLEMQZUCSLL-SFHVURJKSA-N 352.438 1.303 0 50 FDAA O=C(NCc1cccc(OC(F)F)c1)c1cn(C[C@@H]2CCCNC2)nn1 67878226 HQOCWOVXCWHZEK-CYBMUJFWSA-N 365.384 1.809 0 50 FDAA CCN1CCN(S(=O)(=O)c2cn(CC(C)C)cn2)C[C@H]1c1ncc[nH]1 328629584 OZTZKULWMUJBEU-AWEZNQCLSA-N 366.491 1.330 0 50 FDAA O=C1CC[C@@H](C(=O)NCc2cccnc2N2CCc3ccccc3C2)N1 12026101 PJEWVWVGQPTKDG-KRWDZBQOSA-N 350.422 1.539 0 50 FDAA Cn1nc(C(=O)O)c2c1CCN(C(=O)[C@@H](Cc1cnc[nH]1)n1cccc1)C2 67724757 LYWFTFHLSLRDOK-OAHLLOKOSA-N 368.397 1.012 0 50 FDAA Cc1cccc(CN2CCN(C(=O)c3cc(C)nc(N)n3)[C@@H](C)C2=O)c1 219315891 SBJKVEUDGRHXLX-AWEZNQCLSA-N 353.426 1.549 0 50 FDAA CCCCCCN1CC2(CCN(C(=O)CN3CCOCC3)CC2)OC1=O 77488495 BHMTWBCFCYHGBY-UHFFFAOYSA-N 367.490 1.712 0 50 FDAA CCCCc1nn(CC(=O)N2CCc3nc(N)sc3C2)c(=O)n1CC 77459416 QDJLVCHDCKWHCH-UHFFFAOYSA-N 364.475 1.031 0 50 FDAA CCn1c(CN(C)C)nnc1C1CCN(C(=O)c2ccnc(NC)c2)CC1 77436487 KGQHMIXPFJSRMH-UHFFFAOYSA-N 371.489 1.816 0 50 FDAA COc1ccc(C[C@@H]2CN(C(=O)Cc3cnc(C)[nH]c3=O)CCO2)cc1 71405781 PBFXIUJTEQYAQX-QGZVFWFLSA-N 357.410 1.100 0 50 FDAA COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)O)[C@H]21 216626314 AGXGSNYQLWDOEM-KRWDZBQOSA-N 368.345 1.903 0 50 FDAA biogenic COc1cc(CN2CCC[C@@](O)(CO)C2)cc(Cl)c1OCC(=O)O 72458350 HVQXWCWNVIMMNR-INIZCTEOSA-N 359.806 1.131 0 50 FDAA CN1C[C@@H](C(=O)NCc2ccccc2S(N)(=O)=O)Cc2ccccc21 376522006 IRSODYZWVFMNIC-HNNXBMFYSA-N 359.451 1.259 0 50 FDAA CCC(=O)N1CCCC[C@@H]1C(=O)NS(=O)(=O)Cc1ccc(C)cc1F 240465818 GALIYMZGUXEWCP-OAHLLOKOSA-N 370.446 1.871 0 50 FDAA COCCN1CC[C@H](NS(=O)(=O)c2ccc3c(c2)N(C)CCC3)C1 372438734 QPWUBVGCMAUPAL-HNNXBMFYSA-N 353.488 1.068 0 50 FDAA CCN1CC2(CCN(CC(=O)N3CCOc4ccccc43)CC2)OC1=O 77407080 VCEYGQCKBXXPSR-UHFFFAOYSA-N 359.426 1.719 0 50 FDAA CNC(=O)c1cc(O[C@H]2CCN(C(=O)c3conc3C3CC3)C2)ccn1 377957160 XCLLWRRTNRTNFY-ZDUSSCGKSA-N 356.382 1.600 0 50 FDAA COc1cccc(CC(=O)N2CCC[C@]3(CCC(=O)N(CCO)C3)C2)c1 77451869 GLEYLXIFPHWMMD-FQEVSTJZSA-N 360.454 1.461 0 50 FDAA CS(=O)(=O)c1cnc(NCC2CCOCC2)nc1[C@H]1CCCNC1 72478154 KFQBBIQLBZJUEJ-ZDUSSCGKSA-N 354.476 1.186 0 50 FDAA O=C(O)[C@H]1CC2(CCN(C(=O)C3CC3)CC2)CN1C(=O)CCc1ccco1 72439841 FJKQTECGBYIBDF-MRXNPFEDSA-N 374.437 1.917 0 50 FDAA O=C(NCCN1CCOCC1)C1(N2CCCCC2)Cc2ccccc2C1 72167079 HTVYOCCNZATJRF-UHFFFAOYSA-N 357.498 1.458 0 50 FDAA CC(C)c1cc(C(=O)N2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)nn1C 284536301 FUEKEEQIGYVPRE-OAHLLOKOSA-N 358.446 1.933 0 50 FDAA C[C@H](NC(=O)N1CCNC(=O)CC1)c1nc(-c2ccc(Cl)cc2)no1 80566231 JYNLRZAXYCQYEN-JTQLQIEISA-N 363.805 1.983 0 50 FDAA O=C(NC1CCN(C(=O)N2CCCC2)CC1)c1nc2ccccc2c(=O)[nH]1 222523269 RSNKLCWIJPXJPY-UHFFFAOYSA-N 369.425 1.333 0 50 FDAA CC(C)(C[C@H]1CCCN(C(=O)NC2CCC(C(=O)O)CC2)C1)C(N)=O 263485463 PFZUBKCVALYFPN-IYXRBSQSSA-N 353.463 1.953 0 50 FDAA NCc1nnc(SCC[C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1 426628899 WTUKNTOVRMTZQZ-AWEZNQCLSA-N 366.512 1.702 0 50 FDAA NCCOc1cccc(CC(=O)NCc2csc(-c3ncccn3)n2)c1 426396359 FOZSCBVLCPAQTE-UHFFFAOYSA-N 369.450 1.797 0 50 FDAA Cc1ccccc1OC[C@H](O)C(=O)N1CCN(C(=O)c2ccc[nH]2)CC1 223714890 RWCUCKKDSGXHQN-INIZCTEOSA-N 357.410 1.047 0 50 FDAA Cc1nc2cc(C(=O)N3CCC(c4nccn4CC(N)=O)CC3)ccc2[nH]1 95497312 DNXUIIOJHZSZJP-UHFFFAOYSA-N 366.425 1.573 0 50 FDAA CC[C@@H](O)C(=O)N1CCC2(CCC(=O)N(CCc3ccncc3)C2)CC1 91755155 NYMSEOUVGAPNHM-QGZVFWFLSA-N 359.470 1.626 0 50 FDAA CN(CCc1noc(C(F)(F)F)n1)C(=O)[C@H]1CC(=O)OC12CCCC2 426563085 HVEIQTQZZQSJQZ-SECBINFHSA-N 361.320 1.965 0 50 FDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(c1ccncc1F)CC2 91908087 SJXJMQUFGZPPPA-UHFFFAOYSA-N 359.405 1.471 0 50 FDAA Cc1cccnc1N1CCN(c2cc(C(=O)N3CCOCC3)ccn2)CC1 96163667 NCWDPSVLQLQNJP-UHFFFAOYSA-N 367.453 1.584 0 50 FDAA O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)N(C(=O)CN1CCOCC1)C2 95382489 MTRNPEMOCLYRFF-FUHWJXTLSA-N 357.454 1.082 0 50 FDAA CN(Cc1noc2c1CCCC2)C(=O)[C@@H](Cc1ccccc1)n1cnnn1 426489603 JFGAHWYJHPHLRE-QGZVFWFLSA-N 366.425 1.982 0 50 FDAA COCCN1C[C@@H](Nc2nc(C)nc3c2Cc2ccccc2OC3)CC1=O 97797591 XIZODLQDBZSQOY-HNNXBMFYSA-N 368.437 1.927 0 50 FDAA Nc1ncc(C(=O)NCc2cn3c(n2)SCC3)c(-c2ccccc2)n1 97813786 UFJMGHIACYCLEY-UHFFFAOYSA-N 352.423 1.958 0 50 FDAA Cc1ccccc1-n1nc(C(=O)N2CCO[C@H](C(=O)O)C2)c2c1CCC2 237745886 YLUNAHDSPKCNFG-INIZCTEOSA-N 355.394 1.595 0 50 FDAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cnc(-c2cccnc2)nc1O 91416961 TYTNQOXFAUMHRV-HNNXBMFYSA-N 369.425 1.717 0 50 FDAA CN(C[C@@H]1CCOC1)S(=O)(=O)c1cccc(C(=O)NC2CCC2)c1 95379850 QSRDKIWFFDNMIT-ZDUSSCGKSA-N 352.456 1.626 0 50 FDAA CC(C)c1cc(C(=O)NCc2cc3n(n2)CCN(C(=O)N(C)C)C3)[nH]n1 92078273 KVAYMHBJYKQSER-UHFFFAOYSA-N 359.434 1.157 0 50 FDAA Cc1ccc([C@H](C(=O)N2CCN(Cc3nccn3C)CC2)N(C)C)cc1 95369739 NSLMQRXNXDPMNM-LJQANCHMSA-N 355.486 1.676 0 50 FDAA O=C(c1cccc(S(=O)(=O)NCCCO)c1)N1CC[C@@H]1c1ccccc1 97657086 LFJIIQJWJGZUQP-GOSISDBHSA-N 374.462 1.935 0 50 FDAA Cc1nc(-c2nc(C3CCOCC3)nn2[C@@H]2CCS(=O)(=O)C2)cs1 96130463 OJJFDUMRAXPAMO-GFCCVEGCSA-N 368.484 1.964 0 50 FDAA Cn1nc(C(=O)N[C@H](Cc2ccccn2)[C@H]2C[C@H](O)C2)c2c1CCCC2 244795147 RANCHDXKPAKFID-FRFSOERESA-N 354.454 1.806 0 50 FDAA CO[C@@H]1O[C@H](CO)[C@@H]2OC(C)(C)O[C@H]2[C@@H]1OCOCC[Si](C)(C)C 257357239 MUVIOCJEPYMKCS-QKGCVVFFSA-N 364.511 1.568 0 50 FDAA CC(=O)N[C@H]1C[C@@H](c2cc(NCCc3nc(C)cc(O)n3)nc(C)n2)C1 253534934 XUSZPZXGDSKEKS-OKILXGFUSA-N 356.430 1.626 0 50 FDAA COc1ccccc1-n1cc([C@@H](C)NC(=O)N2CCN(C(C)=O)CC2)cn1 534592098 CTUABKKJHGMAJE-CQSZACIVSA-N 371.441 1.816 0 50 FDAA O=C(Nc1ccc2c(c1)OC(F)(F)O2)C1(n2cccn2)CCNCC1 261887943 GAYHRXIORYWGDD-UHFFFAOYSA-N 350.325 1.922 0 50 FDAA Cc1nc2c(c(N3CCCC3)n1)CCN(C(=O)CCCn1cncn1)C2 299791377 DYRTZRHPDAYMTG-UHFFFAOYSA-N 355.446 1.342 0 50 FDAA O=C(Cc1cc[nH]n1)N1CCC2(CCc3c(O)nc(C4CC4)nc32)CC1 1940195096 LTZJNVUOOWQNCZ-UHFFFAOYSA-N 353.426 1.832 0 50 FDAA Cc1n[nH]c(C2CCN(C(=O)c3ccc(Cn4cnnn4)cc3)CC2)n1 299769570 YIOHNTPKAZELSJ-UHFFFAOYSA-N 352.402 1.168 0 50 FDAA CNc1nc([C@H]2CCOC2)cc(N2CCN(Cc3nonc3C)CC2)n1 299783066 VUNGWDWZKVDYDQ-ZDUSSCGKSA-N 359.434 1.036 0 50 FDAA Cc1noc(C)c1CN1CC[C@@H](NC(=O)c2ccc3c(c2)OCO3)[C@H](O)C1 299757829 KCJISEJSZGIIHC-HZPDHXFCSA-N 373.409 1.385 0 50 FDAA CC1(C)SC[C@H](C(=O)NCc2cnn(-c3ccc(F)cc3)c2)NC1=O 299760215 OXRUYSLGKUKEBY-CQSZACIVSA-N 362.430 1.638 0 50 FDAA O=C(NCCn1cnnc1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 299775947 MCKZSEHCTRRUMR-UHFFFAOYSA-N 368.363 1.725 0 50 FDAA Cn1cncc1C(=O)N1CCOC2(CCN([C@H]3CCSC3)CC2)C1 825644276 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CN1C(=O)c2ccc(S(=O)(=O)N3CCC(C(F)F)CC3)cc2C1=O 332581832 AVNOBFNAFZQKOG-UHFFFAOYSA-N 358.366 1.578 0 50 FDAA C=CCN1C[C@]2(C(=O)O)CN(c3ccc4cccc(OC)c4n3)C[C@@H]2C1=O 216244179 YSOHAVDFXVMMNF-VLIAUNLRSA-N 367.405 1.779 0 50 FDAA O=C(Cc1ccc(-n2cccn2)cc1)N1CCC[C@H](N2CCNC2=O)C1 368806963 URSUADNPYHMBCN-KRWDZBQOSA-N 353.426 1.431 0 50 FDAA Cc1c(C(=O)N(C)[C@@H]2CCN(C)C2=O)nnn1-c1ccc(F)c(Cl)c1 265659032 OCLZGNXYTNSKAF-CYBMUJFWSA-N 365.796 1.671 0 50 FDAA COCCn1nc(C)c(NS(=O)(=O)c2cc(C(=O)O)cs2)c1C 267493160 DNZYAEHPNDVKNC-UHFFFAOYSA-N 359.429 1.707 0 50 FDAA Cc1cnccc1CN1CC(N2C[C@H](c3nc(C4CC4)no3)CC2=O)C1 864311489 DKIZKPVNNJGDRY-OAHLLOKOSA-N 353.426 1.851 0 50 FDAA Cc1cc2[nH]c(O)nc2cc1S(=O)(=O)N1C[C@]2(C)CN(C)C[C@]2(C)C1 1875313795 VCQBDFKYQOVQHB-CALCHBBNSA-N 364.471 1.539 0 50 FDAA C[C@H](O)Cc1cn(C2(C(=O)N3CCO[C@@H](c4ccccc4)C3)CC2)nn1 1875317896 MBZOZJILIMBESN-WMLDXEAASA-N 356.426 1.291 0 50 FDAA Cc1nc(CN2CCN(C(=O)c3n[nH]c4c3C[C@@H](C)O[C@H]4C)CC2)oc1C 1875394604 OYEWHHGSVZTWKI-RISCZKNCSA-N 373.457 1.995 0 50 FDAA CC(C)n1ccc(CC(=O)N[C@@H]2C[C@H](Cn3cc(Cl)cn3)C[C@H]2O)n1 1875402314 FPHMHJCNMGQOOD-APHBMKBZSA-N 365.865 1.812 0 50 FDAA O=C(Cc1c[nH]c2cccnc12)N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O 1875403323 STWUPJSCEMGDIF-IUIKQTSFSA-N 373.844 1.911 0 50 FDAA Cc1ccn2ncc(C(=O)N3CCC[C@@](O)(Cc4nc(C)no4)C3)c2c1 886097177 YXISSTVPFGUHLP-GOSISDBHSA-N 355.398 1.544 0 50 FDAA Cn1cnnc1C[C@]1(O)CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 886084815 JOWAQXGLAIKKSK-LJQANCHMSA-N 353.426 1.435 0 50 FDAA Cc1noc([C@H]2OCC[C@H]2CNC(=O)c2ccnn2CC(F)(F)F)n1 886085451 QBBQZCWKBSWMLZ-ONGXEEELSA-N 359.308 1.644 0 50 FDAA COc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2N2CC[C@@H](OC)C2)cc1 886079664 QAOQQXVRGVDAQY-OIISXLGYSA-N 354.472 1.615 0 50 FDAA Cn1nc(C2CCCCC2)cc1NC(=O)C(=O)NC[C@]1(CO)CC1(C)C 2325776105 MOUSIFCDYJTCMR-IBGZPJMESA-N 362.474 1.931 0 50 FDAA CC1CCC(CCNC(=O)C(=O)NCc2nc(C(F)(F)F)n[nH]2)CC1 2325779458 GKYKNLJWJONQCC-UHFFFAOYSA-N 361.368 1.772 0 50 FDAA CO[C@H](C)[C@@H](C)NC(=O)c1cc(Br)cc2c1NC(=O)CO2 2325786582 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351.769 1.150 0 50 FDAA CC(C)Cn1nnc2c1C[C@H](c1nc(-c3ccn(C)c(=O)c3)no1)CC2 952893691 JSZBRKSYMAYDEK-CYBMUJFWSA-N 354.414 1.955 0 50 FDAA CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCC(C(=O)N(C)C)CC2)c1 1875253395 HCWXCIPVYIFHAA-UHFFFAOYSA-N 374.441 1.544 0 50 FDAA CC(C)(C)OC(=O)N1CC2(CC(=O)CN2C(=O)c2nnn3ccccc23)C1 1875298029 MIRXISHLLSIXKY-UHFFFAOYSA-N 371.397 1.134 0 50 FDAA O=C(Cc1csc(-c2cnccn2)n1)NCc1ccc2c(c1)CC(=O)N2 1875253587 CAZGRXFTQMURMR-UHFFFAOYSA-N 365.418 1.954 0 50 FDAA O=C1NCC[C@H]1n1cc(Nc2nccn3nc(C(F)(F)F)cc23)cn1 1875307247 LPLMKPRHFJOIRF-SECBINFHSA-N 351.292 1.749 0 50 FDAA Cc1nccc(C(=O)N[C@@H]2[C@@H]3CCCCN(C(=O)C[C@@H]4CCCO4)[C@H]32)n1 1875345606 CYXSIPPHROQMIN-LBTBCDHLSA-N 358.442 1.463 0 50 FDAA C=CC(=O)N[C@H](C)C1CCN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)CC1 1875386633 VXXQHUVVAUMLRY-CXAGYDPISA-N 356.422 1.697 0 50 FDAA CC1(C)C(=O)Nc2ccc(S(=O)(=O)NC(=O)Cc3cccnc3)cc21 1875332684 FCQOIBOFOPGSIM-UHFFFAOYSA-N 359.407 1.359 0 50 FDAA CCc1ccc(CN[C@@H]2CCN(c3nc(C(=O)NC)nc(C)c3C)C2)cn1 1875397002 HAMVVLPYOJJMRX-QGZVFWFLSA-N 368.485 1.779 0 50 FDAA C=CC(=O)N1CC2(CC[C@H](CNC(=O)c3n[nH]c4c(OC)cccc34)O2)C1 1875389680 YHGHWEYIAFHROR-GFCCVEGCSA-N 370.409 1.247 0 50 FDAA Cc1ccc(CN2CC[C@H](NC(=O)Nc3cnc4ccnn4c3)C2=O)cc1 888922958 MTPJXWNVQYDWJW-INIZCTEOSA-N 364.409 1.960 0 50 FDAA Cn1ccc(C2CCN(C(=O)c3cnc4cnn(C)c4c3)CC2)cc1=O 2100483731 KNHMKUPVGCIVMJ-UHFFFAOYSA-N 351.410 1.687 0 50 FDAA Cn1c(Cn2cc(NC(=O)C[C@H]3CSCCN3)cn2)nc2ccccc21 2325747442 RMVPIRZXYJPKSF-ZDUSSCGKSA-N 370.482 1.852 0 50 FDAA CC(C)N1C(=O)CC[C@H]1C(=O)N(C)C1CC(NC(=O)C(C)(C)C2CC2)C1 2325794078 PUACDQVAWQDWND-GPANFISMSA-N 363.502 1.928 0 50 FDAA C[C@H](CF)C(=O)NCc1ccnc(N2CCN(c3ncccn3)CC2)c1 2325867236 PFTMCTFAAZISCT-CQSZACIVSA-N 358.421 1.420 0 50 FDAA Cn1nccc1[C@@H]1CN(C(=O)Nc2ccnn2[C@H]2CCCOC2)CCO1 934665001 KCUPXVMVWZIPSG-ZFWWWQNUSA-N 360.418 1.574 0 50 FDAA O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCc2ccccc2C1 802936 QBITYASZVNBMFI-UHFFFAOYSA-N 356.403 1.416 0 50 FDAA COC(=O)c1ccccc1NC(=O)CNC(=O)c1ccc(OC)c(OC)c1 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COc1cccc(C)c1C(=O)NC[C@H]1CCN(c2cnn(C)c(=O)c2)C1 77522931 YLCHXIIPQKOJBB-CQSZACIVSA-N 356.426 1.354 0 50 FDAA CC(=O)N1CCCc2cc(S(=O)(=O)N[C@@H]3C=C[C@@H](C(=O)O)C3)ccc21 327408323 GMNOVGJWPQQAKR-ZIAGYGMSSA-N 364.423 1.293 0 50 FDAA CC(=O)N(CC(=O)O)[C@H]1CCCN(CCOc2ccccc2F)CC1 328606305 RAHHMZYRUUEHTI-HNNXBMFYSA-N 352.406 1.992 0 50 FDAA COc1cccc(N2CC[C@@H](CNC(=O)c3nc(C)c(C)[nH]c3=O)C2)c1 155400473 HZAHZKAVECZBLH-AWEZNQCLSA-N 356.426 1.652 0 50 FDAA Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H]1CCOC2(CCOCC2)C1 77376105 ZGXLYZZVGPIYTK-HNNXBMFYSA-N 373.457 1.518 0 50 FDAA Cc1cnn([C@H]2CCN(C(=O)NCCN3C(=O)c4ccccc4C3=O)C2)c1 367896773 JUUPPSTXKCIEJV-AWEZNQCLSA-N 367.409 1.444 0 50 FDAA Cc1ccccc1OC[C@H](O)C(=O)NCc1cccc(-c2nnn[nH]2)c1 218804383 OCQSTGVWSMFULF-HNNXBMFYSA-N 353.382 1.231 0 50 FDAA NC(=O)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)cc1 126650761 RMYCHDNTCYYOEN-GOSISDBHSA-N 365.433 1.635 0 50 FDAA CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](CN)C2)cc1 236672539 WPPQLBYLBYZILG-CQSZACIVSA-N 353.488 1.526 0 50 FDAA O=C(CCCn1cncn1)N1CCN([C@H]2CCc3ccccc3C2)CC1 72171460 YJROLFFBWXRIDX-IBGZPJMESA-N 353.470 1.760 0 50 FDAA COc1c[nH]c(C(=O)N2CCC3(CC2)C(=O)N(C)c2ccccc23)cc1=O 72147931 IDNXAPARGQIIDE-UHFFFAOYSA-N 367.405 1.534 0 50 FDAA Cc1cccc2ncc(C(=O)N3CCC(C(=O)N4CCCC4)CC3)c(=O)n12 77287593 ONDJDFHYTOTJPI-UHFFFAOYSA-N 368.437 1.478 0 50 FDAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)CCCS(N)(=O)=O)cc1 77553556 NMLCBHWBENFDEV-QGZVFWFLSA-N 367.515 1.871 0 50 FDAA CCN1Cc2ccccc2C[C@H]1C(=O)N1CCC2(CC1)CC(=O)N(C)C2 77408060 VDJVETFFGWFVHF-SFHVURJKSA-N 355.482 1.904 0 50 FDAA OC[C@]1(c2ccccc2)CCCN(Cc2nnnn2CC2CCOCC2)C1 374540807 YPNBWYZQOAKBIM-FQEVSTJZSA-N 371.485 1.626 0 50 FDAA Cn1c(-c2ccccc2Cl)cn2cc(C(=O)N3CC[C@H](O)C3)nc2c1=O 72428782 UHZGJXADRBUGED-NSHDSACASA-N 372.812 1.560 0 50 FDAA CC(C)(C(=O)NCCc1nc(=O)o[nH]1)c1ccccc1Br 282538343 ZHDYDLBPCZPRAF-UHFFFAOYSA-N 354.204 1.762 0 50 FDAA CN1CCN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)c2cc(F)ccc21 174722842 ZXFOHHDZNSCNHD-UHFFFAOYSA-N 374.416 1.863 0 50 FDAA Cn1ccnc1[C@H](O)C1CCN(Cc2cn(-c3ccccc3)nn2)CC1 72150609 IWCBFFXNXARNBX-GOSISDBHSA-N 352.442 1.946 0 50 FDAA CC(C)n1cc([C@@]2(O)CCCN(C(=O)c3cc(Cl)cn3C)C2)nn1 284829665 KHEBNPKPITZBNN-MRXNPFEDSA-N 351.838 1.975 0 50 FDAA Cc1nc2ncccn2c1C(=O)N1CCC(N2C[C@H](C)O[C@H](C)C2)CC1 72422612 KBEPWFRXOCUNJU-OKILXGFUSA-N 357.458 1.752 0 50 FDAA CCc1cn[nH]c1[C@H]1CCCN(C(=O)Cc2ccc(-n3cnnn3)cc2)C1 77516272 SHLFBNDNTAFKNQ-INIZCTEOSA-N 365.441 1.897 0 50 FDAA CC(=O)N1CCC[C@@](O)(C(=O)N2CCCN(Cc3ccccc3)CC2)C1 284650726 CQLJVZKABNXSDU-FQEVSTJZSA-N 359.470 1.094 0 50 FDAA COC(=O)[C@H]1CCN2C(=O)N(c3cc4c(cc3Cl)OCO4)C(=O)[C@@H]2C1 285896687 HHVZSALBFQOIJK-KWQFWETISA-N 366.757 1.789 0 50 FDAA CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCCSC(C)(C)C)C1 44840483 ZRFKRZGQFWTWPG-GFCCVEGCSA-N 351.538 1.153 0 50 FDAA CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(-c2ccnc(N)n2)cc1 426719819 GWLULNUHCFYFST-QGZVFWFLSA-N 369.469 1.909 0 50 FDAA CN1CCc2[nH]nc(C(=O)N3CCN(c4cccc(Cl)c4)C(=O)C3)c2C1 82106497 UCGBEDIESRJFNV-UHFFFAOYSA-N 373.844 1.540 0 50 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FDAA CC[C@H]1CN(C(=O)c2ccc(Cn3nnnc3C)cc2)CCN1C(C)C 91829230 OHEHJTZESHFCFN-SFHVURJKSA-N 356.474 1.975 0 50 FDAA O=C(c1ccc(CO)cc1)N1C[C@H]2COc3ccccc3C[C@@]2(C(=O)O)C1 95504449 AEESSRPSDUKGKZ-LAUBAEHRSA-N 367.401 1.957 0 50 FDAA Cc1cc(N2CCCN(c3nccc(N4CCC[C@H](O)C4)n3)CC2)ccn1 96162171 UQXYNBKFAWAVIM-SFHVURJKSA-N 368.485 1.858 0 50 FDAA COc1cccc(CN2CCN(c3cc([C@H]4CCOC4)ncn3)CC2=O)c1 426423228 ALEMANOUNKOYPA-INIZCTEOSA-N 368.437 1.838 0 50 FDAA Cc1noc(C)c1CN1C[C@@H]2CC[C@H](C1)N(S(=O)(=O)N1CCCC1)C2 91321015 NNTGYILKYIUHPP-JKSUJKDBSA-N 368.503 1.528 0 50 FDAA COCCNCC(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 237224590 QEWYSBQWMZPXFH-CYBMUJFWSA-N 353.438 1.200 0 50 FDAA Cn1ccnc1CN1CCN(C(=O)c2cccc([C@H]3CCCNC3)c2)CC1 95380268 VZBRXEAPQYLKPU-IBGZPJMESA-N 367.497 1.845 0 50 FDAA OC[C@H]1CN(Cc2ccccc2OC(F)(F)F)C[C@H]1CN1CCOCC1 91460158 DGRSJFAPJZFHEY-HZPDHXFCSA-N 374.403 1.958 0 50 FDAA COCCCN1CCC[C@]2(CCN(C(=O)c3cc(C)[nH]c(=O)c3)C2)C1=O 95382091 BFPBLYWHDDNPIV-LJQANCHMSA-N 361.442 1.175 0 50 FDAA NS(=O)(=O)c1ccc(-n2nc(-c3ccncc3)nc2[C@H]2CCNC2)cc1 96141545 PEGAGCYBILGMJG-ZDUSSCGKSA-N 370.438 1.054 0 50 FDAA CN(CCCc1nccn1C)C(=O)[C@H]1CC(=O)N(Cc2ccncc2)C1 95521335 FRRHYGYYZWIIOV-INIZCTEOSA-N 355.442 1.255 0 50 FDAA CCn1c(Cn2cccn2)nnc1C1CCN(C(=O)c2ccncc2)CC1 91987864 ANNQSXBNNWKLJF-UHFFFAOYSA-N 365.441 1.958 0 50 FDAA CCCn1cc(C(=O)N2CCN(c3cc(C)nc4ncnn34)CC2)c(C)n1 92080950 YQXYHNGHPWKJKF-UHFFFAOYSA-N 368.445 1.310 0 50 FDAA CC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H](O)c1ccccc1)CC2 91872755 SUCMMPLWRKDBHK-KRWDZBQOSA-N 368.437 1.366 0 50 FDAA CCN(C)S(=O)(=O)N[C@H]1CN(CCCC(F)(F)F)C[C@@H]1C1CC1 91604122 MXQYRJMXJHNAFP-OLZOCXBDSA-N 357.442 1.825 0 50 FDAA CC[C@H](C(=O)N(CCO)Cc1nccs1)N1Cc2ccccc2C1=O 97447030 DXOAUTXNHDXUAA-OAHLLOKOSA-N 359.451 1.899 0 50 FDAA OC[C@H]1CN(Cc2c[nH]cn2)CCC12CCN(CCCn1cccn1)CC2 97601059 WWBKNPZGYVDUBE-GOSISDBHSA-N 372.517 1.593 0 50 FDAA O=C(NCCSc1ccccn1)[C@H]1CC(=O)N(Cc2ccccn2)C1 95528273 SPPYGIIIMHNXMR-AWEZNQCLSA-N 356.451 1.734 0 50 FDAA CCn1cc(CNC(=O)C2CCN(C(=O)c3ccncc3)CC2)c(C)n1 243901291 BAYSOTHMZKDKOH-UHFFFAOYSA-N 355.442 1.775 0 50 FDAA CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCN(c2ncnc3nc[nH]c23)C1 245255268 GSHGTAXGZYYHEC-UONOGXRCSA-N 357.462 1.170 0 50 FDAA O=C(CCc1n[nH]c2c1CCCC2)N1CCC(C(=O)N2CCOCC2)CC1 244718844 LRYGFHNNMIEXSA-UHFFFAOYSA-N 374.485 1.319 0 50 FDAA COc1ccc(CC(=O)N[C@@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)cc1OC 244795250 RCKFERUQUCDVKF-FRIZHTMISA-N 359.426 1.608 0 50 FDAA Cc1cc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n2ncnc2n1 298283288 SQYGCBPNYFFJSZ-UHFFFAOYSA-N 354.389 1.924 0 50 FDAA COc1ccc(NC(=O)N2C[C@H]3COC[C@@H]2CN(CC(=O)O)C3)c(C)c1 1940194752 MJGLDLCMWWMYHP-KBPBESRZSA-N 363.414 1.253 0 50 FDAA Cc1nc(CN2CC[C@@H](NC(=O)Cc3ccccc3F)[C@H](O)C2)cs1 299781474 DPSIEHXAAZKYQY-IAGOWNOFSA-N 363.458 1.885 0 50 FDAA Cn1nc2n(c1=O)C[C@@H](C(=O)NCC1(c3cccc(F)c3)CCCC1)CC2 299802151 XNOALWRPGMLVJB-AWEZNQCLSA-N 372.444 1.912 0 50 FDAA CC(C)C[C@H](NC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)c1ncnn1C 299780284 JCOPSRGVNDIALI-ZDUSSCGKSA-N 371.445 1.914 0 50 FDAA CCn1ccc(C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)cc1=O 299786997 YNHHFCGNAHYNMS-OAHLLOKOSA-N 351.410 1.931 0 50 FDAA CC(C)Nc1cc(N2CCn3nc(CNc4cnccn4)cc3C2)ncn1 299802190 XYWJGTHQDQLSMK-UHFFFAOYSA-N 365.445 1.916 0 50 FDAA Cc1nc2cc(-c3cccc(C(=O)N[C@@H]4CCS(=O)(=O)C4)c3)cnc2[nH]1 584897900 DVPRLRSXJPDDNF-OAHLLOKOSA-N 370.434 1.850 0 50 FDAA O=S(=O)(NCCN1CCCC[C@@H]1CO)c1cccc(C(F)(F)F)c1 670453158 ULONEEYKCOAHAU-CYBMUJFWSA-N 366.405 1.831 0 50 FDAA COCCN1C[C@@H](C(=O)Nc2ccc(CC(=O)NC3CC3)cc2)CCC1=O 952966955 XUMVZJLFSLNXBL-HNNXBMFYSA-N 373.453 1.331 0 50 FDAA CCn1cc(S(=O)(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)cn1 952983802 XTSUBURTZRFFDJ-HNNXBMFYSA-N 350.444 1.668 0 50 FDAA Cc1cccc(=O)n1CCC(=O)N1C[C@H](C(C)C)[C@@H](NC(=O)N(C)C)C1 1565515279 RPBFQKKMMFSYRX-CVEARBPZSA-N 362.474 1.301 0 50 FDAA O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1ncccc1O 1565525887 GIJKRABLNHISRD-KGLIPLIRSA-N 352.394 1.559 0 50 FDAA Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC(=O)CCCn1ccnc1 1565514209 HJPYEDRHBPFQKU-IRXDYDNUSA-N 362.430 1.759 0 50 FDAA O=C(N[C@H]1COCC[C@@H]1Oc1ccccn1)c1cnc(C2CC2)nc1O 1565507907 VDKLQOWSGJXUJD-KBPBESRZSA-N 356.382 1.421 0 50 FDAA O=C(Cn1nc2ccccc2n1)N[C@H]1CCOC[C@@H]1Oc1ccccn1 1565528096 DNXXLIUOKRDJDR-HOTGVXAUSA-N 353.382 1.179 0 50 FDAA CN1CCCN(CC(=O)NC[C@H]2CCCN(C3CCSCC3)C2)CC1 952861015 BJXBIPZFPBAGAN-QGZVFWFLSA-N 368.591 1.348 0 50 FDAA C[C@H]1CN(C[C@H](O)c2ccc(F)cc2)CCN1c1nccn2cnnc12 269378806 UQZOJABVXGWQTF-BBRMVZONSA-N 356.405 1.508 0 50 FDAA CS(=O)(=O)CCc1ccc(NC(=O)N[C@@H]2CCc3[nH]ncc3C2)cc1 164519860 UDSREENTGUQZSC-OAHLLOKOSA-N 362.455 1.676 0 50 FDAA O=S(=O)(CCCN1CCOCC1)N[C@H]1CCCc2ccc(F)cc21 280201923 JMYFWROUVGZJTF-KRWDZBQOSA-N 356.463 1.845 0 50 FDAA CC(=O)N1CCc2c(ncn(CC(=O)N(C)[C@H]3CCCC[C@@H]3C)c2=O)C1 275477355 IDEKOUQYCDAPDY-GUYCJALGSA-N 360.458 1.185 0 50 FDAA CC(=O)NC[C@H]1CN(C(=O)c2c[nH]nc2-c2cc3ccccc3o2)CCO1 187093872 SLNAOGKCMVIVKU-AWEZNQCLSA-N 368.393 1.800 0 50 FDAA C[C@@H](NC(=O)N1CCS(=O)(=O)C[C@@H]1c1cnn(C)c1)c1cccs1 189968744 CIJXSXRPAOMOJZ-DGCLKSJQSA-N 368.484 1.724 0 50 FDAA O=C(c1ccccc1)N1CCC(N2C[C@H](Cc3cnccn3)[C@@H](O)C2)CC1 1616070038 XNGFYNLUPXXOHH-PXNSSMCTSA-N 366.465 1.617 0 50 FDAA Cc1nc(C)c(C(=O)N2CCCN(C(=O)[C@@H](O)c3ccccc3)CC2)o1 1529138946 KSVXSFZMGGFAHV-INIZCTEOSA-N 357.410 1.700 0 50 FDAA Cc1cc(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)ccc1Cl 1704339320 QSRNICHLGUELEB-JSGCOSHPSA-N 360.863 1.285 0 50 FDAA CCOC(=O)N1CCN(C(=S)Nc2ccc3nc[nH]c(=O)c3c2)CC1 5488993 YGAICAVIGDXZAX-UHFFFAOYSA-N 361.427 1.394 0 50 FDAA COc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 12374022 LSNKXLPMCRXDBQ-NSHDSACASA-N 355.398 1.230 0 50 FDAA CCCOc1cccc(N2CCn3c2nc2c3c(=O)n(C)c(=O)n2C)c1 12422016 POILTKFWGHUSDP-UHFFFAOYSA-N 355.398 1.374 0 50 FDAA CC[C@@H](C(=O)N1CCOCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714065 JSICNFKTWCNCKL-AWEZNQCLSA-N 360.863 1.743 0 50 FDAA CCc1ccc(C(=O)N2CCN3C(=O)[C@H](CC(C)C)NC(=O)[C@H]3C2)cc1 14541347 HPKOCZIJVFNSMB-DLBZAZTESA-N 357.454 1.447 0 50 FDAA CCN1CCN(C(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)CC1 19527834 ILQBXNJGQIHGOV-UHFFFAOYSA-N 373.906 1.579 0 50 FDAA O=C(CCS(=O)(=O)c1ccccc1)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 223692489 IDDJTHOHAOMNPE-KHYOSLBOSA-N 374.462 1.874 0 50 FDAA CCCc1nnc(N2C[C@H](C(=O)NCC3CCOCC3)CC2=O)s1 1857700746 KYLMROPFQJUAGH-GFCCVEGCSA-N 352.460 1.386 0 50 FDAA O=C(c1cc(-n2cccn2)ccc1Cl)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857711116 IACOAEXHLLZHMA-QAPCUYQASA-N 372.812 1.699 0 50 FDAA O=C(Cc1ccsc1)NC[C@H]1[C@H]2CN(c3ncccn3)C[C@]23CC[C@H]1O3 1857717913 FKGZTTNNPUIMSY-WFXMFSGNSA-N 370.478 1.881 0 50 FDAA O=C(NC1CCN(C(=O)c2ccccc2)CC1)[C@H]1CC[C@H]2OCCN[C@@H]2C1 1857727364 PGJULBDJJPHJTF-QXAKKESOSA-N 371.481 1.565 0 50 FDAA CCOc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2nnc(C)s2)C1 1857729728 FOWSDFBLMFEMGX-CYBMUJFWSA-N 360.439 1.915 0 50 FDAA O=C(Nc1cccc(S(=O)(=O)N2CCC[C@@H](O)C2)c1)c1ccco1 408521007 FLOIEVAITPECIM-CYBMUJFWSA-N 350.396 1.677 0 50 FDAA COCCS(=O)(=O)N1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F 225461668 JACAJPVBUCDSFV-GXFFZTMASA-N 353.362 1.789 0 50 FDAA COc1cccc(N2CCN(C(=O)c3ccc4[nH]c(=O)n(C)c4c3)CC2)c1 133382851 VMQPQHWZVMQTQK-UHFFFAOYSA-N 366.421 1.838 0 50 FDAA C[C@H]1CC(=O)NCCN1Cc1cc2c(cc1Br)OCCO2 372823066 LVTVJCJKBWOZAH-JTQLQIEISA-N 355.232 1.931 0 50 FDAA O=S(=O)(c1cc2c(cc1Cl)OCCO2)N1CCO[C@@H](C2CC2)C1 375332991 RTIHYHRZAVIJCN-CQSZACIVSA-N 359.831 1.911 0 50 FDAA CNC(=O)c1cccc(C(=O)N2CC[C@@H](c3ccccc3)S2(=O)=O)c1 814088252 SJZCKLYJJCJUIQ-INIZCTEOSA-N 358.419 1.963 0 50 FDAA O[C@@]1(Cc2nc(C3CC3)no2)CCCN(Cc2cnc3cnccn23)C1 818186720 BPYHAITWPDQJFO-GOSISDBHSA-N 354.414 1.559 0 50 FDAA CNC(=O)[C@H](CC(C)C)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F 1875277024 XWTOMIPXSIFQET-ABAIWWIYSA-N 359.392 1.641 0 50 FDAA Cc1ccc(N2CCC[C@@H](C(=O)N3CCN[C@H](c4cnn(C)c4)C3)C2)nc1 1875270979 NRRPNFGUBDTWIX-AEFFLSMTSA-N 368.485 1.513 0 50 FDAA Cn1ccn2c(COC(=O)[C@H]3CCc4ccc(F)cc4O3)nnc2c1=O 1875270166 DYOSNXKQPWPTFF-GFCCVEGCSA-N 358.329 1.004 0 50 FDAA C[C@]1(c2ccc(C(=O)N3CC(OC4CCCCC4)C3)cc2)NC(=O)NC1=O 1875329905 JHRKANBCSQXGEF-HXUWFJFHSA-N 371.437 1.915 0 50 FDAA COCCn1nc(C(=O)N(C)CCc2cnc[nH]2)c2c1[C@H](C)O[C@H](C)C2 1875300255 UKLUMFSPPAYFKK-OLZOCXBDSA-N 361.446 1.590 0 50 FDAA CCN1C(=O)C[C@@H](CNCc2cnn3ccccc23)[C@@H]1c1nccn1C 886055025 HBOWJDPGMXHDEV-KBXCAEBGSA-N 352.442 1.767 0 50 FDAA CN(C)Cc1cc(O[C@H]2CCN([C@@H](C(N)=O)c3ccc(F)cc3)C2)ccn1 886068717 KIMBJFNPJPAEMG-RBUKOAKNSA-N 372.444 1.962 0 50 FDAA CC(=O)N1C[C@H](NC(=O)c2ccc3nncn3c2)CC[C@@H]1C(F)(F)F 886035425 WCDRNJHPERDMIA-VXGBXAGGSA-N 355.320 1.401 0 50 FDAA CO[C@@]1(C)CCCN(c2ncnc3c2ncn3C2CC(CO)(CO)C2)C1 888098085 ZDXKPWNTSCEPOQ-KRWDZBQOSA-N 361.446 1.138 0 50 FDAA CC[C@H](OC)C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3[C@H]4Cc5ccccc5[C@@H]43)C[C@@H]2C1 2325794162 SSAWZCHOHQVXRS-ZLKCZHQWSA-N 368.477 1.914 0 50 FDAA Cc1nnc(N2CCN(C(=O)c3ccc4c(c3)CNCCC4)CC2)n1C 2325879476 WSAINGYJUADYBA-UHFFFAOYSA-N 354.458 1.122 0 50 FDAA CC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1 898165 JPZAZXJWFAAMMU-UHFFFAOYSA-N 368.436 1.453 0 50 FDAA COC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 2172644 AHHJUQKRJZLHNK-KRWDZBQOSA-N 370.405 1.813 0 50 FDAA CCC[C@@]1(C(=O)O)CN(Cc2cc3c(cc2OC)OCO3)CC[C@@H]1O 2356135288 XJYDFFORABXRKI-FUHWJXTLSA-N 351.399 1.862 0 50 FDAA C[C@]1(O)CC2(CCN(C(=O)c3cc(Cl)ccc3F)CC2)OC[C@@H]1O 2356153771 UKSPRZKDSRQQFJ-HOCLYGCPSA-N 357.809 1.986 0 50 FDAA O=C(NCCCn1ccnn1)c1cc2c(s1)CCOC21CCNCC1 2356160055 AZISTYVQBUSNNB-UHFFFAOYSA-N 361.471 1.311 0 50 FDAA CS(=O)(=O)c1ccc(CC(=O)N2CCc3nc(C4CC4)nn3CC2)cc1 2356165894 JUVNHKXRYHYVCT-UHFFFAOYSA-N 374.466 1.186 0 50 FDAA CNC(=O)c1cc(S(=O)(=O)N[C@@H](C(=O)O)c2ccccc2)cs1 6681530 KZMYHIOXCDWIQY-GFCCVEGCSA-N 354.409 1.212 0 50 FDAA CCN(CCO)C(=O)C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl 59909660 BAWMUAQHYORQSP-OAHLLOKOSA-N 371.840 1.010 0 50 FDAA COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)NC1CCCC1 55224927 IYCTYMLXRFVTPX-IWHGQQBYSA-N 371.481 1.958 0 50 FDAA Cn1ncc(N2CCN(Cc3cccn3-c3nccs3)CC2)cc1=O 20599923 VTTWCEVBSMFCRA-UHFFFAOYSA-N 356.455 1.350 0 50 FDAA CC(=O)N[C@H]1CCN(C(=O)c2cc(COc3ccc(F)cc3F)on2)C1 67787764 UNFCGNQMZCOITC-LBPRGKRZSA-N 365.336 1.882 0 50 FDAA CC(C)N1CCNC(=O)[C@@H]1CC(=O)N1CCC(OCc2ccccc2)CC1 11840077 QRYJZSQKTFIPRK-IBGZPJMESA-N 373.497 1.793 0 50 FDAA O=C1O[C@@H]2CN(c3nccc4occc34)C[C@@H]2N1CCCN1CCOCC1 67947819 BKWGQQHPGGTYEF-DOTOQJQBSA-N 372.425 1.560 0 50 FDAA CCn1ccnc(N2CCC(NS(=O)(=O)c3ccsc3)CC2)c1=O 329071229 NRSASHVILCNMHA-UHFFFAOYSA-N 368.484 1.272 0 50 FDAA O=C(c1cnccn1)N1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 71764333 FNXFSPMFGVDREM-UHFFFAOYSA-N 364.409 1.430 0 50 FDAA O=C1NC[C@]2(CCCN(C(=O)c3cnc(CN4CCCC4)s3)C2)O1 72147282 BFHAQLRFOYCCFQ-INIZCTEOSA-N 350.444 1.454 0 50 FDAA Cc1ccncc1C(=O)N1CC2(CCN(C(=O)C3CC3)CC2)C[C@H]1C(=O)O 72410737 UHVNESXITDFSCH-INIZCTEOSA-N 371.437 1.708 0 50 FDAA CCc1nnc(CN2CCC[C@]3(CCC(=O)N(CCCOC)C3)C2)o1 72469242 UJWUDFWUDHYHMS-SFHVURJKSA-N 350.463 1.873 0 50 FDAA Cc1cc(S(=O)(=O)NC(=O)[C@@H]2CCc3cn[nH]c3C2)c(F)cc1F 151787333 NHVRQIZBIPTDSE-SECBINFHSA-N 355.366 1.606 0 50 FDAA CN(CCO)C(=O)[C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 71776690 QNKIPWZZAOGPCT-FQEVSTJZSA-N 373.541 1.856 0 50 FDAA Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)[C@@H](C)N(C)CC(F)(F)F 330767784 WYZZHSHGTAHXEE-OLZOCXBDSA-N 362.396 1.819 0 50 FDAA CCc1cc2oc(=O)cc(Cn3nnc4c(cnn4C)c3=O)c2cc1Cl 154378726 SOKFKPBAGPALOS-UHFFFAOYSA-N 371.784 1.896 0 50 FDAA CN(Cc1nc(-c2ccncc2)no1)C(=O)c1cnc2ccccn2c1=O 77437121 IPZUAGPYCOATDV-UHFFFAOYSA-N 362.349 1.412 0 50 FDAA Cc1cc(C)n2nc(C(=O)NCc3c(C)ncc4c3CCNC4)nc2n1 72162805 WMNAITZEAODXRN-UHFFFAOYSA-N 351.414 1.020 0 50 FDAA Cc1cnccc1N1CCN([C@@H]2CCCN(C3CCOCC3)C2=O)CC1 373522298 QVVVZXQYQWTEBM-LJQANCHMSA-N 358.486 1.682 0 50 FDAA O=C1CC[C@@]2(CCCN(C(=O)Cn3ccc4ccccc43)C2)CN1CCO 77459761 HLFVHDGZBMACOR-OAQYLSRUSA-N 369.465 1.865 0 50 FDAA Cc1c(NC(=O)N2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)nnn1C 333414708 QJMUZFVTKOUYLN-PHIMTYICSA-N 351.313 1.458 0 50 FDAA c1cnc(-c2nc(CCNc3ncnc4c3CCNCC4)cs2)nc1 72454765 IULNILWOFHDHAN-UHFFFAOYSA-N 353.455 1.733 0 50 FDAA CCc1ccc2nc(C)cc(C(=O)N3CCNC(=O)[C@H]3CC(=O)NC)c2c1 77320416 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Cn1cc(N2CCN(S(=O)(=O)C[C@@H]3CCCCC3(F)F)CC2)cn1 332339508 VKPZIJUKDVHXKM-ZDUSSCGKSA-N 362.446 1.697 0 50 FDAA Cn1nnc(NS(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)n1 127109798 WWNVLYHBAVEHJL-UHFFFAOYSA-N 352.159 1.016 0 50 FDAA C[C@H](NS(=O)(=O)c1ccc(OCc2ccccc2)cc1)c1nnnn1C 252489541 JSZDRIWGRFYADV-ZDUSSCGKSA-N 373.438 1.829 0 50 FDAA O=C1C[C@@H](Cc2ccc(C(=O)N3CCCC[C@@H]3c3ncon3)cc2)C(=O)N1 266886155 KXKDHEBIYAIFPN-HUUCEWRRSA-N 368.393 1.642 0 50 FDAA O=C(Cc1ccc2c(c1)CCCO2)NCC[C@@]1(O)C(=O)Nc2ccccc21 827849512 XZOMNUDNHQXFSG-NRFANRHFSA-N 366.417 1.900 0 50 FDAA Cc1nccc(N[C@@H]2COCC[C@@H]2NC(=O)c2ccc(N(C)C)nc2)n1 952886650 DBEURYNDQJGETJ-LSDHHAIUSA-N 356.430 1.245 0 50 FDAA Cc1noc([C@@H]2C[C@@H](O)[C@@H](CNC3CCN(c4ccncc4)CC3)C2)n1 952889577 BWXWVSBVBDFHNM-HDMKZQKVSA-N 357.458 1.886 0 50 FDAA CC1(C)Cc2c(cnn2-c2ccncc2)CN(C(=O)Cn2cnnc2O)C1 952893783 WEHJJCADTIWOIV-UHFFFAOYSA-N 367.413 1.176 0 50 FDAA O=S(=O)(c1ccc(Br)cn1)N1CC[C@H]2CCNC[C@H]2C1 1875284076 NULCHZDTAQOXHZ-MNOVXSKESA-N 360.277 1.464 0 50 FDAA CC1=C(C(=O)NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)SCCO1 1875316948 KJMNSGOQQZGTDY-UHFFFAOYSA-N 368.440 1.077 0 50 FDAA COc1ccc(C2CN(C(=O)c3ccnc4nc(C)nn34)C2)cc1OC 1875307878 OBNMIMKJYHDPCK-UHFFFAOYSA-N 353.382 1.690 0 50 FDAA Cc1ccc2nc(COc3cccc(C(=O)NS(C)(=O)=O)c3)cn2c1 1875391297 AXINZPKJNPKGEW-UHFFFAOYSA-N 359.407 1.911 0 50 FDAA Cc1nc(=O)n(C2CCN(C(=O)[C@H]3[C@H]4CC[C@@]3(c3ccnn3C)C4)CC2)[nH]1 1875395992 RWBOGKLEZBQSBB-CRFBAAHOSA-N 370.457 1.145 0 50 FDAA Cc1cc(OCC(=O)N2CCn3c(C)nc(C4CCN(C)CC4)c3C2)no1 1875394238 ADAWXGZPBWLQHX-UHFFFAOYSA-N 373.457 1.718 0 50 FDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](N[C@H](C)c3ccn(C)n3)C2)n1 1875397905 STBZKASMZRNULR-ZIAGYGMSSA-N 357.462 1.116 0 50 FDAA O=C(c1ccc2oc(O)nc2n1)N1C[C@H]2CC[C@H]1CN2C[C@@H]1CCOC1 1875406766 LLKIECKZTIPRQY-XQQFMLRXSA-N 358.398 1.254 0 50 FDAA Cn1nccc1-c1ccc(C(=O)N[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)cc1 1875401494 ZYUZFJJQHFAVGX-POZUXBRTSA-N 365.437 1.853 0 50 FDAA O=C(c1ccc2oc(O)nc2n1)N1C[C@H]2CC[C@H]1CN2C[C@H]1CCOC1 1875406765 LLKIECKZTIPRQY-UPJWGTAASA-N 358.398 1.254 0 50 FDAA COc1ccccc1-c1ncc(CNC(=O)[C@@H]2CN(C)CC[C@H]2O)s1 2100483655 GVYGFODLUQOCQP-HUUCEWRRSA-N 361.467 1.748 0 50 FDAA Cc1cc(C)nc(-n2[nH]c(C(=O)N[C@H](C)c3c(C)nn(C)c3C)cc2=O)n1 2325736531 UPLHZVSGTIOPAZ-LLVKDONJSA-N 369.429 1.414 0 50 FDAA COC1CC(CNC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)C1 2325767923 QCJXPNLOUMHLBB-BLZCZZARSA-N 372.421 1.616 0 50 FDAA CN=c1nc(N2CCn3c(Cc4cccc(F)c4)nnc3C2)cc(C)[nH]1 2325775472 RGHFPOVOZUUWHJ-UHFFFAOYSA-N 353.405 1.590 0 50 FDAA O=C(N=c1ccn(Cc2ccncc2)[nH]1)c1ncoc1[C@H]1[C@H]2CN[C@H]1C2 2325775943 KUWHQWHEBLAJBO-IPYPFGDCSA-N 350.382 1.064 0 50 FDAA Cc1ccc(N2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC2)cc1 876477 PZHBVFYHTPRXAU-UHFFFAOYSA-N 363.417 1.940 0 50 FDAA COc1ccccc1CCC(=O)N1CCC2(CC1)OCC[C@@](C)(O)[C@@H]2O 2356159995 YKSYZLYPIYZCOC-RBUKOAKNSA-N 363.454 1.521 0 50 FDAA Cn1ncc2ncc(C(=O)N[C@@H](c3ccccc3)c3n[nH]c(=N)s3)cc21 2356165803 OYYUIQPCOMMXHK-AWEZNQCLSA-N 365.422 1.752 0 50 FDAA O=S1(=O)CC[C@H](CS(=O)(=O)Oc2cccc(C(F)(F)F)c2)C1 225391276 YLYNMSVULZFYPZ-VIFPVBQESA-N 358.359 1.849 0 50 FDAA Cc1cc(C)n(CC2CCN([C@@H]3CCN(c4cnn(C)c4)C3=O)CC2)n1 111229269 ILCWHOOITZIBAO-GOSISDBHSA-N 356.474 1.751 0 50 FDAA CCOC(=O)C1=NN[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12 100166233 QKFBRBJMKDZPKR-VHSXEESVSA-N 356.165 1.374 0 50 FDAA CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccc2c(c1)c1ccccc1n2C 67643144 IYVKGGOUXQAIAW-UGSOOPFHSA-N 350.422 1.619 0 50 FDAA O=C1NCC(=O)N2C[C@H](NC(=O)C3(c4ccccc4)CCCCC3)C[C@@H]12 65397061 KLVUSTZYLIKOOG-CVEARBPZSA-N 355.438 1.104 0 50 FDAA O=C(NC1CC1)c1cc2n(n1)CCN(C(=O)[C@@H](O)c1ccc(Cl)cc1)C2 65461346 OLHJGNSWOCJAKW-INIZCTEOSA-N 374.828 1.505 0 50 FDAA CN1CCN([C@H]2CN(Cc3c[nH]nc3-c3cccc(F)c3)C[C@@H]2O)CC1 67871469 HDJQSJKJESNGTM-ROUUACIJSA-N 359.449 1.008 0 50 FDAA CCN1CCN(C[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)CC1 67834441 MTCQAVKWWPJFKJ-NRFANRHFSA-N 359.514 1.610 0 50 FDAA CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccccc3Cl)[C@@H]2SC1 2786023 KAQSYOBVGLVJFK-YGRLFVJLSA-N 352.799 1.712 0 50 FDAA C[C@H](Cn1cncn1)Nc1nc(-c2ccco2)nc2c1CCN(C)CC2 72477535 MTCBQWAKVBQAHE-CYBMUJFWSA-N 353.430 1.859 0 50 FDAA Cn1cc(N2CCN(C(=O)c3ccc4c(c3)N=C(O)C4(C)C)CC2=O)cn1 328871884 DQCACSCSDINOHX-UHFFFAOYSA-N 367.409 1.788 0 50 FDAA COCCNS(=O)(=O)c1cc(C(=O)O)cc(-c2cccc(CN)c2)c1 71775770 GHBLCTVMSYMRME-UHFFFAOYSA-N 364.423 1.435 0 50 FDAA COc1ccc(NC(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)cc1OC 363594932 IKNOYSXTDRVKCK-LLVKDONJSA-N 361.398 1.895 0 50 FDAA Cc1ccc(OC2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)CC2)cc1 77458940 KGFSFVOAENNJQY-UHFFFAOYSA-N 357.410 1.293 0 50 FDAA Cc1ccccc1CN1C[C@H]2CN(C(=O)c3nccn3C)C[C@@]2(C(=O)O)C1 217209453 RMTMLAYHPNXVPC-JXFKEZNVSA-N 368.437 1.387 0 50 FDAA CNc1ncc(C(=O)N2CCC[C@]3(CCC(=O)N(CCOC)C3)C2)cn1 77286424 ZLZGYAOIMSTDKV-GOSISDBHSA-N 361.446 1.010 0 50 FDAA CCc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cnc(N(C)C)nc1 443453308 KOXLKJKWNCPPGB-UHFFFAOYSA-N 350.400 1.604 0 50 FDAA Cc1c(C(=O)NC[C@H]2CN(C3CC3)CCO2)cnn1Cc1ccccc1 127190161 YILFFIQGAGAACX-SFHVURJKSA-N 354.454 1.833 0 50 FDAA CN(Cc1ncc[nH]1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CC(C)(C)C)C(=O)[C@H]13)O2 77406802 QCJPUFJXIPAFON-XPVILTJLSA-N 358.442 1.196 0 50 FDAA CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCNC[C@H]2C(F)F)c1 367286194 JKLHDOPZMXJQEQ-LBPRGKRZSA-N 366.817 1.813 0 50 FDAA CN1CC2(CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)C[C@@H]1C(=O)O 72168950 BVNFMKBDJPGGDI-MRXNPFEDSA-N 366.483 1.461 0 50 FDAA Cc1nc2c(c(NCCc3noc(C)n3)n1)CCN(C(=O)N(C)C)CC2 72435314 OZVKZCWDKCZLGZ-UHFFFAOYSA-N 359.434 1.213 0 50 FDAA Cn1nccc1N1CCC[C@H](NC(=O)c2nc(=O)c3ccccc3[nH]2)C1 377078382 OQZGSFTUIFQZAY-LBPRGKRZSA-N 352.398 1.055 0 50 FDAA Cc1nc(CCNC(=O)[C@H](c2ccccc2)n2cnnn2)nc2c1CCC2 219463745 IJJPGBZPCHBMTO-SFHVURJKSA-N 363.425 1.209 0 50 FDAA CNCCN1C(=O)CC[C@H]2CN(C(=O)c3cnc4c(c3)CCCC4)CC[C@H]21 72480192 MDROXRNEEFPNJB-QFBILLFUSA-N 370.497 1.633 0 50 FDAA Cc1cccnc1CN1CCN(C(=O)[C@H]2CSC(C)(C)C(=O)N2)CC1 77471995 DMONPFNMGUAPTR-OAHLLOKOSA-N 362.499 1.044 0 50 FDAA O=C(c1cnc[nH]c1=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 72433886 LUUFIAYBYDMTPX-RCCFBDPRSA-N 366.421 1.178 0 50 FDAA Nc1nnc(SCC(=O)NC[C@H]2CCN(c3ccccc3F)C2)s1 222242785 XCEHGLGOJCVFQG-SNVBAGLBSA-N 367.475 1.994 0 50 FDAA O=C1CC[C@]2(CCCN(c3nccnc3N3CCCC3)C2)CN1CCO 82146056 BEFXWSBHAGDMBP-LJQANCHMSA-N 359.474 1.278 0 50 FDAA COC(=O)c1cc(OC)cc(C(=O)N2CCN(CC(C)C)C(=O)[C@@H]2C)c1 82114971 DYYKUWURPWAMQC-ZDUSSCGKSA-N 362.426 1.811 0 50 FDAA CNS(=O)(=O)CCNC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 287056925 JNXWAARJGRDFAL-BZUAXINKSA-N 351.472 1.513 0 50 FDAA COc1cccc(-c2ccc(C(=O)NC3CCN(CC(N)=O)CC3)cc2)n1 426673998 GXTGWWHUZVSCHX-UHFFFAOYSA-N 368.437 1.437 0 50 FDAA CC(=O)N[C@H](CC(=O)N1CCCC[C@H]1C(=O)O)c1c(F)cccc1F 136523305 KCMVTMVTIDYXRQ-KGLIPLIRSA-N 354.353 1.998 0 50 FDAA Cc1nn(C)c(C)c1CCC(=O)NC[C@@H]1CN(c2ccccc2)CCO1 82121720 KDZJIBPQEDIGKR-GOSISDBHSA-N 356.470 1.991 0 50 FDAA COC(C)(C)CS(=O)(=O)NCc1ccncc1OC[C@@H]1CCOC1 289929692 REAHBNLBQJVHKU-CYBMUJFWSA-N 358.460 1.341 0 50 FDAA Cc1ccn(CC(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(=O)O)cc2)n1 223707898 VFQBKEKUWGXGGM-HZPDHXFCSA-N 359.382 1.242 0 50 FDAA Cc1nc(N(C)C)ncc1C(=O)N(Cc1cccnc1)C[C@@H]1CCC(=O)N1 97822960 DSJKBCITRHKITA-HNNXBMFYSA-N 368.441 1.167 0 50 FDAA Cc1cc(=O)[nH]c(NCCNC(=O)c2cc(-c3ccc(C)s3)n[nH]2)n1 91551194 IOYMNBBQRNEKKA-UHFFFAOYSA-N 358.427 1.680 0 50 FDAA COCCN1CCC[C@@]2(CCN(C(=O)CN3CCCCCC3)C2)C1=O 91426716 BNPXXNQXWQJQIM-IBGZPJMESA-N 351.491 1.350 0 50 FDAA Cc1nn(CC(=O)N2Cc3nnc(C)n3[C@H](C)C2)c(=O)c2ccccc12 96147941 WWMBRZKTFREEMN-LLVKDONJSA-N 352.398 1.208 0 50 FDAA Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCc1c(C)noc1C 426738980 DFMIEFHLCVHABO-SFHVURJKSA-N 370.453 1.607 0 50 FDAA Cc1nc(CN2CCN(C(=O)c3ccc(-c4cncnc4)cc3)CC2)no1 426504128 XCASSBSZFDFYND-UHFFFAOYSA-N 364.409 1.793 0 50 FDAA Cc1ccc(C(=O)N2CCC(N3CCOCC3)CC2)cc1N1CCNC1=O 91434605 ZWWZRZGJLGRWED-UHFFFAOYSA-N 372.469 1.461 0 50 FDAA CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)Cc2ccc(CO)cc2)C1 95507486 DYIUBPYUOVPAOT-LJQANCHMSA-N 370.497 1.886 0 50 FDAA CN1CC23CN(C)CC2(C1)CN(C(=O)[C@H](c1cccc(F)c1)N(C)C)C3 91468834 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373.486 1.508 0 50 FDAA CN1CCC(N2CCN(Cc3cccc4nonc34)C[C@@H]2CCO)CC1 20782008 ZRGHQSSSVFUGCU-KRWDZBQOSA-N 359.474 1.186 0 50 FDAA CCCN(C)C[C@]1(O)CCCN(Cc2cccc(OC)c2OC)C1=O 67920589 OIVBGYDHVBZYSQ-LJQANCHMSA-N 350.459 1.899 0 50 FDAA O=C(c1nnc2n1CCCC2)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 65385135 JFGOZJIQSCYQLR-UONOGXRCSA-N 370.409 1.334 0 50 FDAA CN1CCNC(=O)C12CCN(C(=O)c1ccc(-c3ccccc3)[nH]1)CC2 67840742 JSRCAIFJHAJKGG-UHFFFAOYSA-N 352.438 1.718 0 50 FDAA CN1C(=O)[C@](CC(=O)N2CC(O)C2)(Cc2ccccc2)c2ccccc21 71524373 UCFHUVPYWQSJDA-NRFANRHFSA-N 350.418 1.737 0 50 FDAA Cc1ccn(-c2ccc(NCCNC(=O)c3ccc4c(c3)OCO4)nn2)n1 72436992 XMIOIAJRFWBPHH-UHFFFAOYSA-N 366.381 1.541 0 50 FDAA O=C(O)C[C@H](c1cccc(C(F)(F)F)c1)N1CCS(=O)(=O)CC1 4085642 OTFMGZXEKITZRM-GFCCVEGCSA-N 351.346 1.952 0 50 FDAA Fc1ccc(OCCCN2CCN(Cc3cc4n(n3)CCNC4)CC2)cc1 72141675 BFGWWTWHLNOUAN-UHFFFAOYSA-N 373.476 1.712 0 50 FDAA O=C(CN1CCOC1=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 72436742 PTUNOLPPYPZCTN-UHFFFAOYSA-N 372.343 1.968 0 50 FDAA 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350.426 1.955 0 50 FDAA CCN(CC)C(=O)Cn1cc(C(=O)N[C@H](c2ccco2)C(F)(F)F)nn1 12456050 WGQONMJDSWVHLI-CYBMUJFWSA-N 373.335 1.773 0 50 FDAA O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)NC1CCCCC1 19928578 AOTSOHMRVKJVRR-UHFFFAOYSA-N 359.470 1.982 0 50 FDAA O=C(CC[C@H]1NC(=O)N(Cc2ccco2)C1=O)NCCc1ccccn1 206244775 NJXAMDBHRVTLIA-OAHLLOKOSA-N 356.382 1.234 0 50 FDAA O=C1C[C@@H](C(=O)N2CCC(C3CCNCC3)CC2)CN1Cc1cccnc1 1857676299 QKSYOBVHWAQJBF-LJQANCHMSA-N 370.497 1.668 0 50 FDAA COCCN1CCOC2(CCN(c3ccc(C(C)C)nn3)CC2)CC1=O 1857688596 RVTCOEKEZIXOKG-UHFFFAOYSA-N 362.474 1.834 0 50 FDAA CCC(=O)NCC(=O)N1CCC[C@]2(C1)CN(c1ccnc(C)c1)CC[C@H]2O 1857694352 MJVWNUSQFFMWGP-YLJYHZDGSA-N 374.485 1.096 0 50 FDAA CCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3ccc(OC)nc3)[C@H]3CC[C@]2(C1)O3 1857712372 WXTYGRZSQIRJRW-NRTGNBEESA-N 359.426 1.236 0 50 FDAA Cc1nc2c(c(=O)n1C)CCN(C(=O)c1ccc3sc(=N)[nH]c3c1)CC2 1857715495 UVZTXNFPYIRNDB-UHFFFAOYSA-N 369.450 1.352 0 50 FDAA Cc1ccc2[nH]c(C(=O)N[C@H]3C[C@H]4CO[C@@H](CCO)CN4C3)c(C)c2c1 1857719494 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370.497 1.946 0 50 FDAA COc1ccc2c(c1)OC[C@H](C(=O)NCc1nnc3n1CCCCC3)C2 64487368 FMXMMDIZUUGESY-CQSZACIVSA-N 356.426 1.881 0 50 FDAA C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO 4096745 ACSFOIGNUQUIGE-AIPUTVCKSA-N 364.482 1.862 0 50 FDAA endogenous,in-man CS(=O)(=O)N1CCC[C@@H](C(=O)NCc2nc(-c3cccs3)no2)C1 65362458 DRLQHOHTEKRULK-SNVBAGLBSA-N 370.456 1.086 0 50 FDAA O=C(NC1CCN(C[C@H]2CCOC2)CC1)c1cnc(-c2ncccn2)s1 136815926 ZTOASBZDSMSOEK-CYBMUJFWSA-N 373.482 1.831 0 50 FDAA CCCc1nc(C(=O)NC[C@@H]2CCN(c3cnn(C)c(=O)c3)C2)cs1 23581497 OVTNVHUUSWZDJZ-LBPRGKRZSA-N 361.471 1.446 0 50 FDAA CCc1ccccc1OC1CN(C(=O)Cn2ncc(N(C)C)cc2=O)C1 20777118 HVULKZBXJCMBPJ-UHFFFAOYSA-N 356.426 1.162 0 50 FDAA COc1cccc(N([C@@H](C)C(=O)NCc2ccccn2)S(C)(=O)=O)c1 65363115 MMCNTKOIRYKUCQ-ZDUSSCGKSA-N 363.439 1.561 0 50 FDAA COCCC1(C(=O)N2CCC[C@H](N(C3CCC3)S(C)(=O)=O)CC2)CC1 328635021 NBQWKVOJSWZIGM-INIZCTEOSA-N 372.531 1.998 0 50 FDAA Cc1cc(=O)[nH]c(S[C@H](C)C(=O)NCc2cc(-c3ccccn3)no2)n1 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NCCOc1cccc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)c1 426503764 YXVMHFKKSDSYRV-IBGZPJMESA-N 363.421 1.930 0 50 FDAA COc1ccccc1-n1cc(C(=O)NCCn2c(C)cc(C)nc2=O)cn1 92066048 RWJICVGCNLBANC-UHFFFAOYSA-N 367.409 1.484 0 50 FDAA O=C1N(CC2CC2)CCC[C@@]12CCN(c1nnnn1-c1ccccc1)C2 92045867 DFISFQYSCZOAEZ-IBGZPJMESA-N 352.442 1.891 0 50 FDAA COCCc1noc([C@@H]2CCCN(c3nc(N)nc4c3CCCC4)C2)n1 95359104 FAUSASWPRGSCMF-GFCCVEGCSA-N 358.446 1.894 0 50 FDAA O=C(CN1CCc2ccccc2C1)N[C@H]1CCCN(c2ncccn2)C1 230545988 OHBCYKRKQWEBMJ-SFHVURJKSA-N 351.454 1.620 0 50 FDAA COCCN(C)CC(=O)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1 92096721 IGPZBASBQWBBBE-LJQANCHMSA-N 351.491 1.206 0 50 FDAA Cn1cc(CCN2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)cn1 92002046 CMZOHOXUXJHDEE-SFHVURJKSA-N 360.502 1.846 0 50 FDAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1ccc2c(=O)n(C)cnc2c1 91849044 NHWYFVYNWBGWGN-INIZCTEOSA-N 356.426 1.407 0 50 FDAA CN(c1ccccc1)S(=O)(=O)CCCCS(=O)(=O)NCC1CC1 294749899 PZSWGMVIWRRWQV-UHFFFAOYSA-N 360.501 1.562 0 50 FDAA 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1.686 0 50 FDAA Cc1cccc(C(=O)N2CCCN(c3nnnn3-c3ccccc3)CC2)n1 1772809887 GNCJCWMVVHHMKU-UHFFFAOYSA-N 363.425 1.718 0 50 FDAA Cc1cc(N2CC(=O)N[C@@H](Cc3ccccc3)C2)nc(N2CCCC2)n1 1772706924 VHSFMMLILNEFDL-KRWDZBQOSA-N 351.454 1.933 0 50 FDAA CCOC(=O)N1CC[C@@H](N2CCCN(C(=O)C3CCOCC3)CC2)C1 1775983303 JXJHLVBOZYNCOU-MRXNPFEDSA-N 353.463 1.178 0 50 FDAA Cn1nc(C(N)=O)c2c1CCN(C(=O)c1c(Cl)ccc3ncccc13)C2 1775981358 RCQDRPLVUBIABX-UHFFFAOYSA-N 369.812 1.919 0 50 FDAA CC[C@@H](O)CNC(=O)c1sc2ncnc(NCCN(C)C)c2c1C 12450134 XSFNCHCMCMBVEG-LLVKDONJSA-N 351.476 1.474 0 50 FDAA O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)CNCc1ccon1 15070943 JOXRKGLRSZZVMP-QGZVFWFLSA-N 351.353 1.596 0 50 FDAA Cc1cccc2[nH]c(CN(C)C(=O)Cn3nnnc3CN(C)C(C)C)nc12 15076148 GDLTZGBYYPJIOC-UHFFFAOYSA-N 370.461 1.357 0 50 FDAA CN(Cc1cnc(S(C)(=O)=O)n1Cc1ccccc1F)[C@H]1CCOC1 19883412 QSPRCHHYHMUYTC-AWEZNQCLSA-N 367.446 1.695 0 50 FDAA O=C(N1CC[C@H](O)[C@@]2(CCCNC2=O)C1)C1(c2ccc(Cl)cc2)CC1 1857685548 MPBLHSZYOQJFKM-HNAYVOBHSA-N 362.857 1.861 0 50 FDAA 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368.393 1.318 0 50 FDAA C[C@H]1[C@H](CNC(=O)Nc2cccc(C(=O)N3CCCC3)c2)N(C)CCN1C 1875265753 IRYKGAUKWCVNHM-YJBOKZPZSA-N 373.501 1.678 0 50 FDAA C=CC(=O)N1CCC(C(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)CC1 1875365747 VBKJTKQYHNBVEF-QGZVFWFLSA-N 373.428 1.814 0 50 FDAA C=CC(=O)N1C[C@H](NC(=O)c2ccc(Cn3ccnn3)o2)CC(C)(C)C1 1875388083 MFNUARHRFYAJPA-CYBMUJFWSA-N 357.414 1.462 0 50 FDAA Cc1nc([C@@H](C)NS(=O)(=O)c2cn(C)nc2C2CCOCC2)no1 1875345741 HPWHOCOKYYTSAH-SECBINFHSA-N 355.420 1.045 0 50 FDAA C[C@H]1CN(C(=O)C(C)(C)F)CCN1C(=O)c1cnc2c(c1)OCCN2 1875344385 IXTVKEMUGDWHOQ-NSHDSACASA-N 350.394 1.307 0 50 FDAA CC(C)c1nc(C(=O)NC[C@H]2[C@@H]3CN(c4ccnc(CO)n4)C[C@H]23)co1 1875332084 LLJSNDVQTQDLGU-XYYAHUGASA-N 357.414 1.193 0 50 FDAA CCc1ncoc1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)Cc1c(C)n[nH]c1C 1875406377 CBCGXURBBRCVAH-STQMWFEESA-N 357.414 1.245 0 50 FDAA Cn1ccc(-n2cnc(C(=O)N3CC[C@H](C(C)(C)C)C[C@@H]3C(=O)O)c2)n1 1875404722 RMVMQWAKPQSRFL-GXTWGEPZSA-N 359.430 1.957 0 50 FDAA 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CS(=O)(=O)N1CCC(NC(=O)c2ccc([C@H]3CCCO3)s2)CC1 91365264 CGJFIVIEZCVENG-GFCCVEGCSA-N 358.485 1.753 0 50 FDAA COc1ccccc1[C@@H]1CN(C(=O)c2cc(C)c(C)[nH]c2=O)C[C@H]1C(=O)O 91663789 VKBBBBARBKMRLC-JKSUJKDBSA-N 370.405 1.941 0 50 FDAA COc1cc(CN2CCC3(CCC(=O)N(CCO)C3)CC2)cc(OC)c1 91943468 JBMRKEGUPCJLBL-UHFFFAOYSA-N 362.470 1.901 0 50 FDAA Cn1ccnc1SCCNC(=O)[C@H]1CC(=O)N(Cc2cccnc2)C1 95384378 GBVQDMIEGNCHFD-AWEZNQCLSA-N 359.455 1.072 0 50 FDAA Cc1ccc2oc(=O)n(CC(=O)N[C@H]3CC[C@H](n4cnnc4)CC3)c2c1 244594088 DGFPSWJNMVZBBK-HDJSIYSDSA-N 355.398 1.795 0 50 FDAA O=C(N[C@@H]1CCN(C(=O)CN2CCCCCCC2)C[C@H]1O)c1ccccc1 244633530 GENPTMVKHKQCKC-RTBURBONSA-N 373.497 1.644 0 50 FDAA Cc1c(C(=O)N[C@H](c2cccs2)[C@H]2C[C@@H](O)C2)cnc2cc(=O)[nH]n12 244678534 IFLHXJDCAPLXNF-USBNGQNGSA-N 358.423 1.635 0 50 FDAA Cc1ccc(C(=O)NCCC(=O)N2CCN(c3cccnc3)CC2)cc1 244678402 ICBRRWOKYUOILB-UHFFFAOYSA-N 352.438 1.859 0 50 FDAA C[C@@H]1CC[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@]12CC[C@@](CO)(CC(=O)O)O2 242688212 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O=C1c2ccccc2C(=O)N1CCCn1ncc(N2CCCC2)cc1=O 19111135 LZYUNGRTQDZLPU-UHFFFAOYSA-N 352.394 1.530 0 50 FDAA O=C(N[C@H]1C[C@@H](c2cc(N3CC[C@H](O)C3)ncn2)C1)c1ccc(Cl)o1 220505931 DHVMOOLWGZGNKU-SRVKXCTJSA-N 362.817 1.970 0 50 FDAA CCn1c(O)nnc1[C@H]1[C@@H](C2CC2)CCN1c1ncc2c(n1)CCOC2 1857532712 KVFQIZYIYQQDHN-UKRRQHHQSA-N 356.430 1.844 0 50 FDAA CNC(=O)Cc1nc([C@@]2(c3ccccc3F)CC2(C)C)n(CCCO)n1 1857666444 OSPGRRTVWQTHGI-IBGZPJMESA-N 360.433 1.804 0 50 FDAA O=C1NCCc2ccc(S(=O)(=O)N3CCOc4cc(F)ccc43)cc21 118302688 SFRNBFUALIWNOT-UHFFFAOYSA-N 362.382 1.699 0 50 FDAA CCn1ccnc(N2CCC(NCc3cccc4c3OCO4)CC2)c1=O 328624230 CHIMYYJXLHLDIB-UHFFFAOYSA-N 356.426 1.751 0 50 FDAA CCn1cc(Cl)c(C(=O)NC2CCN(c3nc(C)cc(O)n3)CC2)n1 253537702 MGFHASSARYVUFO-UHFFFAOYSA-N 364.837 1.759 0 50 FDAA O=C(O)[C@@H]1COCCN1C(=O)Cc1csc(-c2cccc(F)c2)n1 262528638 OIMJMKIFQOKDKL-ZDUSSCGKSA-N 350.371 1.804 0 50 FDAA COc1ccc([C@H](NC(=O)C2=NN(C)C(=O)CC2)C(=O)O)cc1Cl 262978026 JGJFHOYVPOTWRL-ZDUSSCGKSA-N 353.762 1.199 0 50 FDAA O=C1COc2ccc(C(=O)OCc3ncnn3-c3ccccc3)cc2N1 801201693 UCLFYOFWRUEZJM-UHFFFAOYSA-N 350.334 1.955 0 50 FDAA Cc1onc(CC(=O)N2CCC(c3ccccn3)CC2)c1-c1nn[nH]n1 826344010 UYYOCOWELWULIR-UHFFFAOYSA-N 353.386 1.507 0 50 FDAA O=C([C@H]1CC[C@@H]1C(=O)N1CCCC2(COC2)C1)N1CCCC2(COC2)C1 1875278703 WTPWXFSHYSKQBJ-HOTGVXAUSA-N 362.470 1.291 0 50 FDAA Cn1ncc(C(=O)N[C@H](CO)Cc2nccs2)c1Cc1ccccc1 1875319479 DVRRVWNPINRILN-AWEZNQCLSA-N 356.451 1.801 0 50 FDAA COc1cnc2nc[nH]c(=NC[C@H](c3cn(C)cn3)N3CCCC3)c2c1 1875305505 UIKLLQNQSJBOAY-MRXNPFEDSA-N 353.430 1.438 0 50 FDAA Cn1ncc(C(=O)N[C@@H](CO)Cc2nccs2)c1Cc1ccccc1 1875319480 DVRRVWNPINRILN-CQSZACIVSA-N 356.451 1.801 0 50 FDAA Cc1cc(CN2CCN(C(=O)c3n[nH]c4c3C[C@@H](C)O[C@H]4C)CC2)no1 1875392527 HAVCCGJHPFGXMX-YPMHNXCESA-N 359.430 1.686 0 50 FDAA CCn1cnc(CN[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)c1 1875397449 AREVPHSLPYBGRT-OAHLLOKOSA-N 371.489 1.380 0 50 FDAA COc1ccccc1OCC(=O)N1CC[C@H](C2CC2)[C@H]1c1nnc(O)n1C 1875400948 DJAKRJBTCRRLMG-DYVFJYSZSA-N 372.425 1.908 0 50 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2325870570 FEVUMERLQAAFAF-ZDUSSCGKSA-N 351.366 1.840 0 50 FDAA C=CC(=O)N1CCC(C(=O)NCc2sncc2Br)CC1 2325886096 NQPODLVZOLAFBD-UHFFFAOYSA-N 358.261 1.946 0 50 FDAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC(c3nc(=N)n(C)[nH]3)CC2)cc1 2325889998 OZOTVYGMKXYOEQ-UHFFFAOYSA-N 368.441 1.396 0 50 FDAA Cc1ccn(CCN2CC[C@@H](O)[C@](Cc3cccc(F)c3)(C(=O)O)C2)n1 2356146320 ATLQMBFRVRWYBS-IEBWSBKVSA-N 361.417 1.711 0 50 FDAA CCN(CC)CCNC(=O)c1ccc(C(=O)NCCN(CC)CC)cc1 4428705 VENNXSKJXPFJCB-UHFFFAOYSA-N 362.518 1.830 0 50 FDAA CN1CCN(C)C2(CCN(C(=O)Cc3n[nH]c(-c4ccccc4)n3)CC2)C1 67982904 JWRDSLBOTHIAKF-UHFFFAOYSA-N 368.485 1.253 0 50 FDAA CCOc1ccc(CN2CCN(Cc3cnn(C)c3)C[C@H]2CCO)cc1 104354443 RHFCTIGOXKGRPG-LJQANCHMSA-N 358.486 1.888 0 50 FDAA CN(C)CCNC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 20483341 MYEZJTWOUFSYBT-UHFFFAOYSA-N 353.488 1.294 0 50 FDAA CC1=NO[C@H](C(=O)N2CCC(c3nn(C)c(=O)n3-c3ccccc3)CC2)C1 67690771 HWXVNOKQQKBGDT-INIZCTEOSA-N 369.425 1.442 0 50 FDAA O=C(NC1CC1)c1cc2n(n1)CCN(C(=O)c1scc3c1OCCO3)C2 65430702 WCCKNLCJXAQXBG-UHFFFAOYSA-N 374.422 1.264 0 50 FDAA CCCCSCc1cc(C(=O)N2C[C@H](N)C[C@H]2C(=O)NC)oc1C 77377828 HFXMRZAVLUYFIH-KGLIPLIRSA-N 353.488 1.909 0 50 FDAA CC(C)c1nc(NCc2ccc(S(N)(=O)=O)cc2)c2cnn(C)c2n1 72152840 HKAHBSQXSILZAR-UHFFFAOYSA-N 360.443 1.746 0 50 FDAA Cc1ccc(O)c(C(=O)N2CCc3c(ncnc3N3CCOCC3)C2)c1 71762241 ZRMJKZKUUMROPC-UHFFFAOYSA-N 354.410 1.526 0 50 FDAA Cc1nn(C)c2ncc(S(=O)(=O)N(CCO)c3cccc(F)c3)cc12 122407781 IDQBUXCSEVFHAW-UHFFFAOYSA-N 364.402 1.603 0 50 FDAA Cc1ccc(NC(=O)N2CCOC[C@@H]2CO)c(OC[C@@H]2CCCO2)c1 253425738 WBIJLFTWCLYGKW-GJZGRUSLSA-N 350.415 1.778 0 50 FDAA C[C@@H](C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)S(C)(=O)=O 330696561 JTOQNCHJOZYILH-NWDGAFQWSA-N 360.426 1.479 0 50 FDAA O=C([C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2)N1CCN(Cc2ccon2)CC1 375556993 JXBRPKVICNIFBN-AAVRWANBSA-N 359.348 1.675 0 50 FDAA COc1ccc(C(=O)N2CCN[C@@H](c3ccncc3)C2)cc1OCCO 375905396 XMGMIPSQQKZTKJ-MRXNPFEDSA-N 357.410 1.248 0 50 FDAA O=C1CSCN1CC(=O)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 375996100 XDHYWGLUZGUHLZ-AWEZNQCLSA-N 359.451 1.471 0 50 FDAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2cc[nH]n2)[C@H]3C1=O 77504907 GGENYCVHNPDBJX-BOSXTWCSSA-N 372.469 1.586 0 50 FDAA CCn1cc(S(=O)(=O)N2CCC(n3ncc4c3CNC4)CC2)nc1C 333362359 DAZGDRAJBJLQRA-UHFFFAOYSA-N 364.475 1.037 0 50 FDAA C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CCN1 262832294 IAENNSKCXSZBOR-VHDGCEQUSA-N 359.426 1.277 0 50 FDAA Nc1nnc(SCC(=O)N2CCOc3ccc(CO)cc3C2)s1 215055482 XTACBWSUYAZCJA-UHFFFAOYSA-N 352.441 1.126 0 50 FDAA CN1C[C@@]2(CCCN(C(=O)c3cnc(-c4cccnc4)nc3)C2)OC1=O 72129368 XZMRRIZXCKUTBU-GOSISDBHSA-N 353.382 1.595 0 50 FDAA CNC(=O)C[C@@H]1C(=O)NCCN1C(=O)CCCc1ccc(Cl)cc1 77564463 NUTBRNHWMXPPTE-CQSZACIVSA-N 351.834 1.126 0 50 FDAA O=c1cc(CN2CCO[C@@H](Cc3cccc(C(F)(F)F)c3)C2)nc(O)[nH]1 71415857 AHARLNFBMPQDGQ-AWEZNQCLSA-N 369.343 1.938 0 50 FDAA Cn1c(CN2CCCC2)nnc1[C@H]1CCCN(C(=O)c2ccc(N)nc2)C1 72477912 OEXFZOQNHQAEJC-HNNXBMFYSA-N 369.473 1.408 0 50 FDAA CN1CC2(CCNCC2)C[C@H]1C(=O)NCc1cccc(OC(F)F)c1 72431642 ULKXSYSYLCWJDV-HNNXBMFYSA-N 353.413 1.978 0 50 FDAA Cn1cc(N2CCN(C(=O)c3csc(-c4ccccn4)n3)CC2)cn1 173676018 UGADHWNJDPHKGX-UHFFFAOYSA-N 354.439 1.901 0 50 FDAA CN(c1ccccc1)S(=O)(=O)NC(=O)c1ccc(-n2ccnc2)nc1 241588379 PCPROMHGIGFEKM-UHFFFAOYSA-N 357.395 1.378 0 50 FDAA Cc1cc(NC(=O)Cn2cc(-c3cnn(C)c3)cn2)n(-c2ccccn2)n1 48218429 JDCLIMNCANKIEE-UHFFFAOYSA-N 362.397 1.811 0 50 FDAA COC(=O)N1CCCC[C@H]1C(=O)NCc1cc2c(cc1OC)OCCO2 222355790 BBXUFLINCLRWJU-ZDUSSCGKSA-N 364.398 1.704 0 50 FDAA O=C(CN1CCN(c2ncccn2)CC1)N1CCC[C@@H]1c1ccccn1 221342512 IZIYMPFSCMWOCF-QGZVFWFLSA-N 352.442 1.357 0 50 FDAA CCS(=O)(=O)NC[C@@H]1C[C@H](F)CN1C(=O)COc1cccc(C)c1C 82109693 VOBIRVQQZZXFNX-GJZGRUSLSA-N 372.462 1.561 0 50 FDAA Cc1nc(C)n(CCCNC(=O)c2ccc(-c3cc(N)ncn3)cc2)n1 426648156 QHAZWVQHMAHIEB-UHFFFAOYSA-N 351.414 1.754 0 50 FDAA Cc1cc(=O)cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)C(=O)C2)o1 223842165 JLVFTCBQEGGVCW-UHFFFAOYSA-N 370.361 1.162 0 50 FDAA Cn1cc([C@H](NC(=O)c2cc3c([nH]c2=O)CCCC3)C2CC(O)C2)cn1 223749168 SZTAQHMZOWBUDV-MKTAYPAQSA-N 356.426 1.229 0 50 FDAA CN(Cc1ccc2nonc2c1)C(=O)CC[C@]1(CCC(=O)O)CCC(=O)N1 223687887 MWGBOSROEPABJF-SFHVURJKSA-N 374.397 1.475 0 50 FDAA O=C(Cn1nc2c(cc1=O)CCCCC2)N[C@@H](Cc1ccccc1)C(=O)O 49547060 XXNWYOHPHXHNNM-KRWDZBQOSA-N 369.421 1.324 0 50 FDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@H](C)n2ccnc2)cc1 426465047 ARNSMDGAASEBOM-AWEZNQCLSA-N 350.444 1.237 0 50 FDAA Cc1cc(=O)nc(NCCNC(=O)Cn2ccnc2-c2ccccc2)[nH]1 221231786 JIBXIOYSSOEYLV-UHFFFAOYSA-N 352.398 1.170 0 50 FDAA CS(=O)(=O)C[C@@H](O)c1cc2n(n1)CCN(C(=O)CC1CCCCC1)C2 221162717 NFULPAQNSIXGAD-MRXNPFEDSA-N 369.487 1.274 0 50 FDAA CS(=O)(=O)NCCC(=O)N1CCC[C@H](C(=O)CCc2ccccc2)C1 82133824 OEBWLPMFVLWYTP-INIZCTEOSA-N 366.483 1.366 0 50 FDAA O=C(NCc1nc(-c2ccccc2)no1)N1CCC(N2CCOCC2)CC1 426477350 HOCAMSAJOIVMCJ-UHFFFAOYSA-N 371.441 1.743 0 50 FDAA Cc1nc2ncccn2c1C(=O)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 91914952 HLZLWLOFLNNZAP-HXUWFJFHSA-N 367.453 1.902 0 50 FDAA O=C(N[C@H](Cc1ccccc1)C(=O)O)C1CCN(C2CCOCC2)CC1 426420046 VFCBWDKXPOUEAE-GOSISDBHSA-N 360.454 1.690 0 50 FDAA O=C1C[C@H](C(=O)N2CCN(c3ccncc3)CC2)c2cc(F)ccc2N1 91636935 BZOJDSMJYUUJFB-INIZCTEOSA-N 354.385 1.995 0 50 FDAA CC(C)(C)N1C(=O)[C@]2(Cc3ccccc3N3CCOC[C@H]32)C(=O)N=C1O 230036838 CTPIBAYUXNGWOC-LIRRHRJNSA-N 357.410 1.516 0 50 FDAA COc1cccc(-c2[nH]ncc2C(=O)N2Cc3nc[nH]c3C[C@H]2C(=O)O)c1 95500846 FHBWTWZERZAQAJ-HNNXBMFYSA-N 367.365 1.460 0 50 FDAA Cc1nc(C2CCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CC2)n[nH]1 426477440 SXOWIIVWFMRLSD-UHFFFAOYSA-N 362.455 1.465 0 50 FDAA COc1cc2c(cc1NC(=O)NCCc1nccs1)n(C)c(=O)n2C 426533888 XAJFEZXVUFVJCG-UHFFFAOYSA-N 361.427 1.706 0 50 FDAA O=C(NCCCN1CCCc2ccccc21)[C@@H]1CCCCn2nnnc21 97463617 SRSGZPIJKZDAEW-MRXNPFEDSA-N 354.458 1.900 0 50 FDAA CN1Cc2ccccc2C[C@H]1C(=O)N1CCC(c2cc(=O)[nH]cn2)CC1 97604165 VMGBUJMURRQJIE-SFHVURJKSA-N 352.438 1.533 0 50 FDAA Cc1cc(C)n([C@@H]2CCN(C(=O)CNS(=O)(=O)c3cccs3)C2)n1 91848362 XEGRCEVGEMFJHJ-CYBMUJFWSA-N 368.484 1.313 0 50 FDAA COc1ccc(Cc2nc3ccc(C(=O)NCC(N)=O)cc3o2)cc1OC 95512794 FBRSXOBHTVWRJL-UHFFFAOYSA-N 369.377 1.651 0 50 FDAA CN1C(=O)C[C@H](C(=O)O)C12CCN(Cc1ccc(-n3cccn3)cc1)CC2 95352149 MVHAVQOJSHGODE-QGZVFWFLSA-N 368.437 1.770 0 50 FDAA CCCN1C(=O)N[C@H](CC(=O)NCc2csc(N3CCCC3)n2)C1=O 244858470 VLSRRRVIHPRZJI-GFCCVEGCSA-N 365.459 1.080 0 50 FDAA Cc1ccc(N(CC(=O)N[C@H](C)c2nnc(N)s2)S(C)(=O)=O)cc1 243893620 ASTWYFNCNGZHAE-SNVBAGLBSA-N 369.472 1.072 0 50 FDAA Cc1oc(CN(C)C(=O)[C@@H]2CCCCN2S(C)(=O)=O)cc1C(=O)O 299750074 MPCBGCOCOOKQRM-ZDUSSCGKSA-N 358.416 1.059 0 50 FDAA COCC(=O)Nc1ccc(-n2cc(C(=O)OC)c3n[nH]c(=O)c-3c2)cc1 253396666 BEOOJLSJQRXYRN-UHFFFAOYSA-N 356.338 1.037 0 50 FDAA COCCc1noc(CN2CCNC(=O)[C@@H]2c2ccccc2Cl)n1 183521426 SFWRWFKNVGTTLR-HNNXBMFYSA-N 350.806 1.585 0 50 FDAA Cc1cn2nnc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c2c(O)n1 263618068 RCVRXMJDEWOVJV-UHFFFAOYSA-N 372.816 1.754 0 50 FDAA C[C@H](c1ccncc1)N(C)C(=O)c1cc(N)cc(S(=O)(=O)N(C)C)c1 299783038 GYAZXCDUHSGQKQ-GFCCVEGCSA-N 362.455 1.747 0 50 FDAA O=C(c1cn2cccnc2n1)N1CCC[C@H](Cn2cc(C3CC3)nn2)C1 48087859 FFTYFMXVOMEFBW-ZDUSSCGKSA-N 351.414 1.751 0 50 FDAA O=C(NCCCc1nccs1)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 299772514 AJAKJGKEZNMXSZ-CQSZACIVSA-N 371.528 1.091 0 50 FDAA CC1=C(CCN2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)C(C)(C)CCC1 299790851 DJZSWDALLPDQQI-IAGOWNOFSA-N 373.563 1.734 0 50 FDAA COc1ccc(CN2CCN(Cc3nc[nH]n3)CC2)cc1Cn1cccn1 824722723 FRUUZRDDRQSVPF-UHFFFAOYSA-N 367.457 1.376 0 50 FDAA CC(C)n1ncnc1-c1ccc(C(=O)NCCN(C)S(C)(=O)=O)cc1 584901410 XKVKGQQRCQXGHN-UHFFFAOYSA-N 365.459 1.147 0 50 FDAA C[C@]1(NC(=O)c2cccc(-c3cnc4nncn4c3)c2)CCS(=O)(=O)C1 584893862 QESMZBMTZXEYLF-KRWDZBQOSA-N 371.422 1.098 0 50 FDAA CC(C)n1cnnc1[C@@H](C)NS(=O)(=O)c1ccc2oc(=O)n(C)c2c1 670461238 NGCGMMWEIDJUDV-SNVBAGLBSA-N 365.415 1.343 0 50 FDAA Nc1ncnc2c1ncn2CCCC(=O)NC[C@H]1Cc2ccccc2O1 1449661750 RXYWFWGUCZTGTE-CYBMUJFWSA-N 352.398 1.309 0 50 FDAA O=C(CCn1cc(Cl)cn1)N1C[C@@H](CO)C[C@@H](CN2CCCC2)C1 1565512733 TVMDDRFRVNFWDX-GJZGRUSLSA-N 354.882 1.479 0 50 FDAA O=C(N[C@H]1COCC[C@@H]1Oc1ccccn1)c1cc(C(F)(F)F)n[nH]1 1565512734 UASDZXLQGQRCBM-QWRGUYRKSA-N 356.304 1.790 0 50 FDAA COc1ccc(S(=O)(=O)CCC(=O)N2CCCC[C@@H]2CN)cc1OC 269179207 HUEVHWNCYUOQCR-CYBMUJFWSA-N 370.471 1.207 0 50 FDAA O=C(c1nn(-c2ccc(Cl)cc2)cc1O)N1CCO[C@]2(CCOC2)C1 194503091 ZHJAKCYLECSBHM-QGZVFWFLSA-N 363.801 1.863 0 50 FDAA O=C(CN1C[C@H]2COCC[C@@]2(C(=O)O)C1)NCCc1ccc(Cl)cc1 1610665849 LFXKLCCXKWBARW-KBXCAEBGSA-N 366.845 1.422 0 50 FDAA O=C(NC1CCCCC1)N1CCC(NS(=O)(=O)N2CCCCC2)CC1 1506415270 ANSOVOOVWZVASC-UHFFFAOYSA-N 372.535 1.813 0 50 FDAA CN(C)C1(CNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CCCCC1 1529171805 CFNLAVRGMZWTLK-MSOLQXFVSA-N 359.470 1.623 0 50 FDAA COCc1cc(CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2C)[nH]n1 1529119546 JPUDAELIOBIHIF-MSOLQXFVSA-N 372.425 1.079 0 50 FDAA CO[C@@H]1C[C@H](C(=O)N2CCN(Cc3ccc(F)cc3)C(=O)C2)CC[C@@H]1O 1704354944 NKBMLJRVRPQLOA-HYVNUMGLSA-N 364.417 1.173 0 50 FDAA O=C(CCCn1cncn1)N1C[C@@H]2CNC[C@]2(CCc2ccccc2)C1 1772705298 MGEKARXRJUEDLE-AZUAARDMSA-N 353.470 1.739 0 50 FDAA COCCCn1c(C(=O)NCCOC)cc2c(=O)n3cccc(C)c3nc21 5265620 ILTHKFUTMPEQSA-UHFFFAOYSA-N 372.425 1.370 0 50 FDAA CC[C@@H](C)[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(=O)OC 11692309 BBBLNHXITNZBEV-WVZRYYJFSA-N 361.442 1.565 0 50 FDAA biogenic CN(Cc1nc2ccccc2s1)C(=O)Cn1nnnc1CN1CCCC1 11999564 GQSWPLDFSCNKJJ-UHFFFAOYSA-N 371.470 1.537 0 50 FDAA O=C(CN1CCOCC1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 19855259 XSNAIUJTYPNSIM-UHFFFAOYSA-N 367.471 1.132 0 50 FDAA Cn1cccc1C(=O)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857719313 JPQJGPKYGLYIRK-HLIPFELVSA-N 351.406 1.940 0 50 FDAA CCc1ccc(C(=O)NC[C@H]2[C@H]3CN(CC(=O)O)C[C@]34CC[C@H]2O4)s1 1857721229 GCEOJJCNZUDENG-HNSFDTNUSA-N 364.467 1.604 0 50 FDAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3ccnn3-c3ccccc3)C[C@@H]12 1857724367 XIKBLIIATLRZQK-KSZLIROESA-N 360.483 1.031 0 50 FDAA O=C([C@H]1CC[C@H]2OCCN[C@@H]2C1)N1CCN(c2nc3ccccc3o2)CC1 1857733784 YHLPTMMHNISABY-USXIJHARSA-N 370.453 1.634 0 50 FDAA CC(C)[C@H]1CN2C[C@H](NC(=O)Cn3cnc4ccccc4c3=O)C[C@H]2CO1 1857736738 SVBMIGWIZKVIIX-RVKKMQEKSA-N 370.453 1.010 0 50 FDAA O=C(O)CN1C[C@@H]2[C@H](CNC(=O)c3cc4ccccc4[nH]3)[C@H]3CC[C@]2(C1)O3 1857737170 ZRNNAOFEIUJFMM-AADOQKPJSA-N 369.421 1.462 0 50 FDAA CCCc1nnc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)s1 1462426 PRCDMIDYLVNNLZ-UHFFFAOYSA-N 366.424 1.274 0 50 FDAA C[C@H](c1nnnn1C)N1CCN(Cc2ccc(Br)cc2)CC1 330952100 KVDMHUMWVIVAQG-GFCCVEGCSA-N 365.279 1.851 0 50 FDAA O=C(c1ccn([C@@H]2CCCNC2)n1)N1CCN(c2ccc(F)cc2)CC1 262694208 AUFFLTAJUXUSER-QGZVFWFLSA-N 357.433 1.909 0 50 FDAA Cc1nnc(COC2CN(C(=O)[C@@H](O)c3ccc(Cl)cc3F)C2)o1 818662766 NNLNNOOQIPYSFE-AWEZNQCLSA-N 355.753 1.632 0 50 FDAA CCOc1ccc(C(=O)NCC(=O)N2C[C@]3(C)CN(C)C[C@]3(C)C2)cc1 823374294 AMCUFBAMXWDIKM-BGYRXZFFSA-N 359.470 1.615 0 50 FDAA Cc1noc([C@@H]2CC(=O)N(C3CN(C(=O)c4occc4C(C)C)C3)C2)n1 864683313 MPPXHJYNOXAUSC-GFCCVEGCSA-N 358.398 1.935 0 50 FDAA Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNc2ccnc(N3CCCCC3)n2)C1 952849152 IPYUQQAKQKWNPT-RRFJBIMHSA-N 357.462 1.562 0 50 FDAA 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O=C(NC[C@H]1CCCN(c2cncc(Br)c2)C1)[C@H]1CCCN1 262398394 CCRYQXHGHJNOGI-IUODEOHRSA-N 367.291 1.929 0 50 FDAA CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ccc3nc(C)oc3c2)cn1 818598674 PBFQZHNHRRAYGK-DOTOQJQBSA-N 356.382 1.929 0 50 FDAA CO[C@@H]1C[C@H](CNC(=O)c2c[nH]c3nccc-3c2)N(c2ccncn2)C1 952886560 CAFVSUHMJAFBLK-HUUCEWRRSA-N 352.398 1.328 0 50 FDAA COC1(CO)CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C1 1875298805 NZUJWWYXIXNWOV-UHFFFAOYSA-N 366.215 1.673 0 50 FDAA CN1CCN(CCN=c2ccc(-n3ccnc3)n[nH]2)[C@@H](c2ccccc2)C1 1875257476 OVYSZRBLWFUGQV-GOSISDBHSA-N 363.469 1.485 0 50 FDAA C[C@H]1[C@@H](CNC(=O)Nc2cccc(C(=O)N3CCCC3)c2)N(C)CCN1C 1875265751 IRYKGAUKWCVNHM-MAUKXSAKSA-N 373.501 1.678 0 50 FDAA CCCC(=O)NC[C@H]1CC[C@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)CC1 1875341717 DZGLXBHORVBHQK-KKUMJFAQSA-N 358.504 1.260 0 50 FDAA O=C(NC[C@@H]1CN2CC3CC2(CO1)C3)c1ccc2ncn(C3CC3)c2c1 1875318497 SHIFKJSERQZBGR-WGAFOPHPSA-N 352.438 1.964 0 50 FDAA O=C(NCc1cccc(Cn2cccn2)c1)c1ncoc1[C@H]1[C@H]2CN[C@H]1C2 1875393815 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C=CC(=O)N1CCC[C@@H](C(=O)N2CCc3cc(C(=O)OC)sc3C2)C1 2325888735 VVRLGAVQRPRQOP-CYBMUJFWSA-N 362.451 1.844 0 50 FDAA CCc1cccc(CC)c1N1C[C@@H](C(=O)N[C@@H]2CCC(=O)NC2=O)CC1=O 1857797908 DFEKURJSBCMHKR-LSDHHAIUSA-N 371.437 1.086 0 50 FDAA COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 814686 IWZIWPPYILHPLE-UHFFFAOYSA-N 362.363 1.719 0 50 FDAA COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(S(N)(=O)=O)cc1 861704 YEPVLQAOOPYFLA-OAHLLOKOSA-N 364.379 1.632 0 50 FDAA COC(=O)[C@@H]1CCN(C(=O)c2cc3c(s2)CCOC32CCNCC2)C1 2356147930 ZBQJBEGXJYIALN-GFCCVEGCSA-N 364.467 1.535 0 50 FDAA O=C(Cc1cccc(Cl)c1)N1CCC[C@]12CCCN(CCO)C2=O 2356148759 QKEKHHHPUIIHNJ-SFHVURJKSA-N 350.846 1.858 0 50 FDAA CC(C)[C@H](O)c1nnc2ccc(C(=O)N[C@H]3CC[C@H](C(=O)O)CC3)cn12 2356149914 FCEHOMKBBDPZGP-WHOFXGATSA-N 360.414 1.792 0 50 FDAA COCCN1CCC[C@@]2(CCCN2C(=O)c2cc(C)n(C(F)F)n2)C1=O 2356159780 QEOIAXXZOIGLGA-QGZVFWFLSA-N 370.400 1.830 0 50 FDAA CCCOc1ccccc1C(=O)N1CCNC(=O)[C@H]1CC(=O)OC(C)C 4984307 WQRFDPZHOMQLCK-OAHLLOKOSA-N 362.426 1.758 0 50 FDAA Cc1nn(C[C@H](C)C(=O)N2CCC(C(N)=O)CC2)c(C)c1Br 2790943 OUVFXLQCGZSIDJ-VIFPVBQESA-N 371.279 1.622 0 50 FDAA COCCN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl 55244490 RUOMDOUQIZZBSS-HNNXBMFYSA-N 371.840 1.274 0 50 FDAA CC(C)NC(=O)CNC(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 111440332 NOMSOOZLELSFEJ-ZDUSSCGKSA-N 368.428 1.753 0 50 FDAA O=C(CCn1ccc(=O)[nH]c1=O)N1CCCC[C@H]1CCc1ccc(O)cc1 55224597 KCFRFYWHEDKTGY-INIZCTEOSA-N 371.437 1.646 0 50 FDAA O=C(O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 100445653 YGTSBWSWLUWAKN-GONCHEPGSA-N 370.449 1.722 0 50 FDAA CN1CCCN(CCC(=O)N2CC[C@@H](Cc3cccc(CO)c3)C2)CC1 107664648 JZSTUZJPYDJSGR-IBGZPJMESA-N 359.514 1.598 0 50 FDAA O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2 101621536 KYKUIYWAQVIUIM-KKUMJFAQSA-N 353.422 1.798 0 50 FDAA CCn1nc(C)c(NC(=O)CN2CCNC(=O)[C@@H]2Cc2ccccc2)c1C 65385262 NDHFZJCWJTVNGS-KRWDZBQOSA-N 369.469 1.501 0 50 FDAA OC[C@@H]1O[C@H](c2ccccc2)O[C@H]1[C@@H]1O[C@@H](c2ccccc2)O[C@@H]1CO 26892994 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KSLUHZUWGMKIQN-CYBMUJFWSA-N 354.385 1.858 0 50 FDAA Nc1nnc(CNC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)o1 367587493 JLLBGSDNHJQQBD-SECBINFHSA-N 370.335 1.598 0 50 FDAA O=C(c1ccnc2ccncc12)N1CC[C@H](Nc2ccc3nccn3n2)C1 369645779 DULGYFTWUXTPLT-ZDUSSCGKSA-N 359.393 1.999 0 50 FDAA O=C(N[C@H](CO)c1ccsc1)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 332845069 NHNCGQGGXFUWAZ-OWCLPIDISA-N 364.467 1.339 0 50 FDAA CN1CCC2(CCCN2C(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1 372435821 NXUVLIRNUAYDSP-UHFFFAOYSA-N 366.465 1.992 0 50 FDAA CCC(CC)N1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2nnc(C)o2)[C@H]3C1=O 77406322 BCDWNTXLMZYQFI-FJXLLPKBSA-N 374.441 1.307 0 50 FDAA CCN1Cc2nc(OC)c(CNC(=O)CCc3cccnc3)cc2C1=O 71749686 NVGZVLCCNYOGFC-UHFFFAOYSA-N 354.410 1.710 0 50 FDAA C[C@@]1(c2ccccc2)CCCN(C(=O)NCCNS(C)(=O)=O)CC1 286648999 QUNPTWVHNPGWCL-QGZVFWFLSA-N 353.488 1.689 0 50 FDAA CCn1ncc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(=O)O)cc2)c1C 223698071 RHACHZAZOPAUIR-IAGOWNOFSA-N 373.409 1.876 0 50 FDAA Cc1cccc(OCC(=O)NCc2cc3n(n2)CCN(C(=O)N(C)C)C3)c1 82100127 IKBZPQCGEGUKJX-UHFFFAOYSA-N 371.441 1.384 0 50 FDAA C[C@H](CCC(=O)N1CCN(c2ccccc2)C(=O)C1)N1CCN(C)CC1 82157811 HJRZVWRUGQGIHR-QGZVFWFLSA-N 358.486 1.278 0 50 FDAA O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1nncs1 19358775 LCGFWGNBMKDVMD-UHFFFAOYSA-N 361.427 1.023 0 50 FDAA O=C(N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C1(n2cnnn2)CCCCC1 225415921 ISCIDHBHTCRDOQ-CABCVRRESA-N 368.441 1.140 0 50 FDAA biogenic Cc1nc2ncccn2c1C(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1 220178342 AJIWIPDNGMSJPA-ZIAGYGMSSA-N 373.438 1.598 0 50 FDAA Cc1c(CN2CCC[C@@H](c3nnc(CN4CCOCC4)n3C)C2)cnn1C 426518403 UVHMZTUQOTXSKY-MRXNPFEDSA-N 373.505 1.069 0 50 FDAA COc1cc(OC)nc(N2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)n1 82134538 ZOQYEYPUJPUAJY-SFHVURJKSA-N 364.446 1.085 0 50 FDAA CCCN(C(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C)[C@H]1CCNC1 178904555 APWKGBOEZUOGAK-HNNXBMFYSA-N 365.499 1.650 0 50 FDAA OCCN=c1[nH]c([C@H]2CCOC2)cc(=NCc2ccnc3ccccc23)[nH]1 426693763 OGNDKDDAFTUCPF-HNNXBMFYSA-N 365.437 1.389 0 50 FDAA O=C(Cn1nccc1[C@@H]1CCCNC1)N1CCN(Cc2cccs2)CC1 426722364 DPFDASNGNLSHEE-MRXNPFEDSA-N 373.526 1.756 0 50 FDAA CN(C)C[C@H]1C[C@@H](CO)CN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)C1 91914801 APKILGMEHXZWSY-CHWSQXEVSA-N 361.417 1.299 0 50 FDAA C[C@@H](NC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O)c1cccc(F)c1F 179648916 LGTATBYBPYZOPB-SNVBAGLBSA-N 366.368 1.752 0 50 FDAA NC(=O)CN1CCC[C@H](c2ncnn2-c2ccc(OC(F)(F)F)cc2)C1 91677949 CFIMRHVNMBXBKQ-NSHDSACASA-N 369.347 1.831 0 50 FDAA Cn1ccnc1CN1CCN(C(=O)c2cc(-c3ccc(O)cc3)n[nH]2)CC1 91757714 KEYFTJRCVIPSDC-UHFFFAOYSA-N 366.425 1.474 0 50 FDAA CC(C)Oc1ccc(Cl)cc1CNC(=O)[C@H]1CCCN(CC(N)=O)C1 91951848 UQQNOFVBKSHAOH-ZDUSSCGKSA-N 367.877 1.941 0 50 FDAA Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)Cn2ccccc2=O)n1 97572207 YTBXDJQEIQXZID-NSHDSACASA-N 356.348 1.825 0 50 FDAA CN1CC2(CCN(C(=O)CCCC(N)=O)CC2)C[C@H](c2ccccc2)C1=O 91519179 AIJOCVNPNJVRAZ-QGZVFWFLSA-N 371.481 1.897 0 50 FDAA CCc1n[nH]c(SCC(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)N(C)C)C3)n1 95371300 HAMMTQWRJWAWLO-NWDGAFQWSA-N 366.491 1.064 0 50 FDAA O=C(CN1CCOCC1)N1CCC[C@H](c2nccn2Cc2ccncc2)C1 91707407 URXHLJVOJFIZIO-SFHVURJKSA-N 369.469 1.365 0 50 FDAA Cc1cnc(C(=O)N2CCC3(CCC(=O)N([C@@H]4CCN(C)C4)C3)CC2)cn1 91468390 ULRZCSKUUQSMGA-MRXNPFEDSA-N 371.485 1.334 0 50 FDAA COc1ccc2c(c1)C[C@@H](C(=O)NCc1nc(-c3ncccn3)no1)CO2 91736742 JSBLCQZXEGKDOB-GFCCVEGCSA-N 367.365 1.403 0 50 FDAA CCn1cc(CNc2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)cn1 96163117 MVQYKUADOGTFQU-UHFFFAOYSA-N 374.445 1.504 0 50 FDAA Cc1c([C@H](C)NC(=O)CN2C(=O)CNC2=O)cnn1-c1cccc(F)c1 91595894 VHDXAEOFBDZABD-JTQLQIEISA-N 359.361 1.049 0 50 FDAA CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)N[C@H]2CCCc3ccccc32)C1 244884252 YIKCHOFZDFARRY-WBVHZDCISA-N 365.499 1.699 0 50 FDAA COc1cc(NC(=O)CCN2CCc3[nH]nc(C(=O)O)c3C2)cc(OC)c1 243914699 BJQHJHGGFYFGPZ-UHFFFAOYSA-N 374.397 1.512 0 50 FDAA COc1cc(CCC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)cc(OC)c1 299748257 GPYAYLJJLDXERN-LPHOPBHVSA-N 362.470 1.598 0 50 FDAA COc1cccc(SCC(=O)N2CC[C@@H]3OCc4cnnn4[C@H]3C2)c1 299800515 SZMVBCQKQYGPNX-HOTGVXAUSA-N 360.439 1.751 0 50 FDAA Cc1nnc(-c2cccc(NC(=O)NCCN3CCCC[C@H]3CO)c2)[nH]1 299783562 WGBSZESOQMVIKT-INIZCTEOSA-N 358.446 1.748 0 50 FDAA Cc1ccc(NS(C)(=O)=O)cc1NC(=O)NCCSc1cnn[nH]1 299763038 XZSVZZJOVPPMDJ-UHFFFAOYSA-N 370.460 1.398 0 50 FDAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cccc(-c2cc(C)nc(N)n2)c1 299791923 FAORGRJTLKETDN-IRXDYDNUSA-N 355.442 1.483 0 50 FDAA O=C(NCCc1cn2cccnc2n1)C1(N2CCOCC2)CCCCC1 299799596 UEDCBHYRUQRRTD-UHFFFAOYSA-N 357.458 1.423 0 50 FDAA CCN1CCNC(=O)[C@@H]1CC(=O)N1CCCN(c2ccccc2C)CC1 299775701 GTTHNQUKHSFAMH-SFHVURJKSA-N 358.486 1.244 0 50 FDAA CC(C)CN1C[C@@H](C(=O)Nc2cccc(NC(=O)CN(C)C)c2)CC1=O 821236099 LEIUSCXOXSJAGV-AWEZNQCLSA-N 360.458 1.630 0 50 FDAA COc1ccc2[nH]c(CN[C@H]3CCC(=O)N(CC(=O)N(C)C)CC3)cc2c1 824758556 JNHLGTZHHOCCTG-HNNXBMFYSA-N 372.469 1.735 0 50 FDAA O=C(NC[C@@H]1CCOC1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 275485103 USOFMOLBRMJGGL-JKSUJKDBSA-N 360.458 1.881 0 50 FDAA Cc1nc2ccc(Cl)cn2c1C(=O)N[C@H]1CCOC[C@@H]1OCC(=O)O 1565525827 ZHMGNXYHCUATTJ-RYUDHWBXSA-N 367.789 1.285 0 50 FDAA COc1cc(CN[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc(OC)c1 170066183 JHVUCMJIIQGMOJ-PBHICJAKSA-N 355.456 1.530 0 50 FDAA COc1ccc(C)cc1-n1ccc(C(=O)NS(=O)(=O)c2cnccn2)n1 758567918 GSVAEQNZBWLBFE-UHFFFAOYSA-N 373.394 1.098 0 50 FDAA NC(=O)N1CCC[C@H](C(=O)NCCC(=O)Nc2cc(F)ccc2F)C1 1506417366 HQAJOSKZFVYFIZ-JTQLQIEISA-N 354.357 1.200 0 50 FDAA CC(=O)c1cccc(N2CN=c3s/c(=C\c4ccccc4)c(=O)n3C2)c1 1149100 WDGLAFLQYCPOSV-ZDLGFXPLSA-N 363.442 1.996 0 50 FDAA O=C([C@@H]1CCCCN1C(=O)c1ccccc1)N(CCO)Cc1ncc[nH]1 1704314510 UHBLSIXOLDOOSN-INIZCTEOSA-N 356.426 1.426 0 50 FDAA C[C@H]1C(=O)N2CCC[C@@H]2CN1S(=O)(=O)c1ccc2c(c1)OCCCO2 1772703280 MFJNRKPSAVVYBT-QWHCGFSZSA-N 366.439 1.232 0 50 FDAA CC1(C)CNC(=O)C2(CCN(C(=O)c3cccc4c3CCC4=O)CC2)NC1 1772805717 RHZHIIPRAAROMR-UHFFFAOYSA-N 369.465 1.536 0 50 FDAA COc1ccc(-c2ccc(=O)n(CC(=O)NC3CCCC3)n2)cc1OC 5388621 CQOZUWCXJSXYFH-UHFFFAOYSA-N 357.410 1.986 0 50 FDAA COC(=O)c1cccc(C(=O)N[C@@H]2CCCN(C3CCN(C)CC3)C2)c1 11718908 LCIOKALKJQPYIU-QGZVFWFLSA-N 359.470 1.762 0 50 FDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NC2CCC2)c(OC)c1 11841143 ZQFQOWXLQDDEAR-INIZCTEOSA-N 361.442 1.063 0 50 FDAA COc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NCCO)cc1 12655917 XQJRCCKSSSHHEX-AQTBWJFISA-N 354.406 1.883 0 50 FDAA Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](CO)(O4)[C@@H]3C2=O)cc1Br 169683043 RSJFUECLXYFTIV-FOCJUVANSA-N 364.195 1.563 0 50 FDAA biogenic O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)NCCc1ccncc1 169772655 KTNYGHAPRPRDNF-MRXNPFEDSA-N 352.394 1.271 0 50 FDAA CNC(=O)Cc1nc([C@H]2CCn3nccc3C2)n(CCc2ccccc2)n1 1857671054 NVLAKOJNTFFZHG-INIZCTEOSA-N 364.453 1.736 0 50 FDAA COc1ccc(-n2nc(CC(N)=O)nc2[C@@H]2CCn3nccc3C2)cc1 1857680174 CZVIBCHTGATLIZ-GFCCVEGCSA-N 352.398 1.230 0 50 FDAA CN1CC(=O)N(c2cccc(-n3ccnc3-c3cnn4cccnc34)c2)C1=O 1857690871 PWGRUMQRCGUQDL-UHFFFAOYSA-N 373.376 1.980 0 50 FDAA O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)[C@@H]1CCc2ncnn2C1 1857712129 LNEJCEHJLNTUIX-QGZVFWFLSA-N 367.453 1.783 0 50 FDAA CCOCCC(=O)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857719393 LOLYVFIGAOQRFO-HKUYNNGSSA-N 363.458 1.109 0 50 FDAA C[C@@H]1N(C(=O)c2ccc(-n3cnnn3)cc2)CCC[C@@]12CCCNC2=O 1875247628 YSIDWGZPIJZGNR-UGSOOPFHSA-N 354.414 1.183 0 50 FDAA Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)N(C)CCS(C)(=O)=O)C1 117504478 PERZOXMVBBXGGB-OAHLLOKOSA-N 371.478 1.789 0 50 FDAA COc1cccc(C(=O)NCC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c1 363696951 BLMCEXPUJCZURS-INIZCTEOSA-N 358.398 1.439 0 50 FDAA Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CC[C@]3(CCOC3)C2)n1 153771473 XXXVWMJDGMUBGC-IBGZPJMESA-N 370.457 1.638 0 50 FDAA C[C@H]1CCC[C@@H](C)N1C(=O)CN1CCC(S(=O)(=O)N2CCCC2)CC1 377120809 QOJLNGRRWKQLLI-IYBDPMFKSA-N 371.547 1.666 0 50 FDAA C=CC(=O)NCc1ccc(C(=O)N2C[C@H](C)[C@@H](N3CCOCC3)C2)cc1 266190909 NAWHSAYVLWXHAQ-YJBOKZPZSA-N 357.454 1.282 0 50 FDAA O=C(NS(=O)(=O)Cc1ccc2c(c1)COC2)C(F)(F)c1nccs1 821764800 LVYKFEJZSOZCBO-UHFFFAOYSA-N 374.390 1.911 0 50 FDAA O=C(NC1CC1)c1ccc(N2CCC[C@@H](c3nnc4n3CCC4)C2)nn1 1875261334 XKZGSJSERDRYGB-GFCCVEGCSA-N 353.430 1.291 0 50 FDAA CC(C)N1CCC(NC(=O)Cn2cc(-c3ccc4c[nH]nc4c3)nn2)CC1 1875325379 WVEXNXBASVRMJS-UHFFFAOYSA-N 367.457 1.810 0 50 FDAA CC1(C)CO[C@H](CC(=O)O)CN1C(=O)Cc1cc2ccccc2nc1O 1875306043 QROXWUPZMKIHMP-CQSZACIVSA-N 358.394 1.964 0 50 FDAA CS(=O)(=O)Nc1ccccc1CN=c1cc(-c2ncccn2)nc[nH]1 1875335281 ZPIQDJBCBPBDIL-UHFFFAOYSA-N 356.411 1.339 0 50 FDAA O=C(N1C[C@H](N=c2nc[nH]n3cccc23)C2(CCC2)C1)[C@@]1(F)CCOC1 1875407613 DYFMXCZPKQIGKF-KBXCAEBGSA-N 359.405 1.073 0 50 FDAA CC(=O)NCc1cc(O[C@H]2CCN(C(=O)c3ccc(C)n3C)C2)ccn1 886088849 NFMLYNTZYBIOTF-KRWDZBQOSA-N 356.426 1.658 0 50 FDAA CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(Cc2ccc(F)cc2)CC1 888103324 COOQNGNCAIWUIE-OALUTQOASA-N 374.460 1.805 0 50 FDAA Cn1c(=O)c(CN2CCC(c3ncc(C(N)=O)[nH]3)CC2)cc2ccccc21 2325759873 IHFLBVSAJLHKHS-UHFFFAOYSA-N 365.437 1.740 0 50 FDAA Cc1nc(CN2C(=O)CCN(C[C@H](C)N3C[C@H](C)O[C@H](C)C3)C2=O)co1 2325779656 VXSDLDCNEYWPGE-MELADBBJSA-N 364.446 1.635 0 50 FDAA COc1cc(CN2CC[C@H](NC(=O)C[C@@H]3C=C[C@H](N)C3)C2)cc(OC)c1 2325798792 AUUFALJMWVKDDH-PVAVHDDUSA-N 359.470 1.688 0 50 FDAA O=C(N[C@@H]1c2cccc(O)c2C[C@@H]1C(=O)O)C1=CNC2=NCCCC2=C1 2325820942 FYBAGYYARXHEJD-GOEBONIOSA-N 353.378 1.412 0 50 FDAA CCn1ccc(CC(=O)Nc2cccc(NC(=O)Cc3nc[nH]n3)c2)n1 2325873632 NQRQCHLHDVIOFC-UHFFFAOYSA-N 353.386 1.384 0 50 FDAA Cc1noc(C[C@@H]2CCCN(C(=O)N[C@@H]3C[C@@H]4CCCCN4C3=O)C2)n1 895288340 OZZTVOWTVWKKJR-SOUVJXGZSA-N 361.446 1.496 0 50 FDAA O=C(NC1CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 855874 CLBCXCHIXOWTGZ-UHFFFAOYSA-N 352.456 1.770 0 50 FDAA COC(=O)COc1ccc(S(=O)(=O)NCc2ccc(OC)cc2)cc1 1119443 DVZQRJNKBNFMTP-UHFFFAOYSA-N 365.407 1.726 0 50 FDAA O=C(N[C@H]1CCCCNC1=O)c1cc2c(s1)CCOC21CCNCC1 2356155311 BNCMURXRLYZZHL-ZDUSSCGKSA-N 363.483 1.298 0 50 FDAA O=C(CSC1=NC(=O)[C@@H](c2ccccc2)C(=O)N1)Nc1nncs1 2971508 GYFASDYUFCNCRG-UHFFFAOYSA-N 361.408 1.006 0 50 FDAA CN(C)S(=O)(=O)N1CCC(C(=O)NCc2ccc(Cl)cc2)CC1 10357944 NPUJBLXRKRBPTQ-UHFFFAOYSA-N 359.879 1.475 0 50 FDAA O=C(CCSc1ccc2c(c1)OCCO2)NC[C@H]1CCS(=O)(=O)C1 55271771 SHIZSCJHRNMEDM-GFCCVEGCSA-N 371.480 1.491 0 50 FDAA CC(C)(NC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1nn[nH]n1 461636967 UZVSIVQHHCEGMZ-CQSZACIVSA-N 356.430 1.032 0 50 FDAA O=C(CCn1cnnn1)Nc1ccccc1C(=O)n1cnc2ccccc21 55324850 NKHCECUDTLRJIX-UHFFFAOYSA-N 361.365 1.740 0 50 FDAA O=C(Nc1ccc(OCCN2CCOCC2)cc1)c1n[nH]c2c1CCC2 409414785 OFZNTZUEUGRATH-UHFFFAOYSA-N 356.426 1.862 0 50 FDAA CCc1cnc(C)nc1N1CCN(Cc2c(C)nn(CCO)c2C)CC1 65381044 BYPGRCMBQBRYQP-UHFFFAOYSA-N 358.490 1.475 0 50 FDAA O=C1NCCN(C(=O)c2ccc(-n3cnnc3)cc2)[C@H]1c1ccc(F)cc1 65371683 FHKFSRZALZYOLG-KRWDZBQOSA-N 365.368 1.720 0 50 FDAA O=C(O)c1c(S(=O)(=O)NCCC[C@H]2CCOC2)sc2c1CCNC2 67771142 BSWSABWGYWYZDG-JTQLQIEISA-N 374.484 1.187 0 50 FDAA CC[C@@H](C(=O)NC1CCN(C)CC1)N(c1ccc(F)cc1)S(C)(=O)=O 67601753 GTSAZXCWKXOBFX-INIZCTEOSA-N 371.478 1.581 0 50 FDAA CCN(CCCN1CCCC1)C(=O)NCCN1CCC(N(C)C)CC1 252499871 SHMVJNDOOLTBQU-UHFFFAOYSA-N 353.555 1.530 0 50 FDAA COc1cccc(C(=O)NC(=O)OCCN2C(=O)c3ccccc3C2=O)c1 1422318 SNZPJZSVLYEITE-UHFFFAOYSA-N 368.345 1.858 0 50 FDAA 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O=C(NCCc1ccc2c(c1)OCO2)[C@H](c1cccnc1)N1CCOCC1 95497216 MQOHPRCBTBCSFR-IBGZPJMESA-N 369.421 1.543 0 50 FDAA CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)Cc2n[nH]c3ccccc23)C1 240824884 QLQVGDDSADXHLO-HAQNSBGRSA-N 354.414 1.272 0 50 FDAA Cc1cc(-c2ccccc2)nc(CN2CCCN(S(C)(=O)=O)CC2)n1 244742071 OBJMFRCOZXRWDJ-UHFFFAOYSA-N 360.483 1.919 0 50 FDAA COc1ccc(C(=O)N2CCN(Cc3noc([C@@H]4CCCO4)n3)CC2)cc1 244691943 JLQYGCBGBPEOLA-INIZCTEOSA-N 372.425 1.888 0 50 FDAA CCN(C[C@@H]1CCCCO1)C(=O)c1cc(C)nc2c1c(=O)nc(O)n2C 240163541 JBTGDAVPTIHYEJ-LBPRGKRZSA-N 360.414 1.374 0 50 FDAA CCN1Cc2ccccc2C[C@@H]1C(=O)N1CCN(C2CCOCC2)CC1 252489459 JRLJJTNWULTXOZ-HXUWFJFHSA-N 357.498 1.756 0 50 FDAA Cc1nc(CCN2CCCN(S(=O)(=O)N3CCCC3)CC2)cs1 252479560 BHNPWPWIOOYMIN-UHFFFAOYSA-N 358.533 1.342 0 50 FDAA Cc1[nH]nc(CCC(=O)N[C@H]2C[C@@H](c3cc(NCCO)ncn3)C2)c1C 252535651 GNSDQNWVTKZEDT-OKILXGFUSA-N 358.446 1.216 0 50 FDAA O=C(NCCCn1cc(Cl)cn1)C1CCN(C2CCOCC2)CC1 299771438 XAHSKQJVZPUUCS-UHFFFAOYSA-N 354.882 1.934 0 50 FDAA COCCc1noc([C@H](C)NC(=O)c2cccc(N3CCNC3=O)c2)n1 299766219 HAJSGQGWOFDMRD-NSHDSACASA-N 359.386 1.279 0 50 FDAA CC(=O)c1c(C)nn(CCC(=O)N2CCC[C@@H](c3cc(O)ncn3)C2)c1C 299760936 SKWSNIIBUROSCP-OAHLLOKOSA-N 371.441 1.994 0 50 FDAA CCC(=O)N1CCOC2(CCN(C(=O)c3cccc4nccnc34)CC2)C1 822533874 FAGZMORQYSBCAU-UHFFFAOYSA-N 368.437 1.873 0 50 FDAA CN(C(=O)c1cnc(O)n(C)c1=O)[C@H]1CCCN(Cc2ccccc2)C1 267691018 YGRDZOLCOAHSFY-HNNXBMFYSA-N 356.426 1.223 0 50 FDAA CCOc1cccc(C(=O)N[C@H]2CCN(Cc3cccnc3)C[C@@H]2O)c1 1565528160 DVECCJKVFYWBQF-OALUTQOASA-N 355.438 1.846 0 50 FDAA CC(=O)N[C@H](CC(=O)N1CCOC[C@H]1C(=O)O)c1ccc(Cl)cc1 268989719 SBKVDDDPWQWXDG-KGLIPLIRSA-N 354.790 1.219 0 50 FDAA COCCn1cc(NS(=O)(=O)c2cc(C)cc(C(=O)O)c2F)cn1 270051458 HUDGQSMIHJQOOR-UHFFFAOYSA-N 357.363 1.476 0 50 FDAA CCN1CCN(Cc2ccc(CNC(=O)c3cccc(=O)[nH]3)cc2)CC1 170617910 HYXBCNJWRSHCQF-UHFFFAOYSA-N 354.454 1.442 0 50 FDAA CN1CCN(C(=O)NCCc2ccc3c(c2)CCO3)C[C@H]1c1nccn1C 275308579 BGOAPOKKZBUZNL-KRWDZBQOSA-N 369.469 1.596 0 50 FDAA O=C(Cc1cc(O)nnc1O)N1CCC([C@@H](O)CCc2ccccc2)CC1 1506398499 QJLATEZSAFHSEH-KRWDZBQOSA-N 371.437 1.663 0 50 FDAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1c(C)ncnc1C 1529198952 QRFUZEPHRIUUPN-CYBMUJFWSA-N 363.443 1.519 0 50 FDAA CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)Cc1ccc(F)cc1F)C2 222322991 ZSDQBJNZSBPEBE-RISCZKNCSA-N 358.410 1.390 0 50 FDAA CSCC[C@H](NC(=O)/C(=C/c1ccc(F)cc1)NC(C)=O)C(=O)O 5126615 XLXYMSVBLJQCFU-GFAPJHNFSA-N 354.403 1.625 0 50 FDAA NC(=O)C1CCN(C(=O)CSc2nc(O)cc(-c3ccccc3)n2)CC1 17721168 UQRSLRWXAWLFNN-UHFFFAOYSA-N 372.450 1.665 0 50 FDAA COCCNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860689 SBOJFKOQGKTVSU-CQSZACIVSA-N 374.890 1.644 0 50 FDAA O=C(Cc1ccccn1)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857676730 WVIGMHNNKISTMJ-HXUWFJFHSA-N 351.406 1.900 0 50 FDAA CC[C@@H](C)CN1CCOC2(CCN(C(=O)c3ccc(=N)[nH]c3)CC2)CC1=O 1857686049 FZUJXHOIXPOZET-OAHLLOKOSA-N 374.485 1.764 0 50 FDAA COC(=O)c1coc(CN2CCC3(CC2)C[C@H](O)C[C@H](C(C)C)O3)n1 1857700365 ANTDFWJNQDYOEZ-UKRRQHHQSA-N 352.431 1.992 0 50 FDAA CC(=O)NCCNC(=O)c1cc2c(s1)CCOC21CCN(C)CC1 1857704015 ZZCNJUFBEJGNFW-UHFFFAOYSA-N 351.472 1.108 0 50 FDAA O=C(NCCc1csc(-c2ncccn2)n1)[C@@H]1CCc2ncnn2C1 1857741162 GLEIQROFZOYKLA-LLVKDONJSA-N 355.427 1.113 0 50 FDAA Cc1cc(NC(=O)Cn2c(=O)n(C)c3ccccc32)nn1CC(F)(F)F 416117612 ZYNUORPOXGXAME-UHFFFAOYSA-N 367.331 2.046 0 50 FDAA C[C@H](C(=O)NC(N)=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 125821049 BNTZNZOGFJDCRW-CQSZACIVSA-N 364.449 1.957 0 50 FDAA CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1scc3c1OCCO3)C2 247550712 VWEIDTDPPCNNEE-MNOVXSKESA-N 372.468 1.015 0 50 FDAA C[C@H]1CN(C(=O)CCCOc2ccc(S(C)(=O)=O)cc2)C[C@H](C)N1 154227407 DOWZYXVWMMSKQH-KBPBESRZSA-N 354.472 1.458 0 50 FDAA Cn1ccnc1[C@@H]1CCN(C(=O)Nc2ccn(Cc3ccncc3)n2)C1 371041135 CKNOYNGJTBZXOU-OAHLLOKOSA-N 351.414 2.081 0 50 FDAA Cc1nn(C)c(C)c1CC(=O)N1CC[C@@H](c2cc(O)nc(N(C)C)n2)C1 864840914 HNJIBFYHACYEFI-CYBMUJFWSA-N 358.446 1.157 0 50 FDAA CC[C@H]1CCCN1C(=O)C(=O)N1CCc2nnc(N3CCCC3)cc2C1 952893409 LXNVGJRXIFGJRO-HNNXBMFYSA-N 357.458 1.363 0 50 FDAA O=C1CCC[C@@H]2CN(C(=O)Cn3nc(C(F)(F)F)c4c3CCC4)C[C@H]2N1 1875297219 HIULIKGRGONCBM-ZYHUDNBSSA-N 370.375 1.518 0 50 FDAA O=C(N=c1ccn(-c2ncccc2Cl)[nH]1)[C@@H]1CCCS(=O)(=O)C1 1875266725 QAOUEECTIBHOGR-SNVBAGLBSA-N 354.819 1.106 0 50 FDAA O=C(c1cc2c(s1)CCOC2)N1CCC(c2nnc3n2CCNC3)CC1 1875253135 VLAOFEFKLGYJOB-UHFFFAOYSA-N 373.482 1.535 0 50 FDAA COC(=O)/C=C/CNC(=O)c1cc(O)nc2nn(CC(F)F)c(C)c12 1875312158 UYQROTCFIJVUAU-ONEGZZNKSA-N 354.313 1.169 0 50 FDAA CCn1nccc1C1CCN(C(=O)[C@@H]2Cn3c(C)nnc3CN2C)CC1 886078242 UBYOFGPXVDXLMO-INIZCTEOSA-N 357.462 1.023 0 50 FDAA O[C@H]1CCCN(c2ccnc(N3CC4(COc5ccccc5C4)C3)n2)C1 2100557408 RKRCFMODLWPMMK-INIZCTEOSA-N 352.438 1.879 0 50 FDAA CCn1cn[nH]c1=NC(=O)c1cccnc1Oc1ccccc1C(N)=O 2325721290 VUKCINFVGGVNBT-UHFFFAOYSA-N 352.354 1.258 0 50 FDAA O=C(Cc1cc(Cl)cc(Br)c1)N1CC2(CNCCO2)C1 2325801901 ZXTKGDIBRQJSAS-UHFFFAOYSA-N 359.651 1.846 0 50 FDAA COC[C@](CO)(NC(=O)Nc1cc(C(N)=O)ccc1F)c1ccccc1 2325850938 LLTKGBLNXYOZQK-SFHVURJKSA-N 361.373 1.580 0 50 FDAA O=C1CC[C@@H](N2Cc3ccc(NC(=O)c4ccco4)cc3C2=O)C(=O)N1 2325895759 IWPXWYYPTYTOAD-CYBMUJFWSA-N 353.334 1.293 0 50 FDAA N=c1nc(O)cc(N2CCC(NC(=O)c3ccc4ccccn34)CC2)[nH]1 2356149305 UDRCYTLEEXPXJO-UHFFFAOYSA-N 352.398 1.246 0 50 FDAA CSCC[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(=O)O 3881755 OQKPFTGTVANENL-AGIUHOORSA-N 365.455 1.183 0 50 FDAA biogenic Cc1ccc2c(c1)N(CC(=O)NC[C@H]1COc3ccccc3O1)C(=O)CO2 3907242 CYYJZBZSYYLUHL-AWEZNQCLSA-N 368.389 1.677 0 50 FDAA CCOCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(O)c(OCC)c1 4141184 NZQTXNAEVXVAHL-MRXNPFEDSA-N 364.398 1.999 0 50 FDAA COc1ccccc1CN(Cc1cccc(C)c1)C(=O)Cn1nnnc1N 55270121 UWKYDFIHGBMXEP-UHFFFAOYSA-N 366.425 1.801 0 50 FDAA O=C(c1ccco1)N1CCCN(c2nccc(N3CCC[C@@H](O)C3)n2)CC1 106243548 JVJQPAYQWFRMDQ-OAHLLOKOSA-N 371.441 1.383 0 50 FDAA C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)S(=O)(=O)Cc1nnnn1C1CC1 247981775 HFGNMBLILDXKBI-NTZNESFSSA-N 355.464 1.006 0 50 FDAA CC1=C(C(=O)NCCSc2ccccn2)[C@H](c2[nH]cnc2C)NC(=O)N1 67459298 GKDWROHRKFGIDT-OAHLLOKOSA-N 372.454 1.650 0 50 FDAA CN(Cc1cnn(C)c1)S(=O)(=O)N1CCO[C@@H](c2ccccc2)C1 229899466 OWZXSDPHLMDDSZ-MRXNPFEDSA-N 350.444 1.170 0 50 FDAA CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NCC[C@H]2CCNC2)c1 171635658 LVPDDAXEBGELEI-SNVBAGLBSA-N 366.892 1.021 0 50 FDAA O=C1[C@@H]2[C@@H](CCCN2C(=O)C2=CCCCO2)C(=O)N1Cc1ccccc1 252510724 ZPCXDJAEKQPBQM-WBVHZDCISA-N 354.406 1.857 0 50 FDAA O=C(c1cc(COc2ccc3c(c2)OCO3)[nH]n1)N1CCN2CCC[C@@H]2C1 12299878 DBJCMJKRLSIXIK-CQSZACIVSA-N 370.409 1.638 0 50 FDAA O=C(NCC(=O)N1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O)NC1CCCCC1 408066359 XRXWACSUEFKGNN-ZACQAIPSSA-N 367.490 1.397 0 50 FDAA CCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)NCCNc1cccnc1 72411421 BZZBTTIRMMABQU-GOSISDBHSA-N 359.518 1.806 0 50 FDAA C[C@H](C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cccs1)n1cncn1 328626842 FMIXITCZORJRBB-RDBSUJKOSA-N 351.451 1.972 0 50 FDAA CCC[C@H](C)N1C[C@@H](C(=O)N2C[C@H](O)C[C@@H]2c2nc(C)no2)CC1=O 328610543 IJSQLMJZXKUNEO-SCUASFONSA-N 350.419 1.049 0 50 FDAA O=C(c1ccc2nc(O)c(O)nc2c1)N1CCC[C@H](CN2CCOCC2)C1 328701600 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UWOPBKQHSSSQOT-ZDUSSCGKSA-N 367.365 1.019 0 50 FDAA CN(C)C(=O)CNC(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 371566565 VSFQHVAYXFSDJK-UHFFFAOYSA-N 357.414 1.714 0 50 FDAA Cc1ccccc1CN1CCCN(C(=O)CN2CCC[C@H]2C(=O)O)CC1 237731628 RBHPWNNIPKRNQN-SFHVURJKSA-N 359.470 1.578 0 50 FDAA Cn1c(CN2CCCC2)nnc1C1CCN(C(=O)CCn2ccnc2)CC1 77299612 MWNHSHUWLITBQK-UHFFFAOYSA-N 371.489 1.404 0 50 FDAA Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCN(CC(C)C)C(=O)[C@@H]1C 77286910 BYQZQOFFUUOVEX-NSHDSACASA-N 362.883 1.259 0 50 FDAA CN(C)C[C@H]1CN(C(=O)NCc2cc(N(C)C)nc3ccccc23)CCO1 173660333 OQIKEIHCEFAVMW-INIZCTEOSA-N 371.485 1.773 0 50 FDAA CN(Cc1cccnc1)c1ncc(S(C)(=O)=O)c([C@H]2CCCNC2)n1 72454047 JATRWRXPOAGDQF-AWEZNQCLSA-N 361.471 1.379 0 50 FDAA Cc1cc(C)n(CC(=O)N(C)C[C@@H]2Cc3ccccc3CN2C)c(=O)n1 82091532 IRMQUAWIFHADAQ-SFHVURJKSA-N 354.454 1.375 0 50 FDAA COC(=O)[C@H]1CCN2C(=O)N(c3cc(F)c(OC)cc3C)C(=O)[C@H]2C1 286534637 SYQMDQJQDLSEEU-GXFFZTMASA-N 350.346 1.863 0 50 FDAA COCc1nc(NCCc2cn3ccsc3n2)cc([C@H]2CCOC2)n1 426545075 NCWIOEFSKLHSEI-LBPRGKRZSA-N 359.455 2.491 0 50 FDAA COc1cccc(CN2CCN(C(=O)c3ccn(C(F)F)n3)CC2=O)c1 85532786 OISMHZVEWOVAGH-UHFFFAOYSA-N 364.352 1.771 0 50 FDAA CN(C)C[C@@]1(O)CCN(C(=O)c2ccc(-c3cc(C(=O)O)ccn3)cc2)C1 426510519 XDUMJXQFGRKGHX-FQEVSTJZSA-N 369.421 1.585 0 50 FDAA CCC[C@@H]1CN(C(=O)COc2ccc(C)c(C)c2)C[C@H]1NS(C)(=O)=O 82096689 UCTTZDSHRRWLSR-NVXWUHKLSA-N 368.499 1.859 0 50 FDAA Cc1cccc(-n2nnnc2S[C@H](C)C(=O)N(C)CCc2ncon2)c1 426597301 WEULKGWXFBRYIW-GFCCVEGCSA-N 373.442 1.535 0 50 FDAA CCCN1C(=O)N[C@@H](CC(=O)N2CCc3ccc(OC)cc3CC2)C1=O 95377326 CHWBNFKIOHDUMI-INIZCTEOSA-N 359.426 1.343 0 50 FDAA CN1C[C@@]2(CCCN(C(=O)Cn3sc4ccccc4c3=O)C2)OC1=O 95506609 YCIOBCSIELVAFX-QGZVFWFLSA-N 361.423 1.506 0 50 FDAA Cc1nnnn1Cc1ccc(C(=O)N2CCC3(CC2)CN(C)C(=O)O3)cc1 426693845 SRAYNIVYKWUIJL-UHFFFAOYSA-N 370.413 1.087 0 50 FDAA CC(C)CN1CCc2[nH]cnc2C12CCN(C(=O)c1cnccn1)CC2 91505861 NWMJFQZXBPSRSN-UHFFFAOYSA-N 354.458 1.845 0 50 FDAA COc1ccc(C(=O)C2CCN(C(=O)c3cnc(O)n(C)c3=O)CC2)cc1 267675445 KWEUXKZJKXJBKT-UHFFFAOYSA-N 371.393 1.230 0 50 FDAA Cc1ccc(CSc2nc(N)cc(N3CCC(O)(CO)CC3)n2)cc1 95383618 ODNLMAFNPKYULW-UHFFFAOYSA-N 360.483 1.983 0 50 FDAA CCCCOC(=O)N1CCN(C)[C@]2(CCC(=O)N(CCOC)CC2)C1 91792826 ARWWZTKNDOHNGO-SFHVURJKSA-N 355.479 1.568 0 50 FDAA Cc1nnsc1CN1CCC(c2nnc(Cn3cccn3)n2C)CC1 96160638 VBCXSSZTXLUZAW-UHFFFAOYSA-N 358.475 1.599 0 50 FDAA O=C(NC[C@@H](CO)Cc1ccsc1)c1cccc(N2CCNC2=O)c1 96133158 YNPCKMYUAGJRTK-AWEZNQCLSA-N 359.451 1.859 0 50 FDAA C[C@H]1CN(C[C@@H]2CN(C(=O)c3ccc(Cl)o3)C[C@@H]2CO)C[C@@H](C)O1 91411714 ZAXTZFPSDDRMEF-XJFOESAGSA-N 356.850 1.723 0 50 FDAA O=C(O)CN1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 95526632 ZVRRYJJGWNRHPD-IBGZPJMESA-N 373.497 1.908 0 50 FDAA Cc1nc2cc(C(=O)NCC[C@@H]3CCC(=O)N3CCN(C)C)ccc2[nH]1 97551363 QDDRTTAERCKPCD-HNNXBMFYSA-N 357.458 1.544 0 50 FDAA CN(Cc1cc(-c2ccccc2)no1)C(=O)CN1C[C@@H]2CC[C@H](CC1=O)N2 95512611 WDDMBYAYTWPAEG-CVEARBPZSA-N 368.437 1.653 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)/C=C/c2ccccc2)CN1C1CCOCC1 96139605 OVAJLPOKEFARDO-ZERCDLRSSA-N 371.481 1.574 0 50 FDAA Cc1ccc(CN2CCN(c3cc([C@H]4C[C@@H](N)C4)ncn3)CC2=O)cc1 244858450 VLEUXYXKYJSYTF-CALCHBBNSA-N 351.454 1.839 0 50 FDAA Cc1nc(C)c(C(=O)N[C@H]2C[C@H](c3nnc(Cn4ccnc4)n3C)C2)s1 243892993 ANHZDDULLHRLAX-JOCQHMNTSA-N 371.470 1.809 0 50 FDAA O[C@H]1C[C@@H](c2cc(N3CCN(CCOc4ccccc4)CC3)ncn2)C1 244874478 XBZDBEBKMLRLOK-CALCHBBNSA-N 354.454 1.916 0 50 FDAA CNC(=O)Cn1cc(-c2ccc(C(=O)N3CCN(C(C)C)CC3)cc2)cn1 534661103 HXLDJIFUIRPIAB-UHFFFAOYSA-N 369.469 1.462 0 50 FDAA O=C(c1cccc(-c2ccccn2)c1)N1CCN(CCn2cncn2)CC1 299794770 LLDRSVBQGRMXDV-UHFFFAOYSA-N 362.437 1.798 0 50 FDAA CCNC(=O)[C@@H]1CCCN1C(=O)c1cccc(C2=CCCS2(=O)=O)c1 299789611 YPGOOARMNSEEKS-HNNXBMFYSA-N 362.451 1.587 0 50 FDAA CC(=O)c1ncc(C(=O)N2CCC([C@H](C)N3CCN(C)CC3)CC2)s1 952974510 ZHPDJYNJTZEOTJ-ZDUSSCGKSA-N 364.515 1.834 0 50 FDAA O=C(N[C@H]1CCOC[C@@H]1OCc1ccccn1)c1nnc2n1CCCC2 1565526081 LKTHVPLBURRTHS-GJZGRUSLSA-N 357.414 1.114 0 50 FDAA Cc1noc(C)c1CO[C@H]1COCC[C@@H]1Nc1cncc(CN(C)C)n1 1565514152 VGUCMKJNOVJQCP-IRXDYDNUSA-N 361.446 1.929 0 50 FDAA COc1ncccc1CN1CC[C@]2(O)CCN(C(=O)C3CCC3)C[C@@H]2C1 1565509846 BKGSBRHQUYETSV-PXNSSMCTSA-N 359.470 1.676 0 50 FDAA C[C@H]1CCC(=O)N1c1cccc(NC(=O)[C@@H]2CCCN(CC(N)=O)C2)c1 952978219 PVRCJWCAVYLMLF-UONOGXRCSA-N 358.442 1.338 0 50 FDAA O=C(NCc1ccc(F)c(F)c1)N1CCN(c2cncc3ncnn23)CC1 276549435 RZPRGTDDWWSYQH-UHFFFAOYSA-N 373.367 1.434 0 50 FDAA Cc1cc(CC(=O)N2CCCN(Cc3cn4ccccc4n3)CC2)on1 1529173595 ZDULGWFFIQJHIT-UHFFFAOYSA-N 353.426 1.908 0 50 FDAA COc1ccc(-c2onc(N3CCCC3)c2C(=O)NCCNC(C)=O)cc1 1704325844 UKUIJFIFRSJVAC-UHFFFAOYSA-N 372.425 1.816 0 50 FDAA O=C(CCS(=O)(=O)c1ccccc1)N[C@H]1COC[C@H]1Cc1ccncc1 1616081831 VNOHNYOHCIYCJW-AEFFLSMTSA-N 374.462 1.619 0 50 FDAA O=S(=O)(N[C@H]1COC[C@H]1Cc1ccncc1)c1ccc(-c2cc[nH]n2)o1 1704325895 WMRBDGFWAXGZQD-HIFRSBDPSA-N 374.422 1.601 0 50 FDAA CCc1nccn1CC(=O)N1CC[C@H]2[C@H](CCC(=O)N2CCCOC)C1 213354208 ASWCGBVSGVPGSZ-CVEARBPZSA-N 362.474 1.322 0 50 FDAA CCCN1C(=O)CC[C@@H]2CN(C(=O)c3n[nH]c4c3CN(C)CC4)CC[C@@H]21 215533596 FJEMEFKHANABES-CJNGLKHVSA-N 359.474 1.261 0 50 FDAA O=C1CC[C@@H](C(=O)N2CCCN(Cc3cncn3C3CCCCC3)CC2)N1 1772806091 YZYSLCPRQSHITG-SFHVURJKSA-N 373.501 1.701 0 50 FDAA CCOc1cc(C(=O)NN2CCN(C)CC2)cc(OCC)c1OCC 5006117 DGVPLORNKJXQCC-UHFFFAOYSA-N 351.447 1.775 0 50 FDAA Cn1ccnc1CNC[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O 11664137 OQFQJTQDNWHRMN-SFHVURJKSA-N 364.396 1.342 0 50 FDAA CC(=O)Nc1c(O)nc(SCC(=O)N[C@H](C)c2ccccc2)[nH]c1=O 12383860 CTCJHNLSCJYZHW-SECBINFHSA-N 362.411 1.403 0 50 FDAA Nc1nc(CCC(=O)N[C@@H]2CC(=O)N(C3Cc4ccccc4C3)C2)cs1 12449165 OYJMAPLAWNJINL-OAHLLOKOSA-N 370.478 1.542 0 50 FDAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(C)ccc2O)cc1 16623602 MIEHUCBBUDIMGT-UHFFFAOYSA-N 364.423 1.968 0 50 FDAA O=C([C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1)N1CCOCC1 1857673493 JRXMXMBGESLRHO-CQSZACIVSA-N 372.450 1.341 0 50 FDAA COCCNC(=O)[C@@]12CCCCN1C[C@@H](NC(=O)c1cccc(F)c1)C2 1857683950 SKLHEJXQLAZOSP-LPHOPBHVSA-N 363.433 1.315 0 50 FDAA O=C1C[C@@H]2CN(Cc3cccc(OCCCN4CCOCC4)c3)C[C@@H]2CN1 1857684725 ASTWNXSSQZDKKV-MOPGFXCFSA-N 373.497 1.356 0 50 FDAA CN1C(=O)CCO[C@H]2CN(C(=O)CCCc3c[nH]c4ccccc34)C[C@@H]21 1857697058 SUDWLLZNSCHOPK-ROUUACIJSA-N 355.438 1.949 0 50 FDAA COC(=O)CCCC(=O)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857709712 NBVDWKJWYJLMPG-QINHECLXSA-N 372.421 1.631 0 50 FDAA CCOc1ccccc1NC(=O)N1C[C@H]2[C@H](N(C)C)CS(=O)(=O)[C@H]2C1 1857712096 QZSXYEAJNNHTMV-BJJXKVORSA-N 367.471 1.276 0 50 FDAA CC(=O)N1CCC(CCC(=O)N2CCC[C@@](O)(C(F)(F)F)C2)CC1 408309175 XJHXGZPUIAJHPU-HNNXBMFYSA-N 350.381 1.941 0 50 FDAA CN(CC(=O)O)C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O 237151514 OSTCFSAAOWZECY-VIFPVBQESA-N 355.188 1.345 0 50 FDAA Cc1nc2nc(NC(=O)c3cccc(Cn4cccn4)c3)[nH]n2c(=O)c1C 1875243178 UTKYGOXONCLQQG-UHFFFAOYSA-N 363.381 1.532 0 50 FDAA CC(C)(CNC(=O)[C@H]1CCC(=O)N(C2CCCC2)C1)N1CCOCC1 19720615 XCSJNPPAGATFGT-HNNXBMFYSA-N 351.491 1.395 0 50 FDAA O=C(NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)c1cc[nH]c(=O)c1 152032235 BXDDHKDZXHMCSY-UHFFFAOYSA-N 374.828 1.107 0 50 FDAA CN(C[C@H]1OCC[C@H]1c1nc[nH]n1)C(=O)Cc1cc2ccccc2n1C 952888424 IIYNWSFEDJRYBX-NVXWUHKLSA-N 353.426 1.870 0 50 FDAA CN(C)Cc1cnn2c1CN(C(=O)[C@@H]1C[C@H](O)c3ccccc3O1)CC2 952887182 ZEUHRAKKXMPCEC-WMZOPIPTSA-N 356.426 1.172 0 50 FDAA N=c1nc(N2CCC(OC[C@H]3CCOC3)CC2)[nH]c(=Nc2ccccc2)[nH]1 1875273528 GVNZNUQTPCBKRP-AWEZNQCLSA-N 370.457 1.472 0 50 FDAA COCc1nnc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)s1 1875297244 IFPAEEKXXVQBPQ-KBPBESRZSA-N 362.411 1.222 0 50 FDAA CCOc1ccc2c(c1)CCN(c1ncnc3c1ncn3C[C@@H](O)CO)C2 1875269063 BLBUPEZWNQIWRO-OAHLLOKOSA-N 369.425 1.141 0 50 FDAA Cc1[nH]nc(C(=O)N2CC3(CN(C)C[C@H]3c3ccnc(N(C)C)n3)C2)c1C 1875395663 IHTUCJXMYIFMRX-AWEZNQCLSA-N 369.473 1.054 0 50 FDAA C=CC(=O)N(C)c1ccc(C(=O)N2[C@H](C(=O)N(C)C)C[C@@H]3OCC[C@@H]32)cc1 1875379167 NWGLDSUZBKHHNG-ULQDDVLXSA-N 371.437 1.296 0 50 FDAA O=C(NC1CCC2(CC1)CN(C(=O)c1cnc[nH]1)CCO2)[C@H]1CC12CC2 1875404959 FTWDDTBHTYSLGM-SHYRYGCCSA-N 358.442 1.480 0 50 FDAA Cc1ccccc1[C@@H]1CN(C(=O)c2nn(C)c3c(=O)[nH]cnc23)CCO1 1875403298 SFCPSRHLVABBDE-ZDUSSCGKSA-N 353.382 1.179 0 50 FDAA CNC(=O)c1ccc(NC(=O)NCC(C)(C)c2ccc(OC)cc2)nn1 1310953147 OOYMXRVOJXXUKU-UHFFFAOYSA-N 357.414 1.944 0 50 FDAA Cc1ccc2c(c1)[C@@H](NC(=O)c1cc3c(c(S(N)(=O)=O)c1)CCC3)CO2 1319734691 VGVXPOWOGZXAFA-INIZCTEOSA-N 372.446 1.995 0 50 FDAA Cc1oc(-c2ccccc2)nc1CC(=O)N1CCO[C@H](c2nnnn2C)C1 2100483053 OVRVOYXWMJMEGF-HNNXBMFYSA-N 368.397 1.316 0 50 FDAA CC(C)CN(C)C(=O)c1cccc(C(=O)N2CC[C@@]3(CCC(=O)N3)C2)n1 2325781780 KHYJJZCGNDACCC-IBGZPJMESA-N 358.442 1.304 0 50 FDAA Cn1cc([C@H]2C[C@H](C(=O)O)CN(S(=O)(=O)c3ccc(F)s3)C2)cn1 2325787354 VFJFKELYTJALFM-UWVGGRQHSA-N 373.431 1.500 0 50 FDAA CNC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1S(=O)(=O)c1cnn(-c2ccccc2)c1 2325853900 GNDZBWQCYVEFCY-BJJXKVORSA-N 360.439 1.160 0 50 FDAA O=C(NCC(=O)N1CCc2ccccc21)N[C@H]1CCCN2CCSC[C@H]12 916120989 FJJNDQCQRCKTGE-DOTOQJQBSA-N 374.510 1.455 0 50 FDAA O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)NC[C@@H]1CCCO1 664755 OAIKXDQHYPFQEY-HNNXBMFYSA-N 368.455 1.145 0 50 FDAA CCC[C@@]1(C(=O)O)CN(Cc2cc(OC)c3c(c2)OCO3)CC[C@@H]1O 2356156203 WKUJDCADLPOGMN-MAUKXSAKSA-N 351.399 1.862 0 50 FDAA CCC[C@@]1(CO)CN(CC(=O)NCCc2cccc(Cl)c2)CC[C@H]1O 2356156674 MDZRFFYSAZFXGK-MJGOQNOKSA-N 368.905 1.844 0 50 FDAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3ccc4c(=O)n(C)cnc4c3)C[C@H]21 2356164279 NCWBZRDEQNFIAF-NBQZKYEYSA-N 355.438 1.947 0 50 FDAA CN1CCC(n2nc(CC(N)=O)nc2-c2ccc3cccc(F)c3n2)CC1 2356166236 XXSBYNKMWUIELE-UHFFFAOYSA-N 368.416 1.927 0 50 FDAA CS(=O)(=O)N1CCC[C@@H](CNC(=O)CCN2CCCCCCC2)C1 55183321 FUXNTYMCMJFMPN-INIZCTEOSA-N 359.536 1.430 0 50 FDAA Cc1ncc(CN2CCN(C(=O)c3ccc4c(c3)OCC(=O)N4)CC2)s1 110942111 JJNSJKIAGMQDPO-UHFFFAOYSA-N 372.450 1.740 0 50 FDAA CC(=O)O[C@H]1CC[C@@]2(NC(=O)c3ccccc3)CS[C@H]1[C@@H]2OC(C)=O 102816043 FDCYHZVWHZRHER-UIBIWLFHSA-N 363.435 1.928 0 50 FDAA biogenic NC(=O)C1CCN(c2nc3nccc(-c4cccnc4)c3c(=O)[nH]2)CC1 57531108 YDSYYVPRKPTENU-UHFFFAOYSA-N 350.382 1.082 0 50 FDAA Cc1cc(C(=O)N2CCN(C(=O)c3nc[nH]n3)CC2)c2cccc(C)c2n1 55227910 COKMDQRMHPFVOK-UHFFFAOYSA-N 364.409 1.568 0 50 FDAA O=C(NC[C@H](c1cccnc1)N1CCCC1)c1cc2n(n1)CCCNC2 65526372 NNWZPIRAEXQCSJ-GOSISDBHSA-N 354.458 1.338 0 50 FDAA Cc1noc(C)c1CNS(=O)(=O)c1sc2c(c1C(=O)O)CCNC2 67740415 FXTKABZNKLYUOM-UHFFFAOYSA-N 371.440 1.175 0 50 FDAA CC(=O)NC1CCN(Cc2cccc(C(=O)Nc3ncns3)c2)CC1 67805838 MSMWMUNVOZCUSB-UHFFFAOYSA-N 359.455 1.891 0 50 FDAA O=C1CC[C@H](NC(=O)c2cc3cc(Br)ccc3o2)C(=O)N1 152185331 XMOLFFQMHGZEOE-VIFPVBQESA-N 351.156 1.730 0 50 FDAA CC(C)NC(=O)c1cn(C2CCN(c3cc(NC(C)C)ncn3)CC2)nn1 67755316 JBNRTNGBJFXAEF-UHFFFAOYSA-N 372.477 1.868 0 50 FDAA Cc1nc(N2CCCC2)ncc1-c1cc(=O)[nH]c(NC[C@@H]2CCCO2)n1 39383745 MSBQGKLTUXNQLB-ZDUSSCGKSA-N 356.430 1.726 0 50 FDAA CN1CCC(N2CCN(C(=O)c3cccc(N4CCOCC4)c3)CC2)CC1 215695147 OQILDLJOGXKYTA-UHFFFAOYSA-N 372.513 1.375 0 50 FDAA CCN1CCC[C@@H](CN(C)C(=O)Nc2ccn(C)n2)[C@@H]1c1cnn(C)c1 328617443 CTOJAIKHINRYII-WMLDXEAASA-N 359.478 2.091 0 50 FDAA O=C(NC1CCN(C(=O)N2CCOCC2)CC1)c1ccc2ccccc2n1 215058134 NMTCCJBIEZDGFF-UHFFFAOYSA-N 368.437 1.881 0 50 FDAA CCCCCN1C[C@H]2CN(C(=O)Cc3c(C)n[nH]c3C)C[C@@]2(C(=O)O)C1 215471573 YKDZSIUNHRGAGL-KXBFYZLASA-N 362.474 1.604 0 50 FDAA Cc1ccc(S(=O)(=O)N[C@@H]2CCN(c3ccccc3)C2)cc1C(N)=O 365168547 NXTAXSALKHNERN-CQSZACIVSA-N 359.451 1.651 0 50 FDAA CCCNS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 331681847 QBLRTFPKONKMMM-ZDUSSCGKSA-N 358.464 1.735 0 50 FDAA CCn1c(CCNC(=O)C[C@@H]2C(=O)NCCN2C(C)C)nc2ccccc21 72167128 QGROLKDRENFDOQ-QGZVFWFLSA-N 371.485 1.314 0 50 FDAA Cc1cc(N2CCC(C(=O)O)(n3ccc(C(C)(C)C)n3)CC2)nc(N)n1 72470074 MCPHLUPBJSXPED-UHFFFAOYSA-N 358.446 1.942 0 50 FDAA CCCOC(=O)NC[C@]1(O)CCCN(C(=O)c2cnc3ccccn23)CC1 72124220 GAYSKAIWZIUCNK-IBGZPJMESA-N 374.441 1.828 0 50 FDAA CN(C)CCN1C[C@H](C(=O)NC2CCN(c3ccccc3)CC2)CC1=O 74227476 OMTRVAANUYXLKV-MRXNPFEDSA-N 358.486 1.182 0 50 FDAA Cc1c[nH]c(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]cn3)C2)n1 72421270 OJGXVHWCLTZZIB-DZGCQCFKSA-N 356.430 1.137 0 50 FDAA COCCNC(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NC(C)(C)C)CO2 71764499 YOJMKKRPXBGSRF-AWEZNQCLSA-N 363.458 1.565 0 50 FDAA Cc1ccsc1CN(CCO)C(=O)c1ccc2c(=O)n(C)cnc2c1 216093109 SYTDMPKNSGRCSQ-UHFFFAOYSA-N 357.435 1.938 0 50 FDAA CN(C)C(=O)c1cncc(N[C@@H]2CCOC[C@H]2OCc2cscn2)n1 218986183 DQZVTGZKJZPOGD-TZMCWYRMSA-N 363.443 1.421 0 50 FDAA Cc1c(C(=O)N2CCN(C)C3(CCN(C)CC3)C2)cnn1-c1ccccn1 71315079 QQUMRDJRTNOIMM-UHFFFAOYSA-N 368.485 1.428 0 50 FDAA C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)n1nnc2ccccc2c1=O 44450505 FOEQKEKGMNNFCJ-AWEZNQCLSA-N 364.409 1.096 0 50 FDAA COc1ccc([C@@H](NC(=O)c2ccc3[nH]nnc3c2)[C@H]2C[C@H](O)C2)cn1 223667034 YULJKTRHETZLOV-IIYDPXPESA-N 353.382 1.604 0 50 FDAA Cc1ccc(CN2CCN(C(=O)NCCN3CCOCC3)[C@@H](C)C2=O)cc1 426544704 IDECVAUNNRDNRI-KRWDZBQOSA-N 374.485 1.070 0 50 FDAA Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n(C)n1 43433404 YLOAIOBEPTVJBX-UHFFFAOYSA-N 363.443 1.267 0 50 FDAA CN(C)C(=O)N1CCn2nc(CNc3nccc(C(F)(F)F)n3)cc2C1 82125654 CVGJNLOAVLEMRS-UHFFFAOYSA-N 369.351 1.801 0 50 FDAA O=C(NCc1ccon1)N1CCN(c2nnc(C(F)(F)F)s2)CC1 426563453 NPERCXRZHRZOHE-UHFFFAOYSA-N 362.337 1.577 0 50 FDAA O=C(CN1CCc2ccccc2C1=O)N[C@@H]1CCCN(CC(F)(F)F)C1 293544692 DHGAQMSSVQKWSC-CQSZACIVSA-N 369.387 1.828 0 50 FDAA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 239121153 JJZSZXFHCWNAEX-ARFHVFGLSA-N 364.442 1.283 0 50 FDAA O=C(NC[C@@H]1CCCN(c2ncccn2)C1)c1cc2c([nH]c1=O)CCCC2 91767625 LVQSNODUJYBHSF-AWEZNQCLSA-N 367.453 1.690 0 50 FDAA CN1CCN(S(=O)(=O)N2CCC[C@@H](c3ccc(C(=O)O)cc3)C2)CC1 95380223 QCUCAOLRQDVCCK-MRXNPFEDSA-N 367.471 1.056 0 50 FDAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@H]2[C@]2(Br)C=C[C@@H]12 230121958 YRQQPLLKJDBYHM-QCQGSNGOSA-N 358.195 1.786 0 50 FDAA NC(=O)c1cccnc1N1CCN(C[C@@H]2CCOc3ccccc3C2)CC1 95500823 FEVFIELIPCOKBB-MRXNPFEDSA-N 366.465 1.944 0 50 FDAA Cc1n[nH]c(C)c1[C@H](N)C(=O)NCCc1nccc(-c2ccccc2)n1 91616918 RYCYBXLCVXUBPS-SFHVURJKSA-N 350.426 1.842 0 50 FDAA Cc1ncncc1C(=O)N1CCC2(CCC(=O)N(CCCN(C)C)C2)CC1 91770678 UKDXWPWRCTWFSW-UHFFFAOYSA-N 373.501 1.582 0 50 FDAA COc1ccccc1CCC(=O)N1CCN(C)[C@]2(CCNC(=O)CC2)C1 92080778 JCWUMCZEUQQHIQ-HXUWFJFHSA-N 359.470 1.441 0 50 FDAA Cc1nc([C@@H]2CCCN(C(=O)c3ccc(Cn4ccnc4)o3)C2)cc(=O)[nH]1 91755157 WLSOVLFEMCHPDQ-CQSZACIVSA-N 367.409 1.936 0 50 FDAA Cc1ccccc1OC[C@H](O)C(=O)N1CCC2(CCC(=O)N(C)C2)CC1 91624688 WTSSAPMWUVHDHH-INIZCTEOSA-N 360.454 1.596 0 50 FDAA Cc1cc(C)cc(N2CCN(Cc3nnc([C@H]4C[C@H](N)C4)n3C)CC2=O)c1 244716045 LHHRVSLMJKOQNE-WKILWMFISA-N 368.485 1.485 0 50 FDAA Cc1ccc(N(CC(=O)NCc2cnc3ccccn23)S(C)(=O)=O)cc1 244724736 MZTNAZUUIAXEQI-UHFFFAOYSA-N 372.450 1.725 0 50 FDAA CCNC(=O)CN1CCCN(C(=O)c2ccccc2OC(F)(F)F)CC1 180773261 XJBMKRMWZGNFDT-UHFFFAOYSA-N 373.375 1.869 0 50 FDAA COCc1nc(O)cc([C@H]2C[C@@H](Nc3ncccc3C(=O)N(C)C)C2)n1 253535006 CQSGPYVDWDIVKX-TXEJJXNPSA-N 357.414 1.784 0 50 FDAA COc1ccc(N2C[C@@H](C(=O)N(C)C[C@@H](C)C(=O)O)CC2=O)cc1OC 299748863 IMPBDHPCNBIDPF-NEPJUHHUSA-N 364.398 1.236 0 50 FDAA O=C(c1cccnc1)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 263618978 WJBKMAKAYYZYBN-UHFFFAOYSA-N 362.437 1.966 0 50 FDAA CN(CCC(=O)N1CCC(c2ccncc2)CC1)[C@H]1CCS(=O)(=O)C1 299781492 VCFMFKONWOYIFY-KRWDZBQOSA-N 365.499 1.297 0 50 FDAA O=C(CCCc1nc(-c2ccco2)no1)N1CCN(c2nc[nH]n2)CC1 299786830 QXDORNRELUKOIL-UHFFFAOYSA-N 357.374 1.119 0 50 FDAA COc1ccc(S(=O)(=O)N2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)cc1F 299776277 MRVAGYOJTLXWMG-XFBWCDHKSA-N 359.419 1.527 0 50 FDAA CCOC(=O)N1CCC(N[C@@H]2CCN(Cc3cscn3)C[C@H]2O)CC1 299803038 UYWYBLCDJVRNFB-HZPDHXFCSA-N 368.503 1.289 0 50 FDAA COc1ccc(OCCNC(=O)C2CCC(Cn3cnnn3)CC2)cc1 299754425 NFXHDGUSRUCMFG-UHFFFAOYSA-N 359.430 1.683 0 50 FDAA C[C@H]1CN(CC(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)C[C@@H](C)O1 299785459 RKLCZRSXYAHLGT-IYBDPMFKSA-N 374.485 1.908 0 50 FDAA CCCC[C@H]1C=CCN1C(=O)NCCN1CCN(c2ncccn2)CC1 670459511 ZUFRHLTVSRYZSR-KRWDZBQOSA-N 358.490 1.739 0 50 FDAA O=C(c1c[nH]c(=O)cn1)N1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2 1565507124 WXROZTUUSMXXPX-PBHICJAKSA-N 364.449 1.474 0 50 FDAA Cc1cc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(C(=O)O)cc2)nc(C)n1 1565509178 XOXKUUXDKAWPTQ-RDJZCZTQSA-N 371.393 1.758 0 50 FDAA CC(C)[C@H]1CN(Cc2ccc3c(c2)OCO3)C[C@@H]1NS(=O)(=O)N(C)C 1565509001 BVYGKESDEDZYFD-CABCVRRESA-N 369.487 1.268 0 50 FDAA CCNC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc3nc(O)cc(C)c3c2)C1 952987395 MJENFOOQRLFLGC-GFCCVEGCSA-N 363.439 1.396 0 50 FDAA Cc1noc([C@@]2(O)CCN(S(=O)(=O)c3ccc(C)c4ncccc34)C2)n1 275230377 DDNLNTPAQKPGJW-QGZVFWFLSA-N 374.422 1.517 0 50 FDAA Cc1cc(C(=O)N2CC[C@H](CN(C)Cc3scnc3C)C2)nc(O)n1 276044983 SLFKMGQFSGGOGH-CYBMUJFWSA-N 361.471 1.850 0 50 FDAA CCN(C(=O)C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(Cc2ccccc2)C1 186304653 HREICAWNQORRKY-ZWKOTPCHSA-N 364.511 1.934 0 50 FDAA CC(=O)Nc1nc(C(=O)N2CCN(c3cc(C4CC4)n[nH]3)CC2)cs1 188080760 LKSXCGATMKWFCE-UHFFFAOYSA-N 360.443 1.664 0 50 FDAA O=C(CCN1CCCC1=O)N[C@H]1COC[C@@H]1Cc1ccnc2ccccc12 1616069429 HSPBNLPQCSTHIS-LPHOPBHVSA-N 367.449 1.921 0 50 FDAA CCn1cc(C(=O)N[C@H]2CC=CC[C@@H]2C(N)=O)c(=O)c2ccc(C)nc21 1616116336 VTOJMQVEYCWKQF-WFASDCNBSA-N 354.410 1.275 0 50 FDAA OCCN1CCN(C2CCN(Cc3noc(-c4ccccc4)n3)CC2)CC1 1529171799 CCTQYUXFHZGOSM-UHFFFAOYSA-N 371.485 1.311 0 50 FDAA COc1cc(F)c(C(=O)N2CC[C@@]3(C(=O)O)CCCN(C)[C@@H]3C2)c(F)c1 1704303461 ZOPOKQIZPUVAFS-KDOFPFPSSA-N 368.380 1.985 0 50 FDAA CN1CCC[C@]2(CO)CCN(C(=O)c3cc(O)c4cccc(F)c4n3)C[C@@H]12 1704338716 YDZYIGOEVWHTSB-YLJYHZDGSA-N 373.428 1.998 0 50 FDAA NC(=O)c1ccc(OCCCN2CC(=O)N[C@@H](Cc3ccccc3)C2)cc1 1772704804 HUIFCEDJDSQZMX-SFHVURJKSA-N 367.449 1.598 0 50 FDAA COC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 5018581 GXDYGUQFNGTGCA-LBPRGKRZSA-N 358.435 1.378 0 50 FDAA O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)O)cc1C(=O)O)C2=O 5019934 BQDDXRACYUBOJG-UHFFFAOYSA-N 355.258 1.582 0 50 FDAA COC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 12383537 QXAWNFCBBXSFRP-CHWSQXEVSA-N 374.890 1.892 0 50 FDAA CCN1CCN(C(=O)CCc2nnc(Cc3cccc(C)c3)o2)[C@@H](C)C1=O 12713782 SZKMMPHPILZEHG-HNNXBMFYSA-N 370.453 1.981 0 50 FDAA COCC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)s1 12862665 GPPJZHIHWOJSHH-SNVBAGLBSA-N 362.411 1.652 0 50 FDAA C[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(Cl)c3Cl)CN2C1=O 14535190 OVMPMHJGPKCOKB-LAEOZQHASA-N 371.224 1.603 0 50 FDAA CC1=NCCN1S(=O)(=O)c1ccc(I)cc1 19943310 UGOCBOUOWGHQJY-UHFFFAOYSA-N 350.181 1.714 0 50 FDAA COc1ccccc1Cc1nc(-c2cnc3cccnn23)n(CCCO)n1 1857672266 FNJKOLCZHVQICW-UHFFFAOYSA-N 364.409 1.970 0 50 FDAA C[C@H](c1ccc2c(c1)OCCO2)N(C)C(=O)c1cc2n(n1)CCN(C)C2=O 1857709753 PKELKEQPCIGLAN-GFCCVEGCSA-N 370.409 1.573 0 50 FDAA CC(C)[C@@H]1CN2C[C@@H](NC(=O)c3[nH][nH]c(=N)c3-c3ccccc3)C[C@H]2CO1 1857735240 NWOXJYYLCYPYSI-JYJNAYRXSA-N 369.469 1.717 0 50 FDAA O=C(c1cnn2cc(CCO)cnc12)N1C[C@H]2CC[C@@H](C1)N(CC1CC1)C2 219934967 XGSGIMBQAMCBKP-IRXDYDNUSA-N 369.469 1.211 0 50 FDAA O=S(=O)(N[C@H](Cc1ccccc1)CN1CCOCC1)c1ccccc1 111364576 PDENWGPJRQGGRB-GOSISDBHSA-N 360.479 1.908 0 50 FDAA Cc1nnc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)CCO4)CCO2)o1 328615105 XQMCSPWWFQZFNR-AWEZNQCLSA-N 351.384 1.075 0 50 FDAA O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)c1cccn2c(O)nnc12 364701775 DBUPKXBRJCIRSE-SNVBAGLBSA-N 358.789 1.492 0 50 FDAA COCCOc1cccc(CN[C@@H]2CCC(=O)N[C@H]2c2ccnn2C)c1 487009223 HNORUGPFVZDHDT-VQIMIIECSA-N 358.442 1.555 0 50 FDAA NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)[C@@H](N)c2ccccc2)c1 262103904 DVLVNWAIDMKIBJ-ROUUACIJSA-N 352.438 1.775 0 50 FDAA CCOCC(=O)N1CCC2(CC1)OCC[C@@](C)(NC(=O)CC(C)C)[C@@H]2O 1704331967 VTOCZJZDOYVBOX-ZWKOTPCHSA-N 370.490 1.086 0 50 FDAA COc1ccccc1C1(C(=O)N(C)C[C@H]2OCC[C@H]2c2nc[nH]n2)CC1 952889249 VLIHJJRKHRQFAM-CZUORRHYSA-N 356.426 1.876 0 50 FDAA C[C@H]1CCC[C@H](NC(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)CC1 875242850 BTVFQLDWDVFRFY-IRXDYDNUSA-N 364.534 1.310 0 50 FDAA N=[S@]1(=O)CCC[C@@]2(CCCN2C(=O)c2cnc(C3CC3)nc2O)C1 1875289134 ULWPLLWDOUNSQA-FYSMJZIKSA-N 350.444 1.875 0 50 FDAA O=C1N[C@H]([C@@H](O)c2cccnc2)C(=O)N1c1cncc(Br)c1 1875387318 BRGQURHHQQKTTB-NEPJUHHUSA-N 363.171 1.398 0 50 FDAA CCC(=O)N1CC[C@@H]2C[C@@H](NC(=O)c3cnn4ccncc34)CC[C@H]2C1 1875356601 MRCVMFNBFKYRTI-ILXRZTDVSA-N 355.442 1.886 0 50 FDAA COc1ccc(F)c(C(=O)N[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)c1OC 1875400784 MEPQDVRISPZTLI-MRVWCRGKSA-N 363.389 1.609 0 50 FDAA CC(=O)NCc1cc(O[C@@H]2CCN(Cc3nnc(C(C)C)o3)C2)ccn1 886097180 ZAMCOHSHNHVIOU-MRXNPFEDSA-N 359.430 1.877 0 50 FDAA Cc1nonc1NC(=O)CSc1nnc2c3ccccc3n(C)c2n1 1076745 JXCZUIJLONBBPO-UHFFFAOYSA-N 355.383 1.939 0 50 FDAA Cc1cnc2ccccc2c1C(=O)NC[C@@H]1CC2(CCNCC2)C(=O)O1 2325768796 PFPSFQWRZXCKKN-AWEZNQCLSA-N 353.422 1.958 0 50 FDAA C=CC(=O)Nc1cccc(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)c1 866323301 LYTVTRBRKGLZHL-INIZCTEOSA-N 357.410 1.321 0 50 FDAA O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CC1 676435 VGTHCLKUKSPMSF-UHFFFAOYSA-N 353.469 1.694 0 50 FDAA NC(=O)C1CCN(C(=O)[C@@H]2CC(c3c(F)cccc3Cl)=NO2)CC1 814885 GWRAVMCYUNGSCX-ZDUSSCGKSA-N 353.781 1.696 0 50 FDAA CCOc1ccc(N(CC(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)cc1 854597 AWNXDSJOGPIPKS-HNNXBMFYSA-N 356.444 1.147 0 50 FDAA O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N1CCOCC1 1462381 FRYSCVSSUKEAGP-UHFFFAOYSA-N 366.483 1.869 0 50 FDAA COCCNC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 2817175 ROVFBNCNGCDDJY-UHFFFAOYSA-N 355.243 1.522 0 50 FDAA Cc1cc(C(=O)N2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)nn1C 2356168397 BFJKKNCTMBJQIQ-JXXFODFXSA-N 374.485 1.629 0 50 FDAA CCCCc1n[nH]c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1 4211023 WYQAGVGFMRRUEE-UHFFFAOYSA-N 369.472 1.526 0 50 FDAA CC(C)n1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3ccc(Cl)cc3)nnc12 10968158 UVFVDDPKWLHWAI-UHFFFAOYSA-N 372.816 1.983 0 50 FDAA CNC(=O)c1cccc(NC(=O)CCc2c(C)nc3ncnn3c2C)c1C 106174250 JFAGKJLUBAEQMR-UHFFFAOYSA-N 366.425 1.980 0 50 FDAA COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NC(C)C)C2=O)cc1OC 170625202 BKQSPISZAKKVJG-ZDUSSCGKSA-N 363.414 1.081 0 50 FDAA biogenic CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccccc2F)Oc2ccccc21 20491451 XCDCSGNAJIIZDY-HNNXBMFYSA-N 350.371 1.991 0 50 FDAA CN(C)CCN1C[C@@H](C(=O)N2CCC(c3cccc(O)c3)CC2)CC1=O 65406571 ITUHARLSBCHTGJ-KRWDZBQOSA-N 359.470 1.508 0 50 FDAA Cn1nc([C@@H]2CCCN(C(=O)C3CCOCC3)C2)n(-c2ccccc2)c1=O 67935236 XXSXVOKHIUUFDW-MRXNPFEDSA-N 370.453 1.704 0 50 FDAA COc1cccc2c1OCCCN(C(=O)Cc1c(C)nc(C)[nH]c1=O)C2 67769751 JFLZHCQOCBPUAP-UHFFFAOYSA-N 357.410 1.749 0 50 FDAA CO[C@H]1C[C@H](c2nc(C3CC3)no2)N(S(=O)(=O)c2cnc(C)[nH]2)C1 328620679 HHPAUTWSQOMGRW-WDEREUQCSA-N 353.404 1.129 0 50 FDAA Cc1cccc(C)c1OC1CN(C(=O)c2cn(C[C@@H]3CCCNC3)nn2)C1 67446607 UJUSWIOAZFJUQT-MRXNPFEDSA-N 369.469 1.798 0 50 FDAA Cn1cc(N2CCC[C@@H](N3CCC(Cc4nccn4C)CC3)C2=O)cn1 119239071 XNVVMWJTXMFKNM-QGZVFWFLSA-N 356.474 1.604 0 50 FDAA Cc1cc2c(cc1CN1CCc3nc(C)n(C)c(=O)c3CC1)OCCO2 65370567 IVTACFVHINQNTN-UHFFFAOYSA-N 355.438 1.769 0 50 FDAA CCn1c([C@@H]2CCCN(C(=O)CCC(=O)Nc3ccccc3)C2)n[nH]c1=O 67982675 CHONKHYATSZDRE-CQSZACIVSA-N 371.441 1.716 0 50 FDAA Cn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)Cn2ccc3ccccc32)cn1 328618698 DXVYBOGSNHNDOU-KRWDZBQOSA-N 372.450 1.373 0 50 FDAA O=C1CCCN1C[C@@H](O)CS(=O)(=O)c1cccc(C(F)(F)F)c1 1391335 MQNQOKNQXHGSNM-LLVKDONJSA-N 351.346 1.462 0 50 FDAA COc1ccc(CCN(Cc2ccccn2)C(=O)[C@H]2CNCCO2)cc1 215713941 XSEINPNEEWHKRK-LJQANCHMSA-N 355.438 1.650 0 50 FDAA CCN(C)C(=O)CN1CCC[C@H](c2cc(N3CCOCC3)nc(C)n2)C1 72476510 PMNADIQBRYSHMW-INIZCTEOSA-N 361.490 1.279 0 50 FDAA Cc1c(C(=O)N2CCN(c3ncnc4ccccc34)CC2)cnc2ccnn12 72422054 XALMZODPJYPRDX-UHFFFAOYSA-N 373.420 1.943 0 50 FDAA CCCCN1C[C@@]2(CCCN(C(=O)Cn3ccccc3=O)C2)CCC1=O 77319177 PXIGHUUAZPVKPV-HXUWFJFHSA-N 359.470 1.880 0 50 FDAA O=C1CCC[C@@H]1[C@@H]1COCCN1S(=O)(=O)c1cccc2cnccc12 329459024 ORBXNXJUSGOGNU-CVEARBPZSA-N 360.435 1.994 0 50 FDAA Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2ccn(C(C)C)n2)CC1 172334578 OYZLFSQYWNHBHX-UHFFFAOYSA-N 367.475 1.575 0 50 FDAA COc1ncc(CN2CCC[C@@H](c3n[nH]c(=O)n3-c3ccccc3)C2)cn1 71278567 PTOSWMBPNUYQPC-OAHLLOKOSA-N 366.425 1.739 0 50 FDAA CN(C)CCNC(=O)c1cn2cc(-c3ccccc3Cl)n(C)c(=O)c2n1 72418666 RBZYESWENFDFLG-UHFFFAOYSA-N 373.844 1.645 0 50 FDAA Cc1nn(C)cc1NC(=O)CN1CCC(=O)N(CC2CC2)[C@H](C(C)C)C1 71745886 BOGONPYCNKQGGI-KRWDZBQOSA-N 361.490 1.636 0 50 FDAA CN1C[C@H](C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)CC1=O 154128528 VGRLFAQGZZVUKZ-CYBMUJFWSA-N 351.397 1.524 0 50 FDAA O=C(C[C@H]1CSCCN1)N(Cc1nccs1)[C@H]1CC12CCNCC2 435573891 LTIPTDXHHASOAG-KBPBESRZSA-N 366.556 1.709 0 50 FDAA Cc1ncsc1CN(C)C[C@H]1CCN(S(=O)(=O)c2cnc[nH]2)C1 330182410 OYOLPZAEZDHNHV-GFCCVEGCSA-N 355.489 1.317 0 50 FDAA CN(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@H](c3nccn3C)C2)co1 369371037 SMXJNMGNELNZTJ-LBPRGKRZSA-N 366.443 1.283 0 50 FDAA COc1ccc(S(=O)(=O)N(C)CCC(=O)O)c(Br)c1 262428580 DIXKWSZLEGDBOD-UHFFFAOYSA-N 352.206 1.553 0 50 FDAA CN1CC2(CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)C[C@@H]1C(=O)O 72169997 CRAOITCFSHLHOH-CQSZACIVSA-N 360.410 1.469 0 50 FDAA CCN(C(=O)C1=NN(C)C(=O)CC1)[C@H](c1cccnc1)c1nccn1C 377599032 IXWPNKBIYPQCJR-MRXNPFEDSA-N 354.414 1.361 0 50 FDAA Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 332900879 VFYUBTMWKLUZIG-XUWVNRHRSA-N 360.458 1.993 0 50 FDAA CCN1CC2(CCN(C(=O)c3cnc(-c4cccnc4)nc3)CC2)OC1=O 77343139 XLNXTLZGOKBPDP-UHFFFAOYSA-N 367.409 1.986 0 50 FDAA CN(Cc1nc2ccccc2n1C)C(=O)c1cn(C2CCNCC2)nn1 237253517 YQDVAUCOFVZUCV-UHFFFAOYSA-N 353.430 1.362 0 50 FDAA O=C(NC1CCN(C[C@@H]2CCOC2)CC1)N1C[C@@]2(CCCO2)[C@H]1C1CC1 333795109 FDGLOHZINOCDMM-CVAIRZPRSA-N 363.502 1.840 0 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NS(=O)(=O)C[C@H]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)C1 426668407 QMTXVJKRVJPYTI-JTQLQIEISA-N 368.846 1.481 0 50 FDAA O=C(Cn1ccc([C@@H]2CCCNC2)n1)N1CCC(Cn2ccnc2)CC1 426504630 QUUYHMLQWBPNLF-QGZVFWFLSA-N 356.474 1.485 0 50 FDAA O=C(NCC1(N2CCOCC2)CCCC1)N1CC[C@](O)(c2ccccc2)C1 426491023 HMIQWIRFORJXTQ-OAQYLSRUSA-N 373.497 1.935 0 50 FDAA Cc1cccc([C@@H](C(=O)NCc2nc(-c3ncccn3)no2)N(C)C)c1 91820276 KGHBOYCHDWZSLD-HNNXBMFYSA-N 352.398 1.754 0 50 FDAA Cc1cnn(CC2CCN(C(=O)c3ccnc(-n4cnnc4)c3)CC2)c1 426582796 JDYVVUXBNPSKNE-UHFFFAOYSA-N 351.414 1.720 0 50 FDAA O=C1COc2ccc(S(=O)(=O)NC[C@H]3COc4ccccc4C3)cc2N1 91587316 UNIFRURTXKIWGZ-LBPRGKRZSA-N 374.418 1.547 0 50 FDAA O=C(NCc1nc(-c2ncccn2)no1)[C@H]1CCCN(C2CCCC2)C1 95375456 FKJMNGPVTCDMNE-ZDUSSCGKSA-N 356.430 1.797 0 50 FDAA Cc1nn(CCO)cc1CN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1)C2 91526786 WEOWFLPIUASXLA-YLJYHZDGSA-N 368.481 1.920 0 50 FDAA CCn1cc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc4c(c3)OCO4)C2)cn1 91434671 KGTBPVWBAJKAAX-UONOGXRCSA-N 357.366 1.572 0 50 FDAA Cc1ccccc1CSc1nc(N)cc(N2CCC[C@@](O)(CO)C2)n1 95386374 QITFZGVFIBWJIZ-SFHVURJKSA-N 360.483 1.983 0 50 FDAA CN(CCO)C[C@@H]1CN(C(=O)c2ccc3ccccc3c2O)C[C@@H]1CO 92039007 SQOPLSPHCRDZPD-HZPDHXFCSA-N 358.438 1.150 0 50 FDAA CN(Cc1noc2c1CCCC2)C(=O)CN1C(=O)COc2cccnc21 95528397 BBJHIUFLZJRQSS-UHFFFAOYSA-N 356.382 1.332 0 50 FDAA COc1c[nH]c(CN2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)cc1=O 91755307 NQAXBBHEFVHMEG-XJKSGUPXSA-N 360.483 1.936 0 50 FDAA Cc1nc(CN2CCN(Cc3cc(=O)c4cccc(F)c4[nH]3)CC2)no1 91644909 TTYKZIURWPNGDK-UHFFFAOYSA-N 357.389 1.676 0 50 FDAA CC(C)c1cc(C(=O)N2CCC(N3CCOC3=O)CC2)nc2ncnn12 91894791 VQRLLBGJNLWJIM-UHFFFAOYSA-N 358.402 1.305 0 50 FDAA Cc1c([C@@H](C)NC(=O)Cn2cccnc2=O)cnn1-c1ccc(F)cc1F 91550647 CZHDGVLKQJSAJZ-LLVKDONJSA-N 373.363 1.893 0 50 FDAA COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H](N)C[C@H]2C)c1 299740046 UZAXTVRTBOFEPF-NXEZZACHSA-N 363.277 1.958 0 50 FDAA N[C@H]1CC[C@@H](n2cc(C(=O)N3CCN[C@@H](c4ccccc4)C3)nn2)CC1 244659399 HBVQYAONORNJFD-IXDOHACOSA-N 354.458 1.507 0 50 FDAA CCc1cc(C(=O)N[C@H]2C[C@H](c3cc(N4CCOCC4)ncn3)C2)[nH]n1 244659578 HFDFXFAZGSHCEE-MQMHXKEQSA-N 356.430 1.275 0 50 FDAA CCc1nc(C(=O)N2CCOC[C@H]2C(=O)O)nn1-c1ccccc1Cl 299749539 KQIWWXYNOXHJBA-LBPRGKRZSA-N 364.789 1.409 0 50 FDAA COc1ccccc1CCNC(=O)CN1CCC[C@H](c2nc(C)n[nH]2)C1 244882753 XYILHQGLAIKJAH-INIZCTEOSA-N 357.458 1.660 0 50 FDAA COCCN1C(=O)N[C@@H]2CN(C(=O)Cc3cccc(F)c3F)CC[C@@H]21 299745799 SNBHMBKWWMUEAW-KGLIPLIRSA-N 353.369 1.148 0 50 FDAA CCn1nc(C(C)C)cc1C(=O)N[C@@H]1CCN(Cc2cccnc2)C[C@H]1O 252494884 OHKAYKYXADPCJS-VQIMIIECSA-N 371.485 1.787 0 50 FDAA CCOc1ccc2nc(N3CCCN(C[C@@H](O)CO)CC3)nc(C)c2c1 299779470 UFLJTJBEBZUMOV-OAHLLOKOSA-N 360.458 1.202 0 50 FDAA CS(=O)(=O)N1CCn2nc(CNC(=O)[C@@H]3CCc4ccccc43)cc2C1 299755095 BKVRJAGHQYAGTJ-QGZVFWFLSA-N 374.466 1.005 0 50 FDAA O=C1C[C@@H](c2ccccc2O)c2c(O)nc(N3CCSCC3)nc2N1 828323327 KABHWYZUPCHNMN-NSHDSACASA-N 358.423 1.915 0 50 FDAA Cc1cc(NC(=O)[C@H]2CC(=O)N(C)C2(C)C)ccc1NC(=O)CN(C)C 823676156 LBPWJHLXPUZXJV-CQSZACIVSA-N 360.458 1.691 0 50 FDAA c1ccc(C23CN4CCN(CC(C4)[C@@H]2NCCCn2cccn2)C3)cc1 952868439 OPQWBUXAWVOJRZ-CKHPTIKVSA-N 351.498 1.430 0 50 FDAA C[C@H](C(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2C)n1cnc2ccccc21 952973853 VJFZNFLYDVGFCL-CYBMUJFWSA-N 369.425 1.482 0 50 FDAA CC(C)Cc1nc(CN2CCC(CNC(=O)c3ccnnc3)CC2)no1 952984163 IMZTYTLLCWMQQT-UHFFFAOYSA-N 358.446 1.700 0 50 FDAA CCC[C@H]1CN(C(=O)c2csc(SC)n2)C[C@@H]1NS(C)(=O)=O 1565513414 KTRMTTKKZFBSHA-UWVGGRQHSA-N 363.530 1.655 0 50 FDAA O=C(O)[C@H]1CN(C(=O)c2cccnc2O)C[C@@H]1c1ccc2c(c1)OCO2 1565525548 YVFSZOLSQMNFNF-OLZOCXBDSA-N 356.334 1.456 0 50 FDAA O=C(N[C@H]1COCC[C@@H]1OCc1ccccn1)c1cnc2cccnn12 1565526593 FHUJOHRNDIWXSG-HOCLYGCPSA-N 353.382 1.228 0 50 FDAA O=C(N[C@H]1CCOC[C@@H]1Oc1ccc(CO)cc1)c1ccc2c(c1)OCO2 1565509283 LTJMFPJWRWODNQ-LPHOPBHVSA-N 371.389 1.874 0 50 FDAA Cn1cc(C(=O)NS(=O)(=O)C[C@H]2CCCOC2)c(C2CCCCC2)n1 408254773 OXQBJIGDXNXWLW-ZDUSSCGKSA-N 369.487 1.954 0 50 FDAA COC(=O)[C@H]1CCN2C(=O)N(c3ccc(-n4cccn4)cc3)C(=O)[C@H]2C1 277917685 CNTIMQAWLDLACT-SWLSCSKDSA-N 354.366 1.593 0 50 FDAA C/C=C/C[C@H](NS(=O)(=O)c1cnn([C@H]2CCOC2)c1)C(=O)OCC 170603590 XASYQXWJFVMEJJ-FLBZCCBISA-N 357.432 1.021 0 50 FDAA C[C@H]1CN(CCN(C)S(=O)(=O)c2ccc3c(c2)CCC3)C[C@@H](C)O1 194021144 VYXCWUCEIDGYSW-GASCZTMLSA-N 352.500 1.905 0 50 FDAA Cc1cc(C(F)(F)F)cc(N2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)n1 1616075031 XSVQDENNXYAHEB-PWSUYJOCSA-N 367.393 1.097 0 50 FDAA COc1ccc(CC(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)c(OC)c1 1529119235 FICKQNLGKICYAI-OWCLPIDISA-N 360.454 1.962 0 50 FDAA Cc1cc(=O)cc(C(=O)N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)o1 1704339887 OAFQPGPOCOXVLN-FQEVSTJZSA-N 368.437 1.924 0 50 FDAA COc1ccc(OC)c2c(C)cc(N3CCN(C(C)=O)C[C@@H](O)C3)nc12 1704337833 DQVFGNJWYFQRDS-CQSZACIVSA-N 359.426 1.590 0 50 FDAA Cn1ccnc1SCCNC(=O)c1cn(CCN2CCCCC2)nn1 12314457 AURHWTKPWDDRBF-UHFFFAOYSA-N 363.491 1.020 0 50 FDAA O[C@@H](COc1ccc2c(c1)OCO2)CN1CCN(c2ccccc2)CC1 19790699 MQCURSYDTLZRKH-QGZVFWFLSA-N 356.422 1.977 0 50 FDAA COC(=O)C1=CN(CC(=O)Nc2cccc(Cl)c2)S(=O)(=O)N=C1C 169771854 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CNC[C@H]1CCCN1S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl 237280833 LPXPBXHAGCTOMQ-SNVBAGLBSA-N 366.892 1.116 0 50 FDAA O=C(C1CCC1)N1CCN(Cc2cccs2)[C@@H]2CS(=O)(=O)C[C@@H]21 247797211 DDSDUKQIKGXBCT-CABCVRRESA-N 354.497 1.358 0 50 FDAA COC(=O)CCc1cncc(NC(=O)[C@H](N)CC(=O)c2cccs2)c1 952882425 VSUFHDJJECGUDX-CYBMUJFWSA-N 361.423 1.788 0 50 FDAA Cc1nccc(N[C@@H]2COCC[C@@H]2NC(=O)c2cc(N(C)C)ccn2)n1 952887920 WMMBPZZPBDSPIV-GOEBONIOSA-N 356.430 1.245 0 50 FDAA Cc1cc(Br)cnc1C(=O)N1CCc2c(O)nc(O)nc2C1 1875307530 PQIKFLJZCSPXES-UHFFFAOYSA-N 365.187 1.552 0 50 FDAA NS(=O)(=O)C[C@H]1CCCN(C(=O)[C@@H](c2ccc(F)cc2)C2CC2)C1 1875300760 PLADKCODFANTOP-BLLLJJGKSA-N 354.447 1.846 0 50 FDAA C=CC(=O)N(C)c1ccc(C(=O)N2CC3(CCOCC3)C[C@@H]2CO)cc1 1875373693 KVVQLVORPCDWBR-QGZVFWFLSA-N 358.438 1.839 0 50 FDAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1ccccc1-c1ncc[nH]1 1875400479 AXZOVLUZDMKINN-IAOVAPTHSA-N 351.410 1.843 0 50 FDAA O=C(N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O)c1cccc(-c2cc[nH]n2)c1 1875402188 BEJCBZSUJFSRBF-MORSLUCNSA-N 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1.229 0 50 FDAA CS(=O)(=O)N(CC(=O)NCCc1ccccc1)c1ccccc1F 4995578 JKPKLGBBICXKTK-UHFFFAOYSA-N 350.415 1.951 0 50 FDAA COCc1ncc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c(N)n1 225391808 TXACHGAINDPUHM-LLVKDONJSA-N 353.386 1.277 0 50 FDAA Cc1cc2[nH]cc(C(=O)NC3CCN(Cc4ccco4)CC3)c(=O)n2n1 102573594 HRZZRWYBGBFWFJ-UHFFFAOYSA-N 355.398 1.318 0 50 FDAA COc1ccccc1CNC(=O)Cn1nc(N2CCSCC2)ccc1=O 67630568 YEYLFYQNLOVOON-UHFFFAOYSA-N 374.466 1.122 0 50 FDAA COCCNC(=O)[C@H]1CCCN(C2CCN(Cc3nc[nH]c3C)CC2)C1 67694849 NCTKOLIKRSYTQS-INIZCTEOSA-N 363.506 1.157 0 50 FDAA NC(=O)C1CCN(C[C@]2(O)CCCN(CCCc3ccccc3)C2=O)CC1 67842997 IFBHWGQPGKESIS-OAQYLSRUSA-N 373.497 1.170 0 50 FDAA CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCCN(Cc2cccs2)CC1 116971225 QDUGFFLNSNREII-HNNXBMFYSA-N 371.528 1.206 0 50 FDAA Nc1nnc([C@@H](Nc2cc(N3CCOCC3)ncn2)c2ccccc2)s1 65372102 MCMDMDHUBBUOKT-HNNXBMFYSA-N 369.454 1.948 0 50 FDAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)NCCN(C)S(C)(=O)=O 67788531 BDACMGFJTCQZFT-UHFFFAOYSA-N 351.472 1.643 0 50 FDAA 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CN(C)C(=O)[C@H]1[C@H]2NC(=O)N(C)[C@@]1(C)Oc1ccc(Br)cc12 226931369 YOJMRKCJERXPOY-XUJVJEKNSA-N 368.231 1.958 0 50 FDAA C[C@H](C(=O)NCc1cc2n(n1)CCCNC2)c1n[nH]c(=O)c2ccccc12 82137143 UGXCMVQKZGFLFE-LBPRGKRZSA-N 366.425 1.033 0 50 FDAA CNS(=O)(=O)c1ccc(CCC(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 46493087 QVNZTZSZCMYKFC-IAGOWNOFSA-N 366.483 1.697 0 50 FDAA CC(=O)N1CCC(N(Cc2cncs2)S(=O)(=O)NC(C)C)CC1 291904509 JKUHMCDWDONGIP-UHFFFAOYSA-N 360.505 1.199 0 50 FDAA CC(C)Oc1cc(N2CCC[C@]3(CCC(=O)N(CCO)C3)C2)nc(N)n1 82099215 BDRGQEDBGGRDGO-SFHVURJKSA-N 363.462 1.047 0 50 FDAA CNC(=O)Cn1cc(NC(=O)Cc2nc(-c3ccccc3)oc2C)cn1 194355421 SSEAVMLMSZYZHF-UHFFFAOYSA-N 353.382 1.774 0 50 FDAA O=C(NCCc1nc2ccccc2o1)c1cn(C[C@H]2CCCNC2)nn1 426478887 JRYXEPODOHAAFM-ZDUSSCGKSA-N 354.414 1.391 0 50 FDAA C[C@H]1CN(C[C@@H]2CN(C(=O)CCc3cccnc3)C[C@@H]2CO)C[C@@H](C)O1 91452345 VARJHDRIBBDIBX-UKBAYJJMSA-N 361.486 1.190 0 50 FDAA CC(=O)c1ccccc1OC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239338826 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357.389 1.601 0 50 FDAA O=C(c1cc2ncc(Br)cn2n1)N1CCC2(CC1)OCCO2 1068562 ZIOPGSSCEWHKJM-UHFFFAOYSA-N 367.203 1.471 0 50 FDAA O=C1Nc2ccc(S(=O)(=O)N3C[C@H]4C(=O)OC[C@H]4C3)c3cccc1c23 2356134394 LGZQYVFSCLEPNT-BXKDBHETSA-N 358.375 1.199 0 50 FDAA CCC[C@]1(C(=O)O)CCN(C(=O)c2cc(=O)n(-c3ccccc3)[nH]2)C[C@@H]1O 2356135109 PUPSZURXQWQRIH-KXBFYZLASA-N 373.409 1.244 0 50 FDAA CC(C)C[C@@H]1[C@H](C(=O)N2CCc3ccccc3CC2)C[C@@H]2CNCC(=O)N21 2356138278 KSTZZYJHRNOGPW-VAMGGRTRSA-N 369.509 1.849 0 50 FDAA O=C(c1cccnc1C(F)(F)F)N1CCC2(CC1)C[C@@H](O)[C@@H](O)CO2 2356158487 MEBJZQAMOIYBBN-NEPJUHHUSA-N 360.332 1.217 0 50 FDAA COc1ccc(S(=O)(=O)N2C[C@H]3C(=O)OC[C@H]3C2)c2c1CCCC2 2356159381 YEPZMWDSZGVOBP-BXUZGUMPSA-N 351.424 1.368 0 50 FDAA O=C(NC[C@@H](O)c1cccc(O)n1)c1cnc(Nc2ccccc2)nc1 2356161129 HGNYDFMXETYYMR-OAHLLOKOSA-N 351.366 1.784 0 50 FDAA Cc1ccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccn2)cc1F 55244786 NOGAQLVGSMWVFN-SFHVURJKSA-N 370.428 1.536 0 50 FDAA CCN1CCN(C2(C(=O)NCCc3c[nH]cn3)Cc3ccccc3C2)CC1 20109597 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Cc1c(C)[n+]([O-])c([C@@H](c2cccnc2)C2C(=O)OC(C)(C)OC2=O)n1C 263587966 NQNHLIXIEHVHFO-ZDUSSCGKSA-N 359.382 1.255 0 50 FDAA O=C(C[C@H]1CCCN1C(=O)CCC(=O)N1CCOCC1)c1ccccc1 267997705 LZLULTSAKUKANU-QGZVFWFLSA-N 358.438 1.889 0 50 FDAA Cc1nc(CCNC(=O)N2CCN(CCCN(C)C)CC2)sc1Cl 534642973 FUSIUNUKQMMMLY-UHFFFAOYSA-N 373.954 1.926 0 50 FDAA CN1CCCN(CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)CC1 263715799 BKRKDIGSXMAFML-UHFFFAOYSA-N 364.921 1.622 0 50 FDAA O=C(c1cnccn1)N1CCCN(S(=O)(=O)c2cccs2)CC1 75042030 BRCOVRAQABJRCL-UHFFFAOYSA-N 352.441 1.075 0 50 FDAA COc1ccccc1CN1CCN(C(=O)c2cnc3cnn(C)c3c2)CC1 1940194846 WXKIJJXMCVRTAA-UHFFFAOYSA-N 365.437 1.935 0 50 FDAA O=C(N[C@H]1C[C@H](C(=O)NC2CCC2)C[C@@H]1O)c1ccc2ncsc2c1 1940196171 PRFMBFDEHUQOFV-CQDKDKBSSA-N 359.451 1.834 0 50 FDAA CC(C)(C)[C@@H](Cn1ccnc1)NC1CCN(C(=O)c2cnccn2)CC1 828202230 LLINGDQHBURZEX-QGZVFWFLSA-N 356.474 1.982 0 50 FDAA Cc1nc(CNC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cs1 670459265 ASWRNQUZAYSLMY-UHFFFAOYSA-N 365.436 1.303 0 50 FDAA CN1C(=O)[C@@H]2CN(C(=O)NCCCSCc3ccco3)C[C@@H]2C1=O 670440457 PWBUXHXONXRJCM-BETUJISGSA-N 351.428 1.159 0 50 FDAA CN(Cc1ncon1)C(=O)NC1CCN(C(=O)N2CCCCC2)CC1 670448378 BLWWDPJZXNXVLW-UHFFFAOYSA-N 350.423 1.281 0 50 FDAA CC1=C(C(=O)NCCCNS(=O)(=O)c2ccc(C)cc2)OCCO1 952982802 RXDXNKYCOSCCMG-UHFFFAOYSA-N 354.428 1.058 0 50 FDAA COCCN1CC[C@@H](CN(C)S(=O)(=O)c2ccc3oc(O)nc3c2)C1 952986370 HEYQELLRIBQPAV-LBPRGKRZSA-N 369.443 1.122 0 50 FDAA NC(=O)CN1CCC[C@H](C(=O)N[C@H](c2ccncc2)c2ccc(F)cc2)C1 952860343 MVQVBPOXTQXXOY-LPHOPBHVSA-N 370.428 1.624 0 50 FDAA Cc1nc(CN2CC[C@H](NC(=O)c3sc(C)nc3C)[C@@H](O)C2)cs1 1565515252 AQRZVAOHYNFAPB-KBPBESRZSA-N 366.512 1.890 0 50 FDAA CCCCc1ncc(CN2CC[C@H](NC(=O)c3ccccn3)[C@@H](O)C2)[nH]1 1565530569 RZBRQLYOTSWIMA-RDJZCZTQSA-N 357.458 1.513 0 50 FDAA O=C([C@H]1Cc2ccccc2O1)N1CCC[C@H](N2CCCS2(=O)=O)C1 279630383 XZNVQHLWEKJDGD-GOEBONIOSA-N 350.440 1.017 0 50 FDAA Cc1c(CC(=O)N(CCC(=O)O)C2CCOCC2)nnn1-c1ccccc1 408513317 QVEJGKARCHQULU-UHFFFAOYSA-N 372.425 1.601 0 50 FDAA C[C@@H]1CN(c2nc3ccccc3nc2N2CC[C@@H](C(N)=O)C2)C[C@@H](C)O1 269129858 HUZQATBBMHYCHQ-MGPQQGTHSA-N 355.442 1.555 0 50 FDAA CN(CC(=O)O)C[C@H]1CN(C(=O)[C@@H]2CSc3ccccc32)CCO1 275761734 RPHHWXAFWLIRLO-GXTWGEPZSA-N 350.440 1.120 0 50 FDAA Cn1cc(N2CC[C@@H](N3C(=O)CN(CCc4ccccc4)C3=O)C2=O)cn1 277176710 CFOKDWATRVHJBB-MRXNPFEDSA-N 367.409 1.032 0 50 FDAA CCN(CC(=O)O)C1CCN(C(=O)[C@@H](C)N2CCc3ccccc3C2)CC1 186642564 KTAGIJXZRVSHHR-MRXNPFEDSA-N 373.497 1.831 0 50 FDAA O=C(NCCn1c(S)nnc1C1CC1)C(=O)c1ccc2c(c1)CCC2 170644392 FLKDVYDFVWJMBL-UHFFFAOYSA-N 356.451 1.932 0 50 FDAA O=S(=O)([C@@H]1CCN(Cc2nccn2-c2ccccc2)C1)N1CCCC1 170611885 ADVWTNQIBJLAFU-QGZVFWFLSA-N 360.483 1.872 0 50 FDAA CCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(=O)c1ccc(OC)cc1 170624289 OWLWCPVJWYTNEW-UHFFFAOYSA-N 371.397 1.137 0 50 FDAA Cn1cc([C@H]2CS(=O)(=O)CCN2C(=O)NCCc2ccsc2)cn1 190067472 PESQSCQELXSUHI-CQSZACIVSA-N 368.484 1.205 0 50 FDAA CN1CCN(C[C@@H]2CCCN(C(=O)/C=C/c3cc(CO)cs3)C2)CC1 1506400548 AQPCFSIRJQFMOA-APHBUQMISA-N 363.527 1.740 0 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FDAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C3CCOCC3)C2)cc1 14981661 LZIPUAWXJALRLJ-HNNXBMFYSA-N 368.499 1.865 0 50 FDAA OCCN1CCN(C[C@H](O)COCCC23CC4CC(CC(C4)C2)C3)CC1 19770984 CKNAGKLOJXSPJL-KGMASTOKSA-N 366.546 1.580 0 50 FDAA COc1ccc(CN2C(=O)N[C@H](CC(=O)NCC(C)C)C2=O)cc1OC 206233598 QOYXNRKRPGSKPJ-CYBMUJFWSA-N 363.414 1.287 0 50 FDAA O=C1COc2cc(C(=O)N[C@H](c3ccccn3)[C@H]3C[C@@H](O)C3)ccc2N1 219320057 YGFWMQGTSMOXOO-LXIYXOSZSA-N 353.378 1.655 0 50 FDAA Cc1ccc(CNc2cccc(C(=O)N[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)c2)cc1 1857677966 GXRSTLHIJBYRJL-UAFMIMERSA-N 368.433 1.864 0 50 FDAA O=C(N[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)C1CCOCC1)C2)c1ccncc1F 1857684354 KNYOJOWLCNBHEZ-HALDLXJZSA-N 361.417 1.614 0 50 FDAA CC(C)Oc1ccc(C(=O)N2C[C@H]3[C@H](N(C)C)CS(=O)(=O)[C@H]3C2)cc1 1857700415 HGTYIZBVZQWPIH-BBWFWOEESA-N 366.483 1.273 0 50 FDAA COCCC(=O)N[C@@H]1CN(Cc2cccc(Cn3cccn3)c2)CC[C@H]1O 1857701018 KQUIPULAAMCUQE-RTBURBONSA-N 372.469 1.019 0 50 FDAA CCc1cc(S(=O)(=O)N2C[C@H]3COC[C@H](CN3C)C2)ccc1OC 1875251321 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1875326307 FWGVBNQTPGKGJI-CYBMUJFWSA-N 364.446 1.514 0 50 FDAA C[C@@H](NC(=O)NS(=O)(=O)c1ccsc1)c1ccc(N(C)C)nc1 1875330880 GVTJMZSFKMJENT-SNVBAGLBSA-N 354.457 1.958 0 50 FDAA CCn1nc2c(c1C(=O)N1CC=C(c3nnnn3C)CC1)C[C@H](C)O[C@@H]2C 1875314283 PZEWXVCXZISWIF-NWDGAFQWSA-N 371.445 1.378 0 50 FDAA COc1ccc(C(N)=O)cc1C(=O)Nc1cn(C)nc1-c1ccnn1C 1875357339 CKNCYINPKCUAIW-UHFFFAOYSA-N 354.370 1.180 0 50 FDAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1ccccc1N1CCOCC1 1875403543 WEXSBPWJXLFUGL-KVSKMBFKSA-N 370.453 1.289 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1ccc(-n2ccnc2)cn1 1875402882 NCMVRNSWLWOPML-KBRIMQKVSA-N 352.398 1.033 0 50 FDAA CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)c2cnn3ccncc23)C1 886035216 GGEMNRWJNLBJKZ-DZGCQCFKSA-N 353.382 1.433 0 50 FDAA CO[C@@H]1CN(C(=O)CCOc2cccc(C)c2C)C[C@H]1c1cn(C)nn1 886075493 MTHOFNZYUFAULN-MAUKXSAKSA-N 358.442 1.842 0 50 FDAA Cn1ncc(Cl)c1C(=O)N[C@@H]1CCCC[C@@H]1Cc1nnc(O)n1C 888095044 QCDOAQUUOJFHKX-MWLCHTKSSA-N 352.826 1.439 0 50 FDAA O=S(=O)(c1c[nH]c2ncc(Br)cc12)N1CCO[C@H]2C[C@@H]21 888101327 KHPCECVDINTMFB-UWVGGRQHSA-N 358.217 1.487 0 50 FDAA O=C(O)CN(Cc1ccccc1)C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 268896933 PHHMJLVZPMEFQU-LBPRGKRZSA-N 358.316 1.511 0 50 FDAA Cc1noc(C)c1C(=O)N[C@@H]1CCC[C@@H](CN2CCS(=O)(=O)CC2)C1 2100534647 RJRQJCHRODFMLL-HUUCEWRRSA-N 369.487 1.310 0 50 FDAA CC(C)CN(C)C(=O)c1cccc(C(=O)N2CC[C@]3(CCC(=O)N3)C2)n1 2325781781 KHYJJZCGNDACCC-LJQANCHMSA-N 358.442 1.304 0 50 FDAA O=C(O)[C@H]1Cc2nnc(CNC(=O)[C@@H]3SCCc4ccccc43)n2C1 2325812883 OXQPKCPBMHAUBC-XHDPSFHLSA-N 358.423 1.182 0 50 FDAA NC(=O)N[C@@H]1CCCN(c2ncnc3c2cnn3-c2ccccc2F)CC1 2325825139 GCJGJNIATWFRTF-GFCCVEGCSA-N 369.404 1.982 0 50 FDAA COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)cc1 1113963 TWEGRHWRFFFMAG-CQSZACIVSA-N 352.456 1.718 0 50 FDAA O=C(CCn1cnnc1)N1CCC[C@@]12CCCN(Cc1ccccc1)C2=O 2356141489 DPEOVXZSFPEKEQ-HXUWFJFHSA-N 367.453 1.852 0 50 FDAA O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCCCC1 3189828 DVZDOPVJDXSZQY-UHFFFAOYSA-N 368.455 1.099 0 50 FDAA CCOC(=O)N1CCN(C(=O)c2ccc(NS(=O)(=O)CC)cc2)CC1 4841403 FRAMANXYOKTEBJ-UHFFFAOYSA-N 369.443 1.363 0 50 FDAA CCS(=O)(=O)N1CCC(C(=O)N(C)c2ccccc2C(=O)O)CC1 6746141 NYNSVYKYTXDGRO-UHFFFAOYSA-N 354.428 1.409 0 50 FDAA CCN(CC(=O)O)C(=O)c1ccc(F)cc1I 224758605 DSNHHEDYGZHPSP-UHFFFAOYSA-N 351.115 1.977 0 50 FDAA Cc1cc(C)n(Cc2cccc(C(=O)NCCc3cc(=O)[nH]cn3)c2)n1 23505841 XGQCXSKMVMVMNO-UHFFFAOYSA-N 351.410 1.604 0 50 FDAA CC(C)N1CCN(Cc2cnc(N3CCOCC3)s2)C[C@H]1CCO 104395135 IGQGJDVEGQAQAM-OAHLLOKOSA-N 354.520 1.257 0 50 FDAA CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(N(C)CCC(N)=O)nc2)C1 67472853 ILNJLRSOPZDFKD-INIZCTEOSA-N 374.485 1.861 0 50 FDAA C[C@H]1CN(C2(C(=O)NCC(C)(C)CO)Cc3ccccc3C2)C[C@@H](C)O1 20877451 IVEDMPLRCZYVOV-IYBDPMFKSA-N 360.498 1.768 0 50 FDAA O=C(c1c[nH]c(=O)cn1)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 67955424 NEOLPPCQOWAVLJ-UHFFFAOYSA-N 364.361 1.572 0 50 FDAA O=C(NCc1nc2ccc(F)cc2[nH]1)c1cc(CN2CCC(O)CC2)on1 67833602 KHROMGJXNDMSMI-UHFFFAOYSA-N 373.388 1.577 0 50 FDAA O=C(O)CCc1cn(C2CCN(S(=O)(=O)c3ccccc3)CC2)nn1 63855857 YKYACAPLKBFRNT-UHFFFAOYSA-N 364.427 1.321 0 50 FDAA CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCCN(C)c2ccccc2)C1 65364452 ULDKLXJDPVOCGK-MRXNPFEDSA-N 367.515 1.691 0 50 FDAA COC(=O)c1cccc([C@@H]2CC(=O)Nc3c2cnn3Cc2cccnc2)n1 65371823 CUNYPZREHVWDKT-CYBMUJFWSA-N 363.377 1.982 0 50 FDAA Cn1ccnc1[C@@H]1CNCCN1S(=O)(=O)Cc1noc2ccccc12 253415975 HLFXXCWXFIBKKK-AWEZNQCLSA-N 361.427 1.038 0 50 FDAA Cc1nc([C@H]2CCCN(C(=O)Cn3nc(C)c4ccccc4c3=O)C2)n[nH]1 215034872 IRBSSQSJIWFGKI-AWEZNQCLSA-N 366.425 1.538 0 50 FDAA COCc1nc(CN2CCC(c3cc(N4CCCC4)ncn3)CC2)no1 72407323 SEGNDXNNJCJYAO-UHFFFAOYSA-N 358.446 1.986 0 50 FDAA COCCN(Cc1cnn(C)c1)C(=O)c1nn2cc(C)cnc2c1Cl 216527041 XLXDZMFDFYEMHU-UHFFFAOYSA-N 362.821 1.713 0 50 FDAA Cc1[nH]nc(C(C)C)c1C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 363900409 FPVQPYXNLZUTGU-UHFFFAOYSA-N 368.503 1.177 0 50 FDAA O=C(NC[C@H](c1ccncc1)N1CCOCC1)C1(N2CCCC2)CCCC1 215301805 IIOBXMDLXUXDRD-LJQANCHMSA-N 372.513 1.980 0 50 FDAA CC(C)c1ccc(C(=O)NC2(CN3CCOCC3)CCCC2)c(=O)n1C 216413946 FDSWWIDQZBJDHC-UHFFFAOYSA-N 361.486 1.884 0 50 FDAA O=C(COC[C@H]1CCCCO1)N1CCN(c2ncccc2Cl)CC1 216932779 GWQNUYMJNIEZPQ-CQSZACIVSA-N 353.850 1.969 0 50 FDAA CC(C)n1cc(C[C@@H]2N=C(O)N(Cc3cnc(Cl)s3)C2=O)nn1 328610192 GXJZUGXRZNTLIA-JTQLQIEISA-N 354.823 1.836 0 50 FDAA CN1C(=O)C[C@@H](CNCc2cn(C)nc2C(C)(C)C)[C@@H]1c1cnn(C)c1 328630602 PZPCCDNOFDJGEO-SUMWQHHRSA-N 358.490 1.760 0 50 FDAA CCCN1C[C@H]2CN(C(=O)Cc3cn4ccsc4n3)C[C@@]2(C(=O)O)C1 215916161 BVCGOUYZXHDOTR-SJCJKPOMSA-N 362.455 1.193 0 50 FDAA COCc1ccc(C(=O)N2CCc3c(ncnc3N3CCOCC3)C2)o1 77407029 ZVWRNYISHNAYIS-UHFFFAOYSA-N 358.398 1.251 0 50 FDAA O=C(Cc1ccc2c(c1)OCO2)NC[C@@H]1C[C@H](F)CN1c1cccnn1 375806906 AOFKAJFSFVJQER-KBPBESRZSA-N 358.373 1.481 0 50 FDAA CN(C)c1ccc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)cc1 77406417 DFWKOFCRLPTQJR-FQEVSTJZSA-N 359.470 1.590 0 50 FDAA CS(=O)(=O)CCN(C(=O)CCn1c(=O)oc2ccccc21)C1CC1 156015535 KCTIBKAJZHZCOX-UHFFFAOYSA-N 352.412 1.020 0 50 FDAA O=C(c1ccc2nc(O)[nH]c2n1)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 376159299 UXZXGUSWFAXZBA-KGLIPLIRSA-N 352.394 1.902 0 50 FDAA COCCN(C)CCN1CC2(CCN([C@H]3CCCOC3)CC2)OC1=O 72419554 QDQHWUBPPHAFNZ-INIZCTEOSA-N 355.479 1.030 0 50 FDAA Cc1ncc(C(=O)N2CCCN(CCCc3ccccc3)CC2)c(=O)[nH]1 72407803 MWHROHSBUTXPFT-UHFFFAOYSA-N 354.454 1.859 0 50 FDAA Cc1cccnc1[C@@H]1CCC[C@@H](NCC2(O)CCS(=O)(=O)CC2)C1 374186339 HKAXEPWAXHGANO-HZPDHXFCSA-N 352.500 1.946 0 50 FDAA NC1(CNC(=O)N2CC(=O)N(CC(F)(F)F)C2)C2CC3CC(C2)CC1C3 333531721 MHTJRSGMCBZOJJ-UHFFFAOYSA-N 374.407 1.514 0 50 FDAA NCCCOC1CCN(C(=O)c2ncccc2OCC(F)(F)F)CC1 237825516 HXDGDUZJBQSDIC-UHFFFAOYSA-N 361.364 1.993 0 50 FDAA C[C@H](O)c1cn(C2CN(C(=O)[C@H]3CCCN(Cc4ccccc4)C3)C2)nn1 378537772 FLUKLZSXIBKUJG-RDJZCZTQSA-N 369.469 1.627 0 50 FDAA Cc1ccc(CN2CCN(Cc3cccc(OCC(N)=O)c3)CC2=O)cc1 72158700 ITXJCSKTUVPUKY-UHFFFAOYSA-N 367.449 1.704 0 50 FDAA NC(=O)NC1CCN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 174403920 XOPAUKPRKOHNFE-MRXNPFEDSA-N 372.469 1.127 0 50 FDAA Cc1csc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)c1 451525749 AZZDDKQSXBYGDP-NSHDSACASA-N 352.503 1.101 0 50 FDAA O=C([C@@H](c1ccccc1)n1cnnn1)N1CCN(c2ccc(F)cc2)CC1 40286483 QLMQMWKZABENMJ-GOSISDBHSA-N 366.400 1.750 0 50 FDAA COc1ccc(C)cc1C(=O)N1CCC2(CC1)C[C@H](C(=O)O)N(C(C)=O)C2 82137551 ONTPFNFAUXSVOR-MRXNPFEDSA-N 374.437 1.931 0 50 FDAA COC(=O)N1CCCC[C@@H]1C(=O)N1CCN(c2ccc(C)cc2)C(=O)C1 82133818 FCONIYWBCQBTHS-MRXNPFEDSA-N 359.426 1.791 0 50 FDAA Cc1cccc2[nH]c([C@@H]3CCCN(C(=O)Cc4c[nH]c(=O)[nH]c4=O)C3)nc12 77453139 XNKGCAQDANRGCY-GFCCVEGCSA-N 367.409 1.197 0 50 FDAA COc1ccccc1-c1ncc(CNC(=O)N2CC[C@](O)(CO)C2)s1 426424416 WKYLKBHXPVUFSX-QGZVFWFLSA-N 363.439 1.457 0 50 FDAA CC(C)[C@@H]1C(=O)NCCN1C(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1 426707346 DROTUIADTXJVMF-OAHLLOKOSA-N 373.413 1.073 0 50 FDAA CN(C)C(=O)N1CCn2nc(CNC(=O)Cc3cccc(F)c3)cc2C1 82107001 AXYOBXARIJMRGA-UHFFFAOYSA-N 359.405 1.378 0 50 FDAA COCCN(Cc1ccccc1F)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 426726969 XAXCICPZSSWKGM-AWEZNQCLSA-N 363.433 1.995 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0 50 FDAA CC(C)C1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)N[C@@H](C)c1nncn1C 155600422 BWQCCZDDQWROBA-JSGCOSHPSA-N 354.414 1.667 0 50 FDAA Cn1cnc(CCN2Cc3c(C(=O)N4CCSCC4)cccc3C2=O)c1 72427105 JZTMRNRXFGZCNV-UHFFFAOYSA-N 370.478 1.808 0 50 FDAA CN(CCCn1cccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(C)(C)C)C(=O)[C@@H]13)O2 77408194 DRBWCEROXLXCPB-MFCZKXCZSA-N 372.469 1.312 0 50 FDAA Cc1ccc(-n2[nH]c(C(=O)N3CC(=O)N(CC(F)(F)F)C3)cc2=O)cc1 490231180 PPAKLQIHTKXFFY-UHFFFAOYSA-N 368.315 1.278 0 50 FDAA Cn1nnc2c(C(=O)NCCOc3cccc(C(F)(F)F)n3)ccnc21 282356993 TUYZOGYUMZMCIK-UHFFFAOYSA-N 366.303 1.586 0 50 FDAA CCn1c(CC2CCN(C(=O)c3cc(C(C)C)nn3C)CC2)n[nH]c1=O 71404213 CPILREXLNLCITG-UHFFFAOYSA-N 360.462 1.543 0 50 FDAA COc1cc(CN2CCNC(=O)[C@@H]2CCO)c(Cl)cc1OC(C)C 216257617 YVESHUGSTCXCMJ-AWEZNQCLSA-N 356.850 1.819 0 50 FDAA Cc1cccc(N2C[C@@H](NC(=O)Cc3c(C)nc(N)nc3C)CC2=O)c1 71738891 SMFBDFIGQWIOSN-AWEZNQCLSA-N 353.426 1.448 0 50 FDAA Cc1cc(C)c(C(=O)N2CCC[C@H](c3nnc(CN(C)C)n3C)C2)c(=O)[nH]1 72408786 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O=C(COc1ccc(Cl)cc1Cl)N1CCN(c2nc[nH]n2)CC1 299770741 MHJMAOGQUCSOLM-UHFFFAOYSA-N 356.213 1.839 0 50 FDAA O=C(CCC(=O)N1CC[C@H]2[C@H](C1)OCc1cnnn12)N1CCCCCC1 299771369 VRDJQFMHWOGKLB-HOTGVXAUSA-N 361.446 1.133 0 50 FDAA CSc1ccc(CN2CCn3nc(CNS(C)(=O)=O)cc3C2)cc1 299792327 FCAASJWXKIAUPN-UHFFFAOYSA-N 366.512 1.670 0 50 FDAA COCCN1C[C@H](CNC(=O)C2(N3CCCC3)CCCCC2)CC1=O 824412373 KGPPEACPQONIDX-INIZCTEOSA-N 351.491 1.396 0 50 FDAA COc1cc(C)c(-c2cccc(C(=O)NCCNS(C)(=O)=O)c2)cn1 584887362 VNXDUSCHHHOWIY-UHFFFAOYSA-N 363.439 1.345 0 50 FDAA Cc1nc(O)nc(O)c1CC(=O)N1CCC[C@@H](c2nc(C(C)C)no2)C1 952983672 QBWFPLNBFGCPME-LLVKDONJSA-N 361.402 1.651 0 50 FDAA CCCN(CCC)C(=O)[C@@H]1CC[C@H](NC(=O)Cc2cc(O)nnc2O)C1 1565514111 YZJKZGQPWWSYFM-OCCSQVGLSA-N 364.446 1.364 0 50 FDAA Cc1c(S(=O)(=O)NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)cnn1C 408478336 COYPQYKPBUSEGB-GUYCJALGSA-N 361.423 1.274 0 50 FDAA CNC(=O)[C@@H](O)CNC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 390832970 XUVVTDHIKSYWKH-ROUUACIJSA-N 366.421 1.217 0 50 FDAA COCCO[C@@H]1C[C@H](CO)CN(S(=O)(=O)c2cc(C)sc2C)C1 278897135 QMIAQSLDDXLEEM-UONOGXRCSA-N 363.501 1.399 0 50 FDAA O=C(Cc1ccc2c(c1)OCO2)NCCCN1C(=O)NC2(CCCC2)C1=O 170649974 JBUJXTKUHOBYBX-UHFFFAOYSA-N 373.409 1.329 0 50 FDAA Cc1c(NC(=O)c2ccc(-c3nnn(C)n3)cc2)c(N2CCCC2)nn1C 1506405755 HFAZMZYKMJJSRS-UHFFFAOYSA-N 366.429 1.772 0 50 FDAA c1ccc(CN2CCCO[C@@H](CN3CCOC4(CCNCC4)C3)C2)cc1 1506409982 BRVUKFGNUVCGJH-HXUWFJFHSA-N 359.514 1.732 0 50 FDAA Cc1cc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3CCc3cnc[nH]3)C2)no1 215295767 UNTNFJCAFFLDLZ-CJNGLKHVSA-N 357.414 1.402 0 50 FDAA Cc1ncc(CN2CC[C@H]3[C@H](CCC(=O)N3CC3CCNCC3)C2)cn1 222089122 JPABXNZGWSJRSN-MOPGFXCFSA-N 357.502 1.598 0 50 FDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cc(F)cc(Cl)c1 1704305248 UUXWTTJIPVKLCX-GXFFZTMASA-N 364.826 1.115 0 50 FDAA COC(=O)[C@H](CCCCNC(=O)C(F)(F)F)NC(=O)OC(C)(C)C 1772572627 BALMBSHYTCSODM-VIFPVBQESA-N 356.341 1.902 0 50 FDAA Cc1nonc1CC(=O)N1CCC[C@@](CO)(CCOc2ccccc2)C1 11874680 UYVGABODACAIFD-LJQANCHMSA-N 359.426 1.991 0 50 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COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3ccccc3)CC2)C1 71749684 POOBYAJELDXMLQ-SFHVURJKSA-N 373.497 1.766 0 50 FDAA Cc1ccc(C)c(-c2n[nH]cc2CN2CCN[C@@H](C(=O)NC3CC3)C2)c1 72150181 UUIQBIKUURVXAR-GOSISDBHSA-N 353.470 1.746 0 50 FDAA COc1ccc2c(c1)C[C@@H](C(=O)NCCc1nc(C(=O)O)cs1)CO2 262892004 CKWRIUAJDLLPAM-LLVKDONJSA-N 362.407 1.760 0 50 FDAA O=C(Cn1cccnc1=O)N1CCCN(CCCc2ccccc2)CC1 77407730 XOPBCUKLMOMCCO-UHFFFAOYSA-N 354.454 1.410 0 50 FDAA Cc1ncsc1CCNC(=O)C[C@H]1COCCN1C(=O)N1CCCC1 72457235 LRLSWHMXYODGEC-AWEZNQCLSA-N 366.487 1.417 0 50 FDAA CCC(CC)N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCc4n[nH]cc4C2)[C@@H]3C1=O 77354044 MZPQDGFYBXMERU-XLSPSMHOSA-N 370.453 1.265 0 50 FDAA O=C1CC[C@H](NC(=O)c2cc(I)c[nH]2)[C@@H](C2CC2)N1 375315096 XYZOSOYDQFUCDV-JOYOIKCWSA-N 373.194 1.406 0 50 FDAA O=C(C1=NN(CCO)C(=O)CC1)N1CCC[C@@]2(C1)OCc1ccccc12 375401851 IAFGZVQBSRBSFM-IBGZPJMESA-N 357.410 1.005 0 50 FDAA CN(C)C[C@]1(O)CCCN(C(=O)c2cccc(N3CCNC3=O)c2)CC1 72140421 UYTPQLYXQANHGU-IBGZPJMESA-N 360.458 1.135 0 50 FDAA Cc1nc(C)c(CC(=O)N(C)Cc2nccn2Cc2ccccc2)c(=O)[nH]1 81091721 HCEJFTALKCAZPX-UHFFFAOYSA-N 365.437 1.833 0 50 FDAA COC(=O)COc1c(Br)cc(Br)cc1C(N)=O 87489418 FOSBTFWVCCYGRS-UHFFFAOYSA-N 366.993 1.862 0 50 FDAA COc1ccccc1N1C[C@H](C(=O)NCCSc2cnn[nH]2)CC1=O 220651478 DCFACTJZMGIVFN-LLVKDONJSA-N 361.427 1.075 0 50 FDAA CC(C)C[C@@H](O)C(=O)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2 82107895 XNNWTRGEQJHYJJ-QGZVFWFLSA-N 362.474 1.439 0 50 FDAA Cc1cc(=O)c(C(=O)NCc2cc3n(n2)CCCN(CC(C)C)C3)c[nH]1 82092113 GDKJDIYPODSJLS-UHFFFAOYSA-N 357.458 1.672 0 50 FDAA CC(C)NC(=O)c1ccccc1-c1cccc(C(=O)NCC[C@H](O)CO)c1 426534322 AYCLWLJRSRTJRZ-KRWDZBQOSA-N 370.449 1.965 0 50 FDAA CCc1c(C)nn(CCNC(=O)[C@H]2CC(=O)N(Cc3ccncc3)C2)c1C 95517617 FGODIGCVTXMMCX-KRWDZBQOSA-N 369.469 1.622 0 50 FDAA COc1ccc(CC(=O)N[C@@H]2CCN(Cc3c(C)noc3C)C[C@H]2O)cc1 426504193 ZRKIQKSOGLRQST-RTBURBONSA-N 373.453 1.594 0 50 FDAA Cc1cc(C)n(CCNC(=O)CN2CC[C@H](c3ccccc3)C2)c(=O)n1 230568107 OAMIWQDQKZGZFT-SFHVURJKSA-N 354.454 1.466 0 50 FDAA CCc1nc(-c2ccc3c(=O)n(C)cnc3c2)n([C@@H]2CCS(=O)(=O)C2)n1 96148848 RNFLMKXRJPCSCK-GFCCVEGCSA-N 373.438 1.114 0 50 FDAA O=C(CCNC(=O)c1cnc2c(O)cccn2c1=O)Nc1ccccc1 97819547 UDWMDAKIZFWMHN-UHFFFAOYSA-N 352.350 1.159 0 50 FDAA CCc1ccc(-c2cc(C(=O)N3C[C@H](CO)[C@H](CN(C)C)C3)n[nH]2)cc1 91621391 JFAWDVQNCIUUBY-IAGOWNOFSA-N 356.470 1.881 0 50 FDAA Cc1cccc([C@@H](C(=O)N2CCC(N3CCNC(=O)CC3)CC2)N(C)C)c1 95371392 UOGFUXZFAMWBDW-FQEVSTJZSA-N 372.513 1.411 0 50 FDAA COCCN1CCC[C@@](O)(CN2CCc3[nH]c4ccccc4c3C2)C1=O 23129048 BWHOGROIJSMHIZ-HXUWFJFHSA-N 357.454 1.526 0 50 FDAA Cc1nc2ccc(-n3ncnc3CCN3CCC(C(N)=O)CC3)cc2s1 92065412 KHSMNHIYVWMOOA-UHFFFAOYSA-N 370.482 1.925 0 50 FDAA CCn1c(CN2CCN(c3ccccc3F)CC2)nnc1[C@H]1C[C@@H](N)C1 244840302 UKQPLEPOWHSCMR-GASCZTMLSA-N 358.465 1.964 0 50 FDAA CNS(=O)(=O)c1cccc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)c1 299742925 JMIXKKDGUZRKEW-CQDKDKBSSA-N 366.439 1.453 0 50 FDAA O=C(O)[C@@H]1CN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)CCO1 299747131 CAMWDOKJOKMWHA-AWEZNQCLSA-N 353.802 1.700 0 50 FDAA CCn1cc(C(=O)N[C@@H]2CCNC2=O)c(=O)c2cc(F)c(F)c(F)c21 244719250 LZQXTYJHRSWPSW-SNVBAGLBSA-N 353.300 1.057 0 50 FDAA O=C([C@@H]1C[C@@H](F)CN1Cc1ccc2c(c1)OCCO2)N1CCOCC1 299744025 NKFCFNDLHNQKRY-CABCVRRESA-N 350.390 1.229 0 50 FDAA O=C([C@@H]1C[C@@H](F)CN1Cc1cnn(-c2ccccc2)c1)N1CCOCC1 299745938 UEJIDVXDFGSINY-AEFFLSMTSA-N 358.417 1.644 0 50 FDAA Cc1nc(C)n(CCCNC(=O)c2ccc(-c3nc(=N)cc[nH]3)cc2)n1 534574524 DZAYBZHHCUUGEX-UHFFFAOYSA-N 351.414 1.585 0 50 FDAA Cc1nn(CCC(N)=O)c(C)c1-c1ccc(C(=O)N2CCC[C@H]2CO)cc1 534591455 WDRHHFSVCSSANB-KRWDZBQOSA-N 370.453 1.639 0 50 FDAA CCCNC(=O)c1ccc(NC(=O)N2CCN([C@H]3CCNC3)CC2)c(C)c1 299790833 BUFGACFHUXMNMX-KRWDZBQOSA-N 373.501 1.646 0 50 FDAA COc1ccc([C@@]2(CC(=O)N3CCSCC3)CC(=O)N(C)C2=O)cc1 299784392 OCPJGXAYEIWRHL-SFHVURJKSA-N 362.451 1.287 0 50 FDAA CN(C)CCCOc1ccccc1CN1CC[C@H]2[C@H](C1)OCc1cnnn12 299758611 LDBRAGINBWRXDL-ICSRJNTNSA-N 371.485 1.954 0 50 FDAA Cc1cccc(=O)n1CCCNC(=O)N1CCC(N2CCOCC2)CC1 670470908 LPSMVDXEBUSMAY-UHFFFAOYSA-N 362.474 1.053 0 50 FDAA Cc1ncccc1Oc1ncnc(N[C@H]2CCOC[C@@H]2OCCO)c1C 1565508406 RXXOJNGEAKBRJI-HOCLYGCPSA-N 360.414 1.859 0 50 FDAA CCc1nnsc1C(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1ccccn1)C2 1565507053 NBDFVFBXSJLUOR-OLZOCXBDSA-N 371.466 1.872 0 50 FDAA Nc1nc(N2CCC[C@H](CNC(=O)Cc3cccs3)C2)cc2nncn12 952979438 WHRAOHDVOPTQMG-GFCCVEGCSA-N 371.470 1.343 0 50 FDAA COc1ccc(CNS(=O)(=O)c2cc(C(=O)O)cc(C)c2C)nc1 278312650 RUKAJTUIGZCCHV-UHFFFAOYSA-N 350.396 1.884 0 50 FDAA C[C@H](O)C[C@@H]1CCCCN1C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 279133032 BJHNUUBWQBASQM-VRHCTWJESA-N 359.426 1.507 0 50 FDAA CCOc1nc(C)ccc1C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 279451763 KOWOACBKAHJRNP-AWEZNQCLSA-N 367.471 1.429 0 50 FDAA O=C(NCC(=O)N1CCOC[C@@H]1[C@H]1CCCCC1=O)c1ccc(F)cc1 274055155 JTKHPJPQAHIQKM-HZPDHXFCSA-N 362.401 1.542 0 50 FDAA OC[C@@H]1C[C@H](O)CN1Cc1cc2c(cc1Br)OCCCO2 186495849 TYPYPOWINVSQLG-RYUDHWBXSA-N 358.232 1.538 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)CCc2ccccc2)CN1C1CCOCC1 97772984 QOJANIJGKPBNDJ-HKUYNNGSSA-N 373.497 1.493 0 50 FDAA O=C(c1ccccn1)[C@@H]1CCCN(C(=O)c2cccc(-n3cnnc3)n2)C1 1506425922 IGSPRYDLHLYVFO-CQSZACIVSA-N 362.393 1.792 0 50 FDAA CNC(=O)C[C@H]1CCN(C(=O)CC(=O)Nc2cccc(Cl)c2C)C1 1506423210 USBZIQCENBMJKN-GFCCVEGCSA-N 351.834 1.962 0 50 FDAA CCCn1ncc(C(=O)N2C[C@H](C(C)C)[C@@H](NS(C)(=O)=O)C2)c1C 219343129 VLKZBQHBHMYRPM-CABCVRRESA-N 356.492 1.247 0 50 FDAA CCc1cc(N2C[C@H](O)[C@H](Cc3ccncc3)C2)nc(N2CCOCC2)n1 1704297821 XMTIRHCMFURBPX-AEFFLSMTSA-N 369.469 1.310 0 50 FDAA CC1(C(=O)N2CCCN(C(=O)c3ccc(S(C)(=O)=O)cc3)CC2)CC1 1772712583 TXKDBXYWHFBUDY-UHFFFAOYSA-N 364.467 1.565 0 50 FDAA CCOC(=O)N1CC[C@@H](N2CCCN(C(=O)c3cscn3)CC2)C1 1775982376 UEOJBFRTTXCRIN-CYBMUJFWSA-N 352.460 1.522 0 50 FDAA Cc1cc2c(cc1CN1CCCN(C(=O)[C@H]3CCC(=O)N3)CC1)OCCO2 1775977904 LLOSPIAALUFCDW-MRXNPFEDSA-N 373.453 1.079 0 50 FDAA O=C(CN1C[C@@H]2COCC[C@]2(C(=O)O)C1)NCCc1ccc(Cl)cc1 1772709708 LFXKLCCXKWBARW-KDOFPFPSSA-N 366.845 1.422 0 50 FDAA O[C@@H]1CN(Cc2nccs2)CC[C@H]1N1CCN(c2ccccn2)CC1 12594279 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1.735 0 50 FDAA NC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)c2cnc3ccccc3c2)C1 95498704 AGLJJOKDKXSTQM-OAHLLOKOSA-N 363.421 1.936 0 50 FDAA CC(C)N1CCC[C@@]2(CCN(Cc3cc(=O)n4cccc(O)c4n3)C2)C1=O 91849000 XOFVBVFCUQKIIV-FQEVSTJZSA-N 370.453 1.623 0 50 FDAA CN1CC[C@@]2(CCC1=O)CN(Cc1nc3ccccc3n1C)CCN2C 95366665 UIWUKHDLKAFHJM-FQEVSTJZSA-N 355.486 1.702 0 50 FDAA CCNc1ncc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3cccc(F)c3)C2)cn1 91679696 CPUKWSQUOKAUHQ-LSDHHAIUSA-N 358.373 1.988 0 50 FDAA CCOCC(=O)N1CCC(C(=O)N(C)Cc2cnc3ccccc3n2)CC1 244866697 WAXLENLMZYFSTP-UHFFFAOYSA-N 370.453 1.863 0 50 FDAA CC1(C)C(=O)NCCN1C(=O)c1cn(-c2cccc(Cl)c2F)nn1 181349181 JEIYCXWMQAJGET-UHFFFAOYSA-N 351.769 1.410 0 50 FDAA COc1ccccc1OC1CCN(CCn2c(O)nc(C)cc2=O)CC1 253537071 WKMBJIIVXDTYOO-UHFFFAOYSA-N 359.426 1.809 0 50 FDAA CCCCc1ccc(S(=O)(=O)NC[C@@H]2CN(C(C)=O)CCO2)cc1 534578184 NBHLPWAYQKHBLU-MRXNPFEDSA-N 354.472 1.555 0 50 FDAA CN1CCN(C(=O)c2cccc(NC(=O)NCC[C@@H]3CCCN3C)c2)CC1 299757316 LFWKCBSFTPWDBM-SFHVURJKSA-N 373.501 1.680 0 50 FDAA CCOc1cccc(CN(CCO)c2cc([C@H]3CCOC3)nc(N)n2)c1 299781422 SYWYIRRQSIAFPJ-HNNXBMFYSA-N 358.442 1.960 0 50 FDAA Cc1nc(-c2ccc(CNC(=O)[C@H]3CCCCn4nnnc43)cc2)no1 299793056 IEXBTMHZOZPNQA-AWEZNQCLSA-N 353.386 1.615 0 50 FDAA Cc1ccc(N2C[C@H](NC(=O)c3n[nH]c4c3CN(C)CC4)CC2=O)cc1 299802335 KOLTVXPLTKIVDV-CYBMUJFWSA-N 353.426 1.241 0 50 FDAA COCCCn1c(C)cc(O)c([C@H](CC(=O)OC)c2cccnc2)c1=O 824396372 KULDYGABLFOBCX-OAHLLOKOSA-N 360.410 1.989 0 50 FDAA Cc1ccccc1Cn1nc(CC(N)=O)nc1[C@@H](C)N1C[C@H](C)O[C@H](C)C1 826841902 DULPHDRIWOCECP-OWCLPIDISA-N 371.485 1.833 0 50 FDAA CNC(=O)[C@H]1CC[C@H](CNC(=O)N(CCO)Cc2ccccc2F)CC1 670434197 YRUMXUAKEWVCIU-SHTZXODSSA-N 365.449 1.882 0 50 FDAA Cc1nnnn1-c1ccc(CC(=O)N(C)Cc2noc(CC(C)C)n2)cc1 952966829 KGUDZGMCIBDUTK-UHFFFAOYSA-N 369.429 1.753 0 50 FDAA COc1ccc(CNC(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)cc1O 275796166 WFMQWMRCPAIOCU-ZDUSSCGKSA-N 351.447 1.387 0 50 FDAA Cc1noc([C@@H]2COCCN2c2cc(C(F)(F)F)nc3ncnn23)n1 170076087 TZCGFZHQTZYYAZ-QMMMGPOBSA-N 355.280 1.412 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccccc2)CN1Cc1cn(C)nc1C 96164810 UEGGAMKSKWZOMT-ROUUACIJSA-N 369.469 1.238 0 50 FDAA CN1CCO[C@@H](CNC(=O)C2(c3ccccc3Br)CC2)C1 191029868 NOTIYJHYMGFHLH-LBPRGKRZSA-N 353.260 1.928 0 50 FDAA CCc1ccc(N2C(=O)CN(Cc3ccccc3)C2=O)cc1S(N)(=O)=O 771950704 WRBSBENRCRIEEB-UHFFFAOYSA-N 373.434 1.865 0 50 FDAA CC(C)c1cc(C(=O)Nc2nnc(SCC(=O)N(C)C)s2)n(C)n1 1506403594 UNWCCXQKHHYGMV-UHFFFAOYSA-N 368.488 1.828 0 50 FDAA CN(Cc1cccnc1)C(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1529110782 OROOYGVVMXSOND-MOPGFXCFSA-N 366.421 1.566 0 50 FDAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2ccccc2-c2ccco2)C[C@H]1O 1529142193 HJWZPZAUHRUCHS-DOTOQJQBSA-N 364.467 1.631 0 50 FDAA O=C(N[C@H]1CCN(C(=O)CCCc2cccs2)C[C@@H]1O)c1ccccn1 222004595 OKXNRAQURCSIAW-RDJZCZTQSA-N 373.478 1.858 0 50 FDAA COc1ccnc(C(=O)N2CCCN(C(=O)c3ccn(C)c3C)CC2)c1 1704315535 JFCULTBPHXCXDS-UHFFFAOYSA-N 356.426 1.725 0 50 FDAA Cc1cc(C(=O)N2C[C@H]3CN(CCc4nccn4C)C[C@]3(CO)C2)c(C)o1 1772705430 YSJDULLVEUJNBI-OXQOHEQNSA-N 372.469 1.239 0 50 FDAA Cc1cccc(CC(=O)N2C[C@@H]3CN(C(=O)c4ccco4)C[C@@]3(CO)C2)c1 1772804657 CIRCGMNSTSPJCF-DYESRHJHSA-N 368.433 1.724 0 50 FDAA O=C(c1cnsn1)N1CC[C@H]2[C@H](CCC(=O)N2Cc2cccnc2)C1 12027678 XZWOSYMRLJDEID-HIFRSBDPSA-N 357.439 1.586 0 50 FDAA COc1ccc(CC(=O)NC[C@H]2CCCN(C(=O)CN3CCCC3)C2)cc1 12111713 QLZGCBPIELYNCT-GOSISDBHSA-N 373.497 1.688 0 50 FDAA CCOc1cc(=O)n2c(c1C(=O)Nc1ccc(C(N)=O)cc1)CCCC2 169752899 OJAWWIKRTBQZRW-UHFFFAOYSA-N 355.394 1.935 0 50 FDAA Cc1ccnc(N2CC[C@@H](O)[C@]3(CCCN(C(=O)c4cscn4)C3)C2)n1 1857687048 JADUDBIKESLADF-QAPCUYQASA-N 373.482 1.735 0 50 FDAA Cc1nsnc1C(=O)N1CCC[C@]2(C1)CN(c1ccncc1)CC[C@H]2O 1857687590 ZWDZVHPEVZKBBC-CRAIPNDOSA-N 373.482 1.735 0 50 FDAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3ccc(Cl)cc3F)C[C@@H]12 1857700700 KAHCHOKTFRJOMR-YUTCNCBUSA-N 360.838 1.278 0 50 FDAA O=C1CC[C@H](C(=O)N2CCC(C3CCN(c4ccncc4F)CC3)CC2)N1 1857719471 NOTZWILDLGNCTH-QGZVFWFLSA-N 374.460 1.954 0 50 FDAA O=C(CCc1cc(O)no1)N1CC[C@@H](O)[C@@](CO)(Cc2ccccc2)C1 1857739594 WYCJUGVTQSMVRK-APWZRJJASA-N 360.410 1.127 0 50 FDAA CCc1cnc(N2CCN(C(=O)[C@@H](NC(C)=O)[C@@H](C)CC)CC2)s1 330604969 HENNHQIYKOBRIX-WFASDCNBSA-N 352.504 1.905 0 50 FDAA O=C(COc1nsnc1N1CCOCC1)NC[C@@H]1CCCC1(F)F 823354942 QWLJHALVGOAXCT-JTQLQIEISA-N 362.402 1.305 0 50 FDAA C[C@@H](NC(=O)C1(C(=O)O)CCOCC1)c1cccc(NS(C)(=O)=O)c1 844152153 NSJOACJHIVQNBH-LLVKDONJSA-N 370.427 1.117 0 50 FDAA NC(=O)[C@H](NC(=O)Cc1ccc2nc(O)[nH]c2c1)c1ccc(Cl)cc1 1875263811 OZKPPULUSQWIEK-OAHLLOKOSA-N 358.785 1.807 0 50 FDAA C[C@@H](C(=O)NS(=O)(=O)Oc1ccccc1)n1ccc(C(F)(F)F)n1 1875313462 REPRLVFPCIPSRK-VIFPVBQESA-N 363.317 1.903 0 50 FDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCN(CCc4cnccn4)CC3)n[nH]c21 1875395142 NAFUWZNMTVFTDS-KGLIPLIRSA-N 370.457 1.222 0 50 FDAA Cc1ncc(S(N)(=O)=O)cc1CNC(=O)c1cc(-c2ccccc2)[nH]n1 1875358393 UUILJOXINRJIAW-UHFFFAOYSA-N 371.422 1.358 0 50 FDAA O=C(NS(=O)(=O)c1cccc(Cl)c1)c1ccc2c(c1)CCNC2=O 1875333381 QRFZPZNXYHXBLF-UHFFFAOYSA-N 364.810 1.745 0 50 FDAA CN(C[C@@H]1CCNC1)c1ncnc(N2CCCC[C@H]([C@@H]3CCOC3)C2)n1 1875405732 NGFMMTBLVPEPAK-IXDOHACOSA-N 360.506 1.560 0 50 FDAA Cc1c([C@H]2CN(Cc3cnc(C(C)(C)C)nc3)C[C@@H]2C(N)=O)cnn1C 888078655 HVPUPPUZJXJXIN-CVEARBPZSA-N 356.474 1.517 0 50 FDAA O=C(C1CCN(c2cnccn2)CC1)N1CC[C@]2(C(=O)O)CCCC[C@H]12 2325784435 FENFDUZXMGYHDT-HNAYVOBHSA-N 358.442 1.939 0 50 FDAA O=S(=O)(Cc1cccc(F)c1Br)NC1CC2(CNC2)C1 2325800941 NVTOXIBFKRCWPO-UHFFFAOYSA-N 363.252 1.760 0 50 FDAA O=C([C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)N1CCN2CCC[C@@H]2C1 2325807093 ZLRSEDSTFARAFV-NVXWUHKLSA-N 352.442 1.593 0 50 FDAA CN1CCc2c(n(C[C@@H](O)CNC[C@H]3CCCO3)c3ccccc23)C1=O 803232 QFXPZVNWRKDXDF-LSDHHAIUSA-N 357.454 1.399 0 50 FDAA biogenic CN(C)C[C@H]1[C@@H]2CC[C@@]3(CN(C(=O)Cc4noc5ccccc45)C[C@@H]13)O2 2356163105 XUCRVJHEMHHQRY-RPWFAHAXSA-N 355.438 1.938 0 50 FDAA CC(C)[C@H](O)c1nnc2ccc(C(=O)N3CCC4(CCN(C)CC4)C3)cn12 2356168170 RZAOASHFQXUQEE-KRWDZBQOSA-N 371.485 1.977 0 50 FDAA NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 7307192 YBOQRXIGOXFPEY-CQSZACIVSA-N 352.799 1.782 0 50 FDAA Cc1ccc(N2CCc3nc(C)nc(N4CCC[C@@H](O)C4)c3CC2)nn1 106996976 DFIAHDWRDUWPJR-OAHLLOKOSA-N 354.458 1.450 0 50 FDAA CNC(=O)[C@@H]1CCCCN1C(=O)CCN1CCN(c2cccc(C)c2)CC1 173911212 FQJDSIIOQDDEIL-IBGZPJMESA-N 372.513 1.634 0 50 FDAA CC1CCN(c2ccc(=O)n(CC(=O)Nc3nnc(C4CC4)s3)n2)CC1 61718139 BDBKLPGYTOUAQP-UHFFFAOYSA-N 374.470 1.847 0 50 FDAA CCn1c(C2CCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)n[nH]c1=O 65409748 HMKFNLGULSQVPP-UHFFFAOYSA-N 366.425 1.797 0 50 FDAA O=C(NC1CC1)c1cc2n(n1)CCCN(C(=O)[C@@H](O)c1ccc(F)cc1)C2 65374718 BDJCCVSJROAJKU-KRWDZBQOSA-N 372.400 1.380 0 50 FDAA Cn1cc(N2CC[C@H](NC(=O)c3cc(-c4ccc(F)cc4)[nH]n3)C2=O)cn1 117831893 LZPOPWGGEKNPBN-AWEZNQCLSA-N 368.372 1.485 0 50 FDAA CCn1c([C@@H]2CCCN(C(=O)c3c(C)nc4sccn34)C2)nn(C)c1=O 67769714 AXBFEMIOEAXSPO-GFCCVEGCSA-N 374.470 1.639 0 50 FDAA Cc1nc2c(c(=O)n1C)CCN(C(=O)c1cccc3c1NCCC3)CC2 65467515 VOORUXFGYHJGEA-UHFFFAOYSA-N 352.438 1.688 0 50 FDAA COc1ccc(NC(=O)CN2CCN(c3ccccn3)CC2)c(OC)c1 20247463 NIRIZBLAVKGGIJ-UHFFFAOYSA-N 356.426 1.860 0 50 FDAA CS(=O)(=O)Cc1noc(NC(=O)NC2C3CC4CC(C3)CC2C4)n1 119653557 OUJPXBTYKFTMKA-UHFFFAOYSA-N 354.432 1.560 0 50 FDAA O=C([C@H]1CCCN1C(=O)c1ccccc1OC(F)F)N1CCC(O)CC1 119950858 YVELPJLNWJOQPW-CQSZACIVSA-N 368.380 1.876 0 50 FDAA C[C@H]1CCCCN1CCN(C)C(=O)c1cc(CN2CCOCC2)on1 67954731 SKJHXXDYDROCHH-HNNXBMFYSA-N 350.463 1.453 0 50 FDAA COCC(=O)N1CCC2(CC1)CN(CCCc1ccccc1)CCN2C 67676205 CRYRTCMCOQYEHX-UHFFFAOYSA-N 359.514 1.874 0 50 FDAA CN(C(=O)[C@H]1CCc2nn[nH]c2C1)[C@H]1CCN(c2ccccc2F)C1=O 328795894 UIIRXSMFRKXZIH-ZBEGNZNMSA-N 357.389 1.313 0 50 FDAA COC[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCC3)c2)C1 215448499 VHFWSUBXLWFFQH-AWEZNQCLSA-N 352.456 1.580 0 50 FDAA Cc1ccc(CN2CCN(C(=O)C[C@@H](C)N3CCOCC3)CC2=O)cc1 77297897 MELSQSXZJQKBCM-QGZVFWFLSA-N 359.470 1.277 0 50 FDAA Cc1nn(C)c(C)c1CN1CCN(C(=O)[C@H]2CCn3cncc3C2)CC1 152666273 UKOKNDSDFPRTAJ-INIZCTEOSA-N 356.474 1.140 0 50 FDAA NC(=O)c1ccc(C(=O)NS(=O)(=O)Cc2ccc(Cl)c(F)c2)cc1 242164716 WXFNLKCSSPGQBZ-UHFFFAOYSA-N 370.789 1.838 0 50 FDAA COc1ccc(CCC(=O)N2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)cc1 77337426 GELKMQROTUBVCC-OAQYLSRUSA-N 374.481 1.851 0 50 FDAA Cc1cnn(C2(C(=O)O)CCN(CCn3c(=O)oc4ccccc43)CC2)c1 77320930 KBFLCJKMIHXRMP-UHFFFAOYSA-N 370.409 1.675 0 50 FDAA O=C(c1csc(O)n1)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 367443631 TVUATOGHRCRCFR-INIZCTEOSA-N 372.494 1.881 0 50 FDAA O=C(O)[C@H]1CC2(CCN(c3ccc(Cl)nn3)CC2)CN1C(=O)C1CC1 72429879 ISKPKDRSKXKRLU-GFCCVEGCSA-N 364.833 1.812 0 50 FDAA CCN(CC)C(=O)[C@@H]1C=C2c3cccc4c3[C@@](O)(C[C@H]2N(C)C1)C(=O)N4 34335996 YSZSHHCNLVHCNV-RRBXVBTKSA-N 355.438 1.412 0 50 FDAA in-vitro Cc1ccc(-c2noc(CN3CCN(C(=O)[C@@H]4CC[C@H](N)C4)CC3)n2)cc1 237779445 JEVDMBUZMMAVJC-SJORKVTESA-N 369.469 1.817 0 50 FDAA CCc1ccc(-c2noc([C@@H](C)NC(=O)[C@H]3C[C@@H](O)CN3C(C)=O)n2)cc1 369077869 NIAUPROKWKNAPW-HFBAOOFYSA-N 372.425 1.458 0 50 FDAA O=C(O)CO[C@@H]1COCC[C@H]1NC(=O)c1[nH]c2ccccc2c1Cl 218466187 QCVRFNDJXINIHA-VXGBXAGGSA-N 352.774 1.810 0 50 FDAA CN1C(=O)C[C@@H](CNC(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cnn(C)c1 372977277 FBYSMFVXSLCNGX-YVEFUNNKSA-N 356.382 1.098 0 50 FDAA O=C1CC[C@@]2(CCCN(Cc3noc(-c4ccccc4)n3)C2)CN1CCO 77436598 WOMYAVSGEMBRSB-HXUWFJFHSA-N 370.453 1.934 0 50 FDAA Cn1c(CN2CCOCC2)nnc1[C@@H]1CCCN(Cc2cccnc2)C1 72458506 ANORUOWWZMNMIX-QGZVFWFLSA-N 356.474 1.422 0 50 FDAA Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)CCCn1ccnc1 219329914 OHTXQSQJECUVGV-SJORKVTESA-N 362.430 1.759 0 50 FDAA C[C@H]1CCCN(CCOc2ccc(CN3CCN(C(N)=O)CC3)cc2)C1 216409706 XDJOJIPIELFFHN-KRWDZBQOSA-N 360.502 1.994 0 50 FDAA COC(=O)CNC(=O)C[C@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21 71575600 NMOHASRZDBRLEY-NRFANRHFSA-N 366.417 1.823 0 50 FDAA CCOCCn1c(=O)[nH]c2cc(C(=O)NCc3noc(CC)n3)ccc21 77457861 BEPWQSLJAVUELT-UHFFFAOYSA-N 359.386 1.242 0 50 FDAA CCS(=O)(=O)Nc1ccc(C(=O)NCCc2nc(C3CC3)no2)cc1 221325006 DDFUGIARPKVCIV-UHFFFAOYSA-N 364.427 1.681 0 50 FDAA COc1cccc(N2CCN(C(=O)COC[C@@H]3CCCCO3)CC2=O)c1 82091910 YYPULVRRNMAWGK-KRWDZBQOSA-N 362.426 1.456 0 50 FDAA Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)NCc2nc(-c3cccnc3)no2)n1 222692988 FSFOTKTWZZYTMD-JTQLQIEISA-N 372.410 1.320 0 50 FDAA Cc1ccc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(N)=O)cc2)c(O)c1 222363654 GTHROWVYADBYHD-SJLPKXTDSA-N 370.405 1.766 0 50 FDAA O=C(Cn1ccc(=O)c2ccccc21)N[C@H]1COC[C@@H]1N1CCCCC1 426504476 LOUZRYMCIXNHEK-WMZOPIPTSA-N 355.438 1.371 0 50 FDAA CCCCN1C[C@]2(CCCN(C(=O)c3ccc4nnnn4c3)C2)CCC1=O 82127372 WVRJFSDPJQEMNQ-IBGZPJMESA-N 370.457 1.769 0 50 FDAA COc1cc(-c2ccc(C(=O)N3CCNC(=O)[C@@H]3C(C)C)cc2)nc(N)n1 426500089 LGLMTXGJKCTRIU-INIZCTEOSA-N 369.425 1.331 0 50 FDAA O=C(CCn1cccn1)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2 82145677 QFVYGSBVCWVIQP-UHFFFAOYSA-N 370.457 1.319 0 50 FDAA Nc1nc(C2CC(N)C2)cc(N2CCN(c3ccc(F)cc3F)CC2)n1 223790508 SGRNUEHNUDXDQO-UHFFFAOYSA-N 360.412 1.868 0 50 FDAA Cc1cnc2c(C(=O)N[C@H](Cc3ccncc3)[C@H]3C[C@H](O)C3)cnn2c1 223555151 MGDCAVBXQRMEDH-HLLBOEOZSA-N 351.410 1.545 0 50 FDAA CN(C)C(=O)N1CCn2nc(CNC(=O)c3cc4ccccc4[nH]3)cc2C1 82171021 DWTRBWUVMOZOHK-UHFFFAOYSA-N 366.425 1.792 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426521129 AYGKOMGTWYWBLK-IAGOWNOFSA-N 373.457 1.020 0 50 FDAA CN(C)C(=O)CO[C@@H]1COCC[C@H]1NC(=O)c1ccnc2ccccc12 222514567 ZQYXMWUGJVMTJQ-IAGOWNOFSA-N 357.410 1.227 0 50 FDAA Cc1nc(C2CCN(C(=O)NCCN3CCN(C(C)C)CC3)CC2)n[nH]1 426498420 GSESJTZSJYIVQE-UHFFFAOYSA-N 363.510 1.028 0 50 FDAA CCOC(=O)N1CCC(NC(=O)Cn2ccc([C@@H]3CCCNC3)n2)CC1 426503139 VYRHQHWSBSCNCL-CQSZACIVSA-N 363.462 1.087 0 50 FDAA O=C(NCc1cnn(-c2ccccc2)c1)N1CCN(C2CCOCC2)CC1 83172419 ATVOBAFKLHUZKM-UHFFFAOYSA-N 369.469 1.879 0 50 FDAA COC(=O)c1ccc(-c2cccc(C(=O)N[C@H]3CCC(=O)N(C)C3)c2)nc1 426684506 OHXDYAKAQBBGCT-INIZCTEOSA-N 367.405 1.886 0 50 FDAA C[C@H](NC(=O)N[C@@H]1COc2ccccc2[C@H]1O)C(=O)N1CCCC[C@H]1C 291175714 ZNYQPSCIDZFTIH-IARIHHJXSA-N 361.442 1.570 0 50 FDAA Cc1cccn2c(CNC(=O)Cn3ccc([C@H]4CCCNC4)n3)cnc12 426593775 NCNNVBPGUGSDTH-HNNXBMFYSA-N 352.442 1.623 0 50 FDAA CC(C)[C@@H](O)C(=O)N1CCC2(CCC(=O)N(CCc3ccncc3)C2)CC1 91586027 FYWCHBDOXNBAIA-LJQANCHMSA-N 373.497 1.872 0 50 FDAA Nc1cc(-c2ccc(C(=O)NCCN3CCCC[C@@H]3CO)cc2)ncn1 426674018 IQJSNVPOXQOLGT-MRXNPFEDSA-N 355.442 1.302 0 50 FDAA CCCN1CCC[C@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1=O 91998148 CEFPCQRIHVVQMR-GOSISDBHSA-N 374.466 1.621 0 50 FDAA CNCCNC(=O)c1cccc(OC2CCN(C3CCN(C)CC3)CC2)c1 95519464 HPRWVSQVPWBERM-UHFFFAOYSA-N 374.529 1.573 0 50 FDAA C[C@@H]1CCCCN1C1CN(c2cc(C(=O)N3CCN(C)CC3)ccn2)C1 96162083 CZUNFFBDOUNDKQ-MRXNPFEDSA-N 357.502 1.532 0 50 FDAA NC(=O)CN1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 95496524 PKILICGCZPTZTA-IBGZPJMESA-N 372.513 1.308 0 50 FDAA COCCC[C@]1(C(=O)O)CCCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)C1 91585908 CICXDENCYIUVNQ-GOSISDBHSA-N 365.430 1.049 0 50 FDAA O=C([C@@H]1CCCN(C2CCOCC2)C1)N1CCN(c2cccc(O)c2)CC1 97393962 FXAPHVWSRFSRTR-QGZVFWFLSA-N 373.497 1.932 0 50 FDAA Cc1nn(CCC(=O)N2CCC[C@@H](c3nccn3CC(N)=O)C2)c(C)c1C 95531481 VNCXOGAXXUZWPK-MRXNPFEDSA-N 372.473 1.286 0 50 FDAA CCn1ccc(C(=O)N2CCC[C@H](c3nccn3CCOC)C2)cc1=O 91713865 FSJZIHYLOWTEFR-INIZCTEOSA-N 358.442 1.731 0 50 FDAA CN1CCC[C@]2(CCN(S(=O)(=O)CCOc3ccccc3)C2)C1=O 91304508 SKHZKBLNUUKKAS-QGZVFWFLSA-N 352.456 1.340 0 50 FDAA O=C(NCc1nnnn1-c1ccccc1)c1cnc(-c2cccnc2)nc1 95380214 UTYUBCJRZGMQDU-UHFFFAOYSA-N 358.365 1.444 0 50 FDAA Cc1ccc(OC2CCN(C(=O)[C@H]3CCCN(CC(N)=O)C3)CC2)cc1 91325864 PQPXRYKBXZFPAN-INIZCTEOSA-N 359.470 1.562 0 50 FDAA NC(=O)[C@@H]1CCCN(C(=O)CNC2(c3ccc(F)cc3F)CCC2)C1 179990280 HXYLNZWFACTQHY-GFCCVEGCSA-N 351.397 1.658 0 50 FDAA Cc1nc(CN2CCN(C(=O)c3cnc(-c4cccnc4)nc3)CC2)no1 95382766 NHUOUVLBONRGRV-UHFFFAOYSA-N 365.397 1.188 0 50 FDAA Cc1ccc(C(=O)N2CCC3(CC2)CN(C)C(=O)O3)cc1N1CCNC1=O 91907766 CYMVXZXUFCJPII-UHFFFAOYSA-N 372.425 1.581 0 50 FDAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1COC2(CCCCC2)C1 244719086 LWPSOUQKASGFAO-ZDUSSCGKSA-N 352.456 1.864 0 50 FDAA O=C(Cc1cnc2ccccn12)N[C@H](Cc1ccncc1)[C@H]1C[C@H](O)C1 252527434 COKFSYTYWLIZHI-KBAYOESNSA-N 350.422 1.770 0 50 FDAA Cc1nc2nc(C)c(CCC(=O)N[C@H](CO)Cc3ccccc3)c(O)n2n1 252539654 OGPOUODLLDDSDG-HNNXBMFYSA-N 369.425 1.099 0 50 FDAA CCc1nc2ccccc2n1CCC(=O)N1CCN(S(C)(=O)=O)CC1 252481074 CHNCBKIQKAKPFN-UHFFFAOYSA-N 364.471 1.093 0 50 FDAA CCC1=NO[C@H](CNC(=O)c2ccc(-c3ccc(NCCO)nn3)cc2)C1 534675037 YYQVLKXTDHKDLU-INIZCTEOSA-N 369.425 1.833 0 50 FDAA O=C(c1ccc(Cn2ccnc2)o1)N1CC[C@H]2OCc3cnnn3[C@H]2C1 299788438 SLQGEUVRSXBYPP-LSDHHAIUSA-N 354.370 1.102 0 50 FDAA CC(C)C(=O)N1CCn2nc(CNC(=O)c3noc4c3CCCC4)cc2C1 299786009 SKFDQKPYKKVJAB-UHFFFAOYSA-N 371.441 1.678 0 50 FDAA CC(=O)Nc1ccc(CNC(=O)CN2CCC[C@@H](c3ncc[nH]3)C2)cc1 299790133 MCDAWYXYDIURSA-MRXNPFEDSA-N 355.442 1.864 0 50 FDAA CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)C(=O)NCc1cnc2cnccn12 584887139 QHRLHIWDLULXLG-AWEZNQCLSA-N 370.457 1.662 0 50 FDAA CN(C)c1ccc(C(=O)N[C@H]2COCC[C@@H]2OCc2ccccn2)cn1 1565511091 SAYDKQSDXAOARM-IRXDYDNUSA-N 356.426 1.647 0 50 FDAA COc1ccc2c(c1)C=C(CN1CC[C@H](Nc3ncccn3)[C@@H](O)C1)CO2 1565529971 FRSIRKXEIAFNRF-ROUUACIJSA-N 368.437 1.808 0 50 FDAA Cn1cccc1C(=O)C(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1ccccn1)C2 1565511470 UQWKVIDDSICNPQ-CABCVRRESA-N 366.421 1.366 0 50 FDAA CCNC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(OCC)c2)C1 952979669 RABORQIHFQLAJX-NSHDSACASA-N 360.863 1.885 0 50 FDAA Cc1ccnc(-n2nc(C)cc2NC(=O)N2CCO[C@@]3(CCOC3)C2)c1 278390600 DXFVQLXNYNTPKJ-SFHVURJKSA-N 357.414 1.907 0 50 FDAA CNC(=O)c1ccc(S(=O)(=O)NCC2(Cn3ccnc3C)CC2)cc1 1506396923 IBSIIVGZIYJNTE-UHFFFAOYSA-N 362.455 1.310 0 50 FDAA Cc1ccsc1C(=O)N1CCCN(C(=O)c2noc(C)c2CO)CC1 1529120049 RJJRKFJQSPLKIL-UHFFFAOYSA-N 363.439 1.834 0 50 FDAA Cc1oc(-c2ccccc2)nc1CC(=O)N1C[C@H]2COC[C@@H](C1)CN2C 1704306658 XQAOHBMGHYFNCO-WBVHZDCISA-N 355.438 1.982 0 50 FDAA O=C(c1ccccc1OCCc1ccccc1)N1C[C@H]2[C@@H](C1)C2(CO)CO 1772703786 DTLZNPUAGACUPN-KDURUIRLSA-N 367.445 1.981 0 50 FDAA Cc1cnc(C(=O)N2CCCN(Cc3nc(C(F)(F)F)no3)CC2)cn1 1772807818 BHHCDAPCPFDJGE-UHFFFAOYSA-N 370.335 1.535 0 50 FDAA Cc1ccccc1-c1noc(CCCC(=O)N2C[C@@H]3CNC[C@]3(CO)C2)n1 1772708051 CPDLPVCRFJIJCA-MGPUTAFESA-N 370.453 1.408 0 50 FDAA CN1CCN(C(=O)[C@@H]2CCCN(c3ccccn3)C2)CC12CCOCC2 1775984232 KTHNPVBBMBALMD-QGZVFWFLSA-N 358.486 1.621 0 50 FDAA CCC(CC)CN1CCC(n2cc(C(=O)NCCN(C)C)nn2)CC1 15067813 XDENHZAIZIHPED-UHFFFAOYSA-N 350.511 1.643 0 50 FDAA COCCN1CC[C@H](CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 150848524 ARBOURIQCVZJII-GFCCVEGCSA-N 366.405 1.952 0 50 FDAA O=C(c1cccs1)N1CCC(N2C[C@@H]3CCOC[C@]3(CO)C2)CC1 1857668940 CZPVYPHDJXKJEE-KBXCAEBGSA-N 350.484 1.684 0 50 FDAA COc1nccnc1N1CCC2(CC1)CC(=O)N(CC1CCC1)CCO2 1857688342 DTIXFGVOWAHFKF-UHFFFAOYSA-N 360.458 1.873 0 50 FDAA CN(CCn1cnc2ccccc21)c1cncc(C(=O)N2CCOCC2)n1 1857693083 HJCHBOJRQNHABV-UHFFFAOYSA-N 366.425 1.435 0 50 FDAA N[C@@H]1CCN(C(=O)Cn2nc(CC3CC3)nc2[C@H](N)Cc2ccccc2)C1 1857695511 MKBMYFRYHRTWOK-IAGOWNOFSA-N 368.485 1.033 0 50 FDAA CCc1nc(C[C@H]2CCCN(c3nc4ncccc4o3)C2)n(CC(=O)O)n1 1857711318 SXUGBDXUJATMFU-GFCCVEGCSA-N 370.413 1.920 0 50 FDAA COCCn1nnc([C@H]2CN(C(=O)c3ccc4[nH]ccc4c3)CCO2)n1 1857714804 MRGRCQWTFZUREJ-OAHLLOKOSA-N 356.386 1.015 0 50 FDAA O=C(NC[C@H]1[C@H]2CN(C(=O)C3CCC3)C[C@]23CC[C@H]1O3)c1cncc(F)c1 1857734323 PFEDAGAZCGLSNY-TVKQPGBESA-N 373.428 1.757 0 50 FDAA CC[C@H](C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1)N(C)C 331345730 LRMKUWAPIRYIAA-ZIAGYGMSSA-N 368.275 1.789 0 50 FDAA CN1CCO[C@H](C(=O)NC(C)(C)COc2ncccc2Br)C1 122226698 UTMLNRJUTVGKQT-LBPRGKRZSA-N 372.263 1.448 0 50 FDAA Cc1cc2ncc(C(=O)N3CC[C@](C(=O)O)(C(F)(F)F)C3)c(C)n2n1 261623706 GLXAAIVAXBKQPY-AWEZNQCLSA-N 356.304 1.825 0 50 FDAA NC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1ccc(OC3CCCC3)nc1)C2 952851129 VABAZTULHXOBSC-KUHUBIRLSA-N 359.426 1.367 0 50 FDAA Cc1ccc2cc(C(=O)NC[C@H]3C[C@H](c4nncn4C)C[C@H]3O)[nH]c2c1 952849652 ZLFHIWZIVNSBOW-JJRVBVJISA-N 353.426 1.889 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)NCc2c(C)nc3cc(O)nn3c2C)C1 1875371309 WSFKTFDGVNMXDD-ZDUSSCGKSA-N 357.414 1.093 0 50 FDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3nc(C(F)(F)F)no3)nn(C)c21 1875403882 ISBNMZTUJZVFPQ-RQJHMYQMSA-N 359.308 1.774 0 50 FDAA COc1ccc2c(C(=O)N[C@@H]3C[C@H](Cn4ccnc4)C[C@H]3O)cnn2c1 1875402599 IITMVLOUQKVZIG-XGWLTEMNSA-N 355.398 1.109 0 50 FDAA Fc1ccccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1 1423932 LCDDBBBRVNEXGG-UHFFFAOYSA-N 361.377 1.476 0 50 FDAA C[C@@H]1CNCC[C@H]1NC(=O)c1cnn(-c2ccc(Br)cc2)n1 2325755881 KUCVDHGOLFVNGZ-ZWNOBZJWSA-N 364.247 1.758 0 50 FDAA COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 641902 KVWWTCSJLGHLRM-UHFFFAOYSA-N 368.842 1.969 0 50 FDAA biogenic,in-vitro Nn1cnnc1S[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1 1115235 BDKOGRQYRYKVOL-CHWSQXEVSA-N 353.473 1.374 0 50 FDAA Cc1noc(-c2ccnc(N3C[C@H]4[C@@H](CN(C)C)[C@@H]5CC[C@@]4(C3)O5)c2)n1 2356140491 LCRXKXCCVBTKQK-DRMAHVMPSA-N 355.442 1.985 0 50 FDAA O=C1N[C@H](C(F)(F)F)CC[C@H]1C(=O)N1CCO[C@H](c2nccs2)C1 247405937 BUADEESJQBSMCZ-UTLUCORTSA-N 363.361 1.500 0 50 FDAA CC1=C(C(=O)NCCc2noc(C(C)C)n2)[C@@H](c2cccnc2)NC(=O)N1 67896185 GXIPASHWYWEQIQ-OAHLLOKOSA-N 370.413 1.575 0 50 FDAA CN1C[C@@H](C(=O)NCc2cccnc2N(C)Cc2ccccc2)CC1=O 67713885 ZOPWYMGKRGUCCM-KRWDZBQOSA-N 352.438 1.813 0 50 FDAA Cc1cc(NC(=O)CN(Cc2nccn2C)[C@@H]2CC23CCNCC3)on1 435694082 KROBNFAEWJUMEN-CQSZACIVSA-N 358.446 1.299 0 50 FDAA CCc1ccc(-n2cnnc2)cc1-n1ccnc1-c1cc2n(n1)CCNC2 72436171 CSLJYVPXJAJNSF-UHFFFAOYSA-N 360.425 1.982 0 50 FDAA CC[C@@H]1CCCCN1CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 252679133 IIEPXUUHPLZTRR-BRWVUGGUSA-N 372.531 1.446 0 50 FDAA CNc1nc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](N)[C@@H]3O)cs1 72135392 UBRSSIYALQEXCJ-CABCVRRESA-N 358.467 1.733 0 50 FDAA Cc1nc2c(c(N3CCC[C@@H](CO)C3)n1)CCN(Cc1cnc[nH]1)CC2 72420972 MUHZMDVKEFQYJG-OAHLLOKOSA-N 356.474 1.318 0 50 FDAA Cn1cncc1C(=O)N1CCC(N2CCC[C@@H](C(=O)NC3CC3)C2)CC1 71747777 QQLZEPKLGHDBBX-CQSZACIVSA-N 359.474 1.015 0 50 FDAA CCC(CC)N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2cnn(C)c2)[C@@H]3C1=O 77516702 DHKGIBVQGFVNRZ-XLSPSMHOSA-N 372.469 1.349 0 50 FDAA CCN1CCC[C@@H](CN(C)Cc2nc(COC)no2)[C@@H]1c1cnn(C)c1 328647991 UFKNSYQSXRSLHS-KBXCAEBGSA-N 362.478 1.855 0 50 FDAA Cc1nc2c(c(N3CCCN(C(=O)c4ccco4)CC3)n1)CCN(C)CC2 72430806 OVNVWIFWXGMBBF-UHFFFAOYSA-N 369.469 1.761 0 50 FDAA Cn1cnc2cc(C(=O)N3CCC(N4CCSCC4)CC3)ccc2c1=O 216353611 FDQIHLJDKRGLPS-UHFFFAOYSA-N 372.494 1.587 0 50 FDAA O=C(Cn1ncn2nccc2c1=O)N1CCC[C@@H]1COc1ccc(F)cc1 368485784 XMZUEDANOKGQIV-CQSZACIVSA-N 371.372 1.100 0 50 FDAA CC[C@H](C)[C@@H](N)C(=O)NCc1cc2c(nc1OC)CN(C1CCCC1)C2=O 71749225 MYJCAZWYDSVLRV-YVEFUNNKSA-N 374.485 1.978 0 50 FDAA Cc1ccncc1C(=O)N1CCC(N2CCC[C@@H](C(=O)NC3CC3)C2)CC1 71419040 BNQIOBBWXHLNRJ-MRXNPFEDSA-N 370.497 1.985 0 50 FDAA O=C1OCc2ccc(S(=O)(=O)NC[C@@]3(O)CCc4ccccc43)cc21 372138617 RINOFQFKLSICPD-SFHVURJKSA-N 359.403 1.469 0 50 FDAA Nc1ncccc1CN1CCC(N2CCC(C(=O)N3CCCC3)CC2)CC1 71748473 USSBCEVJCBWRHF-UHFFFAOYSA-N 371.529 1.963 0 50 FDAA CNC(=O)c1cncc(/C=C/C(=O)N2CC[C@@H](O)c3ccccc3C2)c1 374683141 OOXDADAKHFTZNY-IPLHWJFFSA-N 351.406 1.920 0 50 FDAA O[C@@]1(CN2CCCC2)COCCN(c2nnc(-c3ccccc3)s2)C1 77287886 VKGDOLHSOWJKSY-GOSISDBHSA-N 360.483 1.869 0 50 FDAA Cn1c(C(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)cccc1=O 378272799 PMOWFPDBAGFQGN-UHFFFAOYSA-N 361.486 1.929 0 50 FDAA O=C(O)C[C@@H]1CN(C(=O)c2nn(-c3ccccc3F)c3c2CCC3)CCO1 238200930 RGFIEHNJGBXTQW-GFCCVEGCSA-N 373.384 1.816 0 50 FDAA CCn1c(CC2CCN(C(=O)c3ccc(C(C)C)[nH]c3=O)CC2)n[nH]c1=O 71440054 OLRGBUZAQMNUJS-UHFFFAOYSA-N 373.457 1.498 0 50 FDAA COc1ccccc1N1CCN([C@@H]2CCCN(CC(=O)NC3CC3)C2)CC1 72160984 JMTJDIGJSDOLSF-GOSISDBHSA-N 372.513 1.560 0 50 FDAA C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1nncn1C 47316990 VRTINKBUJDUGGT-GFCCVEGCSA-N 363.443 1.091 0 50 FDAA CNC(=O)Cn1cnc(NC(=O)C(C)(C)c2cccc(C(F)(F)F)c2)n1 174722140 CJYYJULVBOUKBU-UHFFFAOYSA-N 369.347 1.959 0 50 FDAA O=C(Cc1ccc(-n2cnnn2)cc1)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 222477763 DHQHLQCLBHWSKK-NBYUQASBSA-N 367.453 1.915 0 50 FDAA CN(C)C(=O)N1CCCn2nc(CNC(=O)NCc3ccccc3)cc2C1 82107044 GMKZGYWKIYWLJM-UHFFFAOYSA-N 370.457 1.770 0 50 FDAA CN1CC(=O)N(CC(=O)NC[C@@H]2CCCCN(Cc3ccccc3)C2)C1=O 291314117 UXWLPJMBMYKZLI-KRWDZBQOSA-N 372.469 1.299 0 50 FDAA COc1ccc(C2(C(=O)N3C[C@H](O)[C@@H](N4CCOCC4)C3)CCCC2)cc1 222281792 ZXYOPMSYVFOSPG-OALUTQOASA-N 374.481 1.411 0 50 FDAA COc1cccc(C(=O)NCCC(=O)N2Cc3nc(C)nc(O)c3C2)c1 426535933 RMADAFRBXZPXNM-UHFFFAOYSA-N 356.382 1.162 0 50 FDAA COc1nc2ccccc2nc1CCC(=O)N1CCN(C)[C@@H](CCO)C1 426382683 KYGBBTMSXJYYSQ-AWEZNQCLSA-N 358.442 1.096 0 50 FDAA Cc1nn(C)cc1CN1C[C@@H]2CC[C@H](C1)N(Cc1c(C)noc1C)C2=O 95506247 WTHCNNMRRABHGB-DOTOQJQBSA-N 357.458 1.956 0 50 FDAA COCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1-c1nnn[nH]1)C2 95365258 WQCURIRGYVEEQB-ZIAGYGMSSA-N 356.430 1.050 0 50 FDAA COc1c(C)cc(C)cc1CN1C[C@H](CO)[C@H](CN2CCC(O)CC2)C1 95379095 KZHOZHRSUAUZSB-RTBURBONSA-N 362.514 1.809 0 50 FDAA CCN(CCO)C[C@@H]1CN(C(=O)c2cc(F)cc(Cl)c2)C[C@@H]1CO 92001988 ZPXWYTBNKCUZPN-ZIAGYGMSSA-N 358.841 1.474 0 50 FDAA Cc1nccn1Cc1nnc([C@@H]2CCCN(Cc3cnn(C)c3C)C2)n1C 95362641 HHEUWDBVMUASCR-MRXNPFEDSA-N 368.489 1.790 0 50 FDAA O=C(Nc1ccc2nncn2c1)[C@H]1CCCN1C(=O)Cc1cccs1 180693483 VFLYBJSNDARAFU-CQSZACIVSA-N 355.423 1.963 0 50 FDAA COCCN1C[C@H](Nc2nc(C)nc3c2Cc2ccccc2OC3)CC1=O 97797590 XIZODLQDBZSQOY-OAHLLOKOSA-N 368.437 1.927 0 50 FDAA COc1ccc([C@H](N)CC(=O)NCc2cnn3cccnc23)cc1OC 243919591 BPKCCFOMWXITGP-CQSZACIVSA-N 355.398 1.453 0 50 FDAA CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)Cc2ccc(N(C)C)cc2)C1 244899699 ZOHDRNVGXWGLFB-SHTZXODSSA-N 357.458 1.461 0 50 FDAA Cc1c(C)[n+]([O-])c([C@H](c2cccnc2)C2C(=O)OC(C)(C)OC2=O)n1C 263587965 NQNHLIXIEHVHFO-CYBMUJFWSA-N 359.382 1.255 0 50 FDAA NCCCOc1ccc(C(=O)N2C[C@H](O)[C@@H](N3CCCC3)C2)cc1Cl 299787199 VOIAHFIBQGOYJH-HOTGVXAUSA-N 367.877 1.349 0 50 FDAA CC(=O)c1c(C)nn(CCC(=O)N2CC[C@@H]3OCc4cnnn4[C@H]3C2)c1C 299787843 RVAMVUILNNEZOX-HOTGVXAUSA-N 372.429 1.057 0 50 FDAA Cc1ccc2nc(CN3CC[C@@H](NC(=O)c4cc(C)on4)[C@H](O)C3)cn2c1 299771103 ZRURBBPWBUHGAL-NVXWUHKLSA-N 369.425 1.304 0 50 FDAA COCCn1cncc1CNC(=O)c1cn2c3c(cccc3c1=O)CC2 299790185 ARXLIOBKPWYCOX-UHFFFAOYSA-N 352.394 1.331 0 50 FDAA COc1ccc(-c2cc(CNC(=O)N3CCS(=O)(=O)CC3)no2)cc1 584886160 FFMVXDNIZZXIMS-UHFFFAOYSA-N 365.411 1.290 0 50 FDAA COc1ccc(F)c(CN2CC[C@H](NC(=O)c3ccccn3)[C@@H](O)C2)c1 1565529972 IQSNXXWKAAMODY-WMZOPIPTSA-N 359.401 1.595 0 50 FDAA C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NCCOc1ccc2c(c1)CCC2 170633389 VVPUCXCJEVOJAQ-UONOGXRCSA-N 366.483 1.771 0 50 FDAA Cc1nnc(S)n1CCNC(=O)[C@H]1COc2ccc(Cl)cc2C1 170644521 DYLVXQWXSVPMQH-LLVKDONJSA-N 352.847 1.896 0 50 FDAA C[C@H](O)C[C@@H]1CCCCN1C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 279133029 BJHNUUBWQBASQM-ODYMNIRHSA-N 359.426 1.507 0 50 FDAA O=C1CCCC[C@H]1[C@H]1COCCN1C(=O)CN1C(=O)CCc2ccccc21 273950424 YBYIUORDODLZGO-FUHWJXTLSA-N 370.449 1.953 0 50 FDAA Cc1noc([C@H]2C[C@@H](O)CN2C(=O)c2cc(Cl)c3c(c2)OCO3)n1 275452535 SWPQDIXLDOTQGE-MWLCHTKSSA-N 351.746 1.708 0 50 FDAA COC[C@@H](O)CN1CCC2(CC1)C[C@H]2N(Cc1ccsc1)C(C)=O 276469095 NLUABNVTZQAQGH-DLBZAZTESA-N 352.500 1.958 0 50 FDAA COc1ccccc1C[C@H]1CCCN1C(=O)Cc1nc2ncccn2n1 195030375 MJMDWFOLBUYQQH-OAHLLOKOSA-N 351.410 1.909 0 50 FDAA c1ccc(-c2ccc(Cn3[nH]nnc3=NCCN3CCNCC3)cc2)cc1 1506418522 QKPAFUQWZUICPL-UHFFFAOYSA-N 363.469 1.127 0 50 FDAA Cc1nonc1CC(=O)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704341606 XRSACRNEQVLCAM-KDOFPFPSSA-N 352.394 1.531 0 50 FDAA CO[C@H]1CN(C(=O)Cc2c(C)nc(C)nc2O)C[C@H]1Cc1cc(C)no1 1704345227 TXRBPAHIPVMZPI-CJNGLKHVSA-N 360.414 1.354 0 50 FDAA Cc1ccc(C(=O)N2CC[C@H]3[C@@H](C2)CN3C(=O)c2cscn2)c(=O)n1C 1775979306 SPPCYNGJBSWUIX-WFASDCNBSA-N 372.450 1.137 0 50 FDAA CCOC(=O)C1(CCOc2ccccc2)CCN(C[C@H](O)CO)CC1 12301120 YBFNUGGINKMXIN-INIZCTEOSA-N 351.443 1.454 0 50 FDAA CCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3sccc3Cl)CN2C1=O 14541989 BYADAFGFGFFHTN-LSJOCFKGSA-N 355.847 1.399 0 50 FDAA CCOc1ccc(OCC)c(S(=O)(=O)NCCCN2CCOCC2)c1 19848210 WMEKQFKMRCGLAJ-UHFFFAOYSA-N 372.487 1.485 0 50 FDAA O=C(N[C@H]1C[C@H](Cn2ccnc2)C[C@@H]1O)c1ccc(-c2cn[nH]c2)cc1 1857527001 DNEKPGOWGKAVQK-KKXDTOCCSA-N 351.410 1.843 0 50 FDAA O=C(C[C@H]1CCCN(c2nc3ncccc3o2)C1)NCCc1cn[nH]c1 1857669211 LLBJMPHNVAYFMA-CYBMUJFWSA-N 354.414 1.911 0 50 FDAA O=C(c1nn(Cc2ccccc2)c2ncccc12)N1CC[C@H](CO)[C@H](O)C1 1857709954 ABHRWQFQFLSTCE-NVXWUHKLSA-N 366.421 1.295 0 50 FDAA CCCNC(=O)N1C[C@@H]2[C@H](CNC(=O)c3cccnc3C)[C@H]3CC[C@]2(C1)O3 1857718227 PELVHZUYNNSILA-TVKQPGBESA-N 372.469 1.719 0 50 FDAA COCCC[C@@]1(CO)CN(C(=O)COCc2ccccc2)CC[C@H]1O 1857737688 YVTHZVFHDKRLGG-MJGOQNOKSA-N 351.443 1.202 0 50 FDAA CCCc1nnc(N2C[C@@H](C(=O)NCC[C@H]3C[C@@H](O)C3)CC2=O)s1 1857739578 WCZFGEUQWSPPCZ-SDDRHHMPSA-N 352.460 1.121 0 50 FDAA CC(C)[C@H]1CN(S(=O)(=O)N2CCN(C)CC2)C[C@@H](c2ccccc2)O1 1875251398 FYDZWKNAJAMPMO-MSOLQXFVSA-N 367.515 1.577 0 50 FDAA CN1CCN(CC2(C)CCN(S(=O)(=O)C[C@H]3CCCCO3)CC2)CC1 329790953 UGSDZICVNZDALX-QGZVFWFLSA-N 373.563 1.235 0 50 FDAA CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)Cc2ccc3c(c2)CCO3)C1 332287674 XMBYOUQABSWYPB-HNNXBMFYSA-N 352.456 1.093 0 50 FDAA COC(=O)[C@@H]1C[C@H](O)CCN1S(=O)(=O)c1c(C)cc(OC)c(C)c1C 247903508 GUMAFZNOICNETN-KGLIPLIRSA-N 371.455 1.307 0 50 FDAA Cc1cc(C)cc(S(=O)(=O)N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)c1 1704304286 PWNSIFWKHIHCAN-QZTJIDSGSA-N 352.500 1.771 0 50 FDAA Nc1ccnc(CN(C(=O)c2n[nH]c3c2CCCC3)[C@H]2CCCNCC2)n1 821857996 MLVDXLQTKYVONF-ZDUSSCGKSA-N 369.473 1.445 0 50 FDAA C=CC(=O)NCCC(=O)N[C@@H](C(=O)OCC)[C@H](O)c1ccc(Cl)cc1 862328500 CGXQDCGLCNEVCW-HZPDHXFCSA-N 368.817 1.114 0 50 FDAA Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)N2[C@H]3CC[C@H]2COC3)c1 952853047 XLEJJFPNAAMPFY-GJZGRUSLSA-N 367.471 1.155 0 50 FDAA COCCCCS(=O)(=O)N1CCc2nnc(-c3ccncc3)cc2C1 952892541 IALQPERONDEKAX-UHFFFAOYSA-N 362.455 1.653 0 50 FDAA Nc1nnc([C@@]23COC[C@@H]2CN(C(=O)C2(c4ccccc4F)CC2)C3)o1 952848654 IJYNNBGWJJGQGF-VOJFVSQTSA-N 358.373 1.249 0 50 FDAA Cc1ccnc(N2CCN(C(=O)Nc3cn([C@H]4CCOC4)nn3)CC2)c1 1875296837 RFHANWWSQIOZCM-AWEZNQCLSA-N 357.418 1.297 0 50 FDAA Cc1ccc(N2CCN(C(=O)c3c4c(nn3C)[C@H](C)O[C@H](C)C4)CC2=O)o1 1875314872 XQYIOQJGIWXMLX-OLZOCXBDSA-N 372.425 1.833 0 50 FDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(Oc4cnccn4)CC3)n[nH]c21 1875395175 PKLQGMBIKAMDIQ-NEPJUHHUSA-N 357.414 1.906 0 50 FDAA Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@@H]1CCc2cc(CN)ccc21 1875359517 GURIUAAQCNCZJS-CQSZACIVSA-N 352.394 1.711 0 50 FDAA C=CC(=O)N1CCN(C(=O)[C@H]2CCC[C@@H](N=c3cncc[nH]3)C2)[C@@H](C)C1 1875380895 DHOYYWPSFQBDOP-HRCADAONSA-N 357.458 1.115 0 50 FDAA CCc1nc([C@@H]2COC[C@@H]2NC(=O)c2cc(C(F)(F)F)nn2C)n[nH]1 1875401276 HUFQVWGNQUXQJE-SFYZADRCSA-N 358.324 1.032 0 50 FDAA Cc1ncc(F)c(N[C@@]23CC[C@@](CNC(=O)c4cccn4C)(C2)OC3)n1 1875407858 JEEGOYCLTKUUDD-ROUUACIJSA-N 359.405 1.796 0 50 FDAA CC[C@](NC(=O)[C@H](C)N1CCN(C)CC1)(C(=O)O)c1ccc(Cl)cc1 887557386 KMHOWHKBVOIFNY-SCLBCKFNSA-N 367.877 1.782 0 50 FDAA O=C(N1CCn2c(nn(CC(F)F)c2=O)C1)C1(c2cccc(F)c2)CC1 888091088 AQQVLTJWTUAPPV-UHFFFAOYSA-N 366.343 1.523 0 50 FDAA Cc1n[nH]c(C)c1CC(=O)NC[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 888102971 XJPQRMSDCJIRIW-ACJLOTCBSA-N 358.446 1.028 0 50 FDAA O=S1(=O)N[C@H](CNc2cc(C(F)(F)F)cc3ncnn23)CC12CC2 2325802463 ISYWOTZLTFTUEU-VIFPVBQESA-N 361.349 1.384 0 50 FDAA O=C1N[C@H](Cc2cnc3ccccc3c2)C(=O)N2CC3(CCC3)OC[C@@H]12 2325809002 QLNBFULZWSAMDG-SJORKVTESA-N 351.406 1.426 0 50 FDAA COc1ccc(F)c2c1C[C@H](c1nc(-c3cn(C)c(=O)nc3O)no1)N2 2325820516 UHRGACVYFBCREA-SNVBAGLBSA-N 359.317 1.393 0 50 FDAA CC(=O)N1CC[C@@H](N2CCN(C(=O)c3cnc4n3CCC[C@H]4C)CC2)C1 2325849477 QJOVKLFQLJGCFW-GDBMZVCRSA-N 359.474 1.159 0 50 FDAA CN(C)S(=O)(=O)c1ccc(F)c(NS(=O)(=O)c2cncs2)c1 2325865086 MLZBKHRCAMWYFB-UHFFFAOYSA-N 365.433 1.333 0 50 FDAA C=CC(=O)NCC(=O)N1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 2325888554 DECBTEPASQVBSU-UHFFFAOYSA-N 364.833 1.627 0 50 FDAA Cc1cc(C)c(-n2cccn2)c(CN2CC[C@H](O)[C@@]3(CCCNC3=O)C2)c1 2356155629 KNBZHXRLONVKPN-GHTZIAJQSA-N 368.481 1.952 0 50 FDAA COc1ccc(C(=O)NCCC(C)C)cc1S(=O)(=O)N1CCOCC1 2621611 KSMBCWURLSZHNG-UHFFFAOYSA-N 370.471 1.492 0 50 FDAA CCS(=O)(=O)N1CCC(C(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)CC1 2953424 DYDLHKBASLPSIX-HOTGVXAUSA-N 373.563 1.532 0 50 FDAA Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCN1CCC[C@@H](C)C1 10233895 BFGNWXNUWDBKAR-LLVKDONJSA-N 358.446 1.025 0 50 FDAA Cc1ccc(C)c(NC(=O)CC(=O)NCCCN2CCCC[C@H]2CO)c1 55269978 NBWNNZVCYBMXCT-KRWDZBQOSA-N 361.486 1.985 0 50 FDAA CN1CCn2nc(C(=O)N(C)Cc3noc(-c4ccccc4)n3)cc2C1 65381150 ONHXREWZOUGEFT-UHFFFAOYSA-N 352.398 1.651 0 50 FDAA CCn1c([C@@H]2CCCN(C(=O)c3csc(SC)n3)C2)nn(C)c1=O 67878072 UQEPVJQICGSNPB-SNVBAGLBSA-N 367.500 1.800 0 50 FDAA COCCN1C[C@@H](C(=O)NCc2ccccc2-n2ccnc2)CCC1=O 23250354 MROOBKODRIQBRT-INIZCTEOSA-N 356.426 1.374 0 50 FDAA CN(C)CCN1C[C@H](C(=O)N2CCC(c3cccc(O)c3)CC2)CC1=O 65406570 ITUHARLSBCHTGJ-QGZVFWFLSA-N 359.470 1.508 0 50 FDAA CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C(=O)N(C)C)cc2)C1 65365087 TZXYULGFVPFVQF-AWEZNQCLSA-N 367.471 1.389 0 50 FDAA CCn1c([C@@H]2CCCN(C(=O)c3ccc4cccnc4n3)C2)nn(C)c1=O 67773802 UTJSEPYQJSSUAQ-CQSZACIVSA-N 366.425 1.565 0 50 FDAA CCc1ncc2c(n1)CN(C(=O)CCc1c(C)nc3ncnn3c1C)CC2 119308002 LNFRKZNVKIXNIS-UHFFFAOYSA-N 365.441 1.611 0 50 FDAA COc1cc(C)sc1C(=O)N1CCOC[C@@](O)(CN2CCCC2)C1 77471853 CUCSWTQMIPQTTD-QGZVFWFLSA-N 354.472 1.364 0 50 FDAA O=C(N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1)c1n[nH]c2c1CCCC2 72144063 KSAVOTIYRXCRCA-CQSZACIVSA-N 356.401 1.959 0 50 FDAA Cn1c(-c2ccc(F)cc2)cn2cc(C(=O)N3CCCNCC3)nc2c1=O 72436344 XSSDWRMCPFBNAS-UHFFFAOYSA-N 369.400 1.275 0 50 FDAA CCOCCn1c(=O)[nH]c2cc(C(=O)NC3CCN(C(C)=O)CC3)ccc21 77454385 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CC(C)S(=O)(=O)N1CCC(NC(=O)c2nn(C)c3c2CCCC3)CC1 332279934 HKVXAIRFHVFZOC-UHFFFAOYSA-N 368.503 1.231 0 50 FDAA Cc1cccc(=O)n1CCCNC(=O)Cn1nnc(-c2ccc(F)cc2)n1 219275085 ZCBVNEBQWGHMLP-UHFFFAOYSA-N 370.388 1.156 0 50 FDAA O=C([C@H]1CCc2ccccc2O1)N1CCC(C(=O)O)(n2cccn2)CC1 72480209 JVMMDTDXIORPJF-MRXNPFEDSA-N 355.394 1.679 0 50 FDAA CC(C)c1nnc2n1CCN(C(=O)c1cn(Cc3ccccn3)nn1)[C@@H]2C 333289144 KSASEEPUYSHCGT-CYBMUJFWSA-N 366.429 1.653 0 50 FDAA Cc1nc2cc(O)nn2c(C)c1CCC(=O)N[C@@H]1CCc2c[nH]nc2C1 374561383 RIMUUHOZKLCGDT-CYBMUJFWSA-N 354.414 1.381 0 50 FDAA CC(C)[C@H](C(=O)N1CCC[C@@H](C(=O)O)C1)n1nnc(-c2ccccc2)n1 128560145 JNIGSHGWHGWTNQ-HUUCEWRRSA-N 357.414 1.860 0 50 FDAA Cc1cc(=O)[nH]c(SCC(=O)N2CCCC[C@H]2CCn2cccn2)n1 77516782 HHIHOBHJYAUQAW-AWEZNQCLSA-N 361.471 1.838 0 50 FDAA CCc1nc(SCC(=O)N2CCc3nc(-c4cn[nH]c4)[nH]c3C2)n[nH]1 215310737 FIGMZEBKOBOQHY-UHFFFAOYSA-N 358.431 1.157 0 50 FDAA O=C(c1ccc(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)cc1)N1CCOCC1 77337967 QULMKOKFDCVFLP-KRWDZBQOSA-N 368.437 1.902 0 50 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FDAA CC(=O)C(=O)N1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 95518451 AIAFNIKXEWXYPH-KRWDZBQOSA-N 372.469 1.338 0 50 FDAA NS(=O)(=O)c1ccc(F)c(C(=O)N2CCO[C@H](c3ccccc3)C2)c1 91636331 XEDFZLFTDVKXPZ-INIZCTEOSA-N 364.398 1.687 0 50 FDAA CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCCOc1ccccc1)C2 95356713 JULYISOOLUOUTA-JKSUJKDBSA-N 366.483 1.728 0 50 FDAA O=C1CCC2(CCN(C(=O)[C@@H]3C=CCN3)CC2)CN1CCc1ccncc1 91819900 GEZSMLDXOAIIPY-SFHVURJKSA-N 368.481 1.383 0 50 FDAA COCCn1cnnc1[C@@H](C)NC(=O)c1cc2cc(OC)ccc2n1C 91526660 MPXUAZWERGUTQX-GFCCVEGCSA-N 357.414 1.916 0 50 FDAA O=C1C[C@H](C(=O)O)C2(CCN(C(=O)Nc3ccccc3Cl)CC2)N1 95357592 WQVVXUZLDMOJHI-SNVBAGLBSA-N 351.790 1.927 0 50 FDAA Nc1[nH]nc(C(=O)N2C[C@H](CO)[C@H](CN3CCCCCC3)C2)c1Cl 91665342 MQJQDIXFAGRXJE-VXGBXAGGSA-N 355.870 1.202 0 50 FDAA CC(=O)N1CCCN(C(=O)Nc2ccccc2CN2CCOCC2)CC1 95521847 KIIBYNVQSXFRSW-UHFFFAOYSA-N 360.458 1.605 0 50 FDAA COc1ccc(OC)c(-c2cc(C(=O)N[C@@H](CO)CCSC)n[nH]2)c1 252540516 PJVMPCVMYHQYBE-LLVKDONJSA-N 365.455 1.938 0 50 FDAA 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1.979 0 50 FDAA O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCS(=O)(=O)C1 68140729 LDURQTCBPCCCRW-LLVKDONJSA-N 369.830 1.483 0 50 FDAA CCN1CCN([C@@H]2c3ccccc3C3(CCN(CC(=O)O)CC3)[C@H]2O)CC1 20451798 WMDGXXSLORUTPO-UXHICEINSA-N 373.497 1.158 0 50 FDAA CN1CCC(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)CC1 65365888 BQRBAAQSYHGTTD-UHFFFAOYSA-N 359.879 1.316 0 50 FDAA CN(C)S(=O)(=O)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 11842949 UNOVSNMPNYHQNU-KRWDZBQOSA-N 369.462 1.447 0 50 FDAA Cc1nc(C2CCN(CC(=O)NC3CC3)CC2)cc(N2CCOCC2)n1 72473763 YYNYQKABHDXDDO-UHFFFAOYSA-N 359.474 1.080 0 50 FDAA CN(C)Cc1nnc([C@@H]2CCCN(C(=O)c3cccc(N(C)C)c3)C2)n1C 72406833 UFHCKWHYNALIBE-MRXNPFEDSA-N 370.501 1.963 0 50 FDAA Cc1nn(C)c2nc(-c3ccccn3)nc(NCCc3nnc(N)s3)c12 72474273 ZCVYXUVIHXAICX-UHFFFAOYSA-N 367.442 1.822 0 50 FDAA CCc1cc(N2CCN(c3ncccc3C(N)=O)CC2)n2nccc2n1 72419996 OTGURQHKHZWYLH-UHFFFAOYSA-N 351.414 1.112 0 50 FDAA Cn1cc([C@@H]2CN(S(=O)(=O)Cc3cccc(F)c3)C[C@H]2CO)cn1 328631819 RJPATYODBHODLE-HOCLYGCPSA-N 353.419 1.097 0 50 FDAA 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0 50 FDAA CNC(=O)[C@]1(C)CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)C1 288177399 PZGMUQGGQCSZGM-RIFZZMRRSA-N 358.486 1.817 0 50 FDAA O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1cn2ccsc2n1 223061174 YIEGGZOJYHZDPI-DGCLKSJQSA-N 364.452 1.956 0 50 FDAA O=C(NCCCn1ccc2ccccc21)N1CCN(c2nc[nH]n2)CC1 426649709 PQBBMYGCVFASEA-UHFFFAOYSA-N 353.430 1.681 0 50 FDAA O=C(O)c1cn(CCc2ccccc2)cc(C(=O)NC[C@@H]2CCCN2)c1=O 426388191 SALGBYUOIFGHIM-HNNXBMFYSA-N 369.421 1.271 0 50 FDAA CCC(=O)NCc1cc2n(n1)CCN(C[C@@H]1CC(c3ccccc3)=NO1)C2 426383354 SSEVJVWVFUTUEN-SFHVURJKSA-N 367.453 1.918 0 50 FDAA NC(=O)Cn1ccnc1C1CCN(C(=O)c2ccc3nccnc3c2)CC1 95497675 HGQBLTVFFVFIBW-UHFFFAOYSA-N 364.409 1.331 0 50 FDAA O=C(Cn1cnc2ccc(Br)cc2c1=O)NC[C@H]1CCCN1 178738155 GJORGXLXDVOBMX-LLVKDONJSA-N 365.231 1.027 0 50 FDAA CC(=O)Nc1cccc(C(=O)N2CCC[C@@H](c3nccn3CC(N)=O)C2)c1 95507186 BHILTQGGEITYHE-OAHLLOKOSA-N 369.425 1.347 0 50 FDAA Cc1cc(C)n(CCNC(=O)c2cnc(Nc3ccccc3)nc2)c(=O)n1 95381509 TXGIUNVJTXBRFF-UHFFFAOYSA-N 364.409 1.824 0 50 FDAA 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COc1ccccc1-n1cc(C(=O)N[C@@H](Cc2ccco2)C(=O)O)cn1 95519976 ZENIGGRCGVBXGB-AWEZNQCLSA-N 355.350 1.900 0 50 FDAA CC(=O)N1C[C@H]2CN(Cc3cc(=O)c4cccc(F)c4[nH]3)C[C@@]2(C(=O)O)C1 96160113 WTIUZJSVPOHPJM-CWTRNNRKSA-N 373.384 1.032 0 50 FDAA CC1(C)CN(C(=O)c2ccccc2N2CCC(=O)NC2=O)CC[C@]1(C)O 91745631 IBEHTOKHNPEQAF-IBGZPJMESA-N 359.426 1.756 0 50 FDAA O=C(N[C@@H]1CCOC1)c1cccc(S(=O)(=O)NCC2=CCCCC2)c1 95392035 YXRMOSQMXOVILG-MRXNPFEDSA-N 364.467 1.984 0 50 FDAA CNc1cc([C@H]2C[C@@H](NS(=O)(=O)c3ccc(F)cc3F)C2)nc(N)n1 243902098 BFWKSSKMYKFPFW-WAAGHKOSSA-N 369.397 1.603 0 50 FDAA O=C(N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)c1cc2ncccn2n1 243919578 BPEKHCAKBKSUED-ZRGWGRIASA-N 364.405 1.906 0 50 FDAA C[C@@H]1O[C@H](C)CN2c3ccccc3CC3(C(=O)N(C)C(=S)N(C)C3=O)[C@@H]12 245254811 CFIFAECYAJHWBB-TYNCELHUSA-N 373.478 1.427 0 50 FDAA CCOC(=O)C1CCN(C(=O)C[C@H](C)NCc2nnc3ccccn23)CC1 183815840 BCFLXZAQFXLUMH-AWEZNQCLSA-N 373.457 1.399 0 50 FDAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2ccc3ncccc3c2)c1O 253624009 YXCLKNRBHQBWRD-LBPRGKRZSA-N 367.361 1.835 0 50 FDAA biogenic Cn1ccnc1[C@@H](O)C1CCN(C(=O)CCn2cc(Cl)cn2)CC1 269412967 FWSQXQHVMFJRLB-HNNXBMFYSA-N 351.838 1.632 0 50 FDAA C[C@H](NC(=O)Cc1ccc(-n2cnnn2)cc1)c1nncn1C1CCCC1 299789398 ZJXIIXUWSYXJGS-ZDUSSCGKSA-N 366.429 1.789 0 50 FDAA CO[C@@]12CC[C@H](Oc3ccccn3)C[C@@H]1N(C(=O)c1c[nH]c(=O)[nH]1)CC2 299774009 HUQBZLRZTPTKBU-XAYKYTGQSA-N 358.398 1.329 0 50 FDAA Cc1nnnn1-c1cccc(NC(=O)[C@@H]2CN(C)c3ccccc3O2)c1 827764152 UKXOELKOUOCUEU-KRWDZBQOSA-N 350.382 1.807 0 50 FDAA Cc1nc(O)nc(O)c1CC(=O)N(C)Cc1c[nH]nc1-c1ccc(F)cc1 952982346 GTSSITVXHFNIKJ-UHFFFAOYSA-N 371.372 1.927 0 50 FDAA Cc1cc(C)n(CCC(=O)N2C[C@@H]3CN(CC4CCC4)C[C@]3(C(=O)O)C2)n1 1565508502 PUUIFBNGOIECRU-PXNSSMCTSA-N 374.485 1.535 0 50 FDAA Cc1nc2ncnn2c(C)c1CCC(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 268942293 MCZOZRMAILXOGT-BMFZPTHFSA-N 371.441 1.918 0 50 FDAA CN1CCN(C2(CNC(=O)/C=C/c3cnc(N(C)C)nc3)CCCC2)CC1 952980243 YTLVNOOPVPRROZ-VOTSOKGWSA-N 372.517 1.232 0 50 FDAA COc1ccc(CCNC(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c(Cl)c1 186458697 CUBVSWJWVSENGU-ZIAGYGMSSA-N 369.893 1.988 0 50 FDAA Cc1ccc(-n2cc(NC(=O)CCN3CCCS3(=O)=O)cn2)c(C)c1 190264546 OYYBLJGCVNCUFV-UHFFFAOYSA-N 362.455 1.853 0 50 FDAA Cc1nc(C(=O)N[C@@H](C)Cc2ccco2)nn1-c1n[nH]c(C(F)(F)F)n1 747359997 OVLZVVRCLMAQMD-ZETCQYMHSA-N 369.307 1.667 0 50 FDAA CC(=O)N1C[C@@H](C(=O)N2CCC(n3ccnn3)CC2)Oc2ccccc21 764988655 AYEDJAYPNHTAHX-KRWDZBQOSA-N 355.398 1.256 0 50 FDAA Cc1nc(COC(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)no1 795839116 ZEFVMFBKJQPYEC-CYBMUJFWSA-N 361.276 1.053 0 50 FDAA CCN1CCN(CCOc2ccc(CN3C[C@H](O)[C@@H](F)C3)cc2)CC1 1616107819 QANVOMDARSMLCI-OALUTQOASA-N 351.466 1.218 0 50 FDAA Cc1cc(CC(=O)Nc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)on1 1506399453 NUXTULDMNOSLCL-LBPRGKRZSA-N 352.416 1.337 0 50 FDAA O=C(c1nnc2n1CCCCC2)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 1506397736 WWJRZTSRFQFZPS-KRWDZBQOSA-N 363.425 1.911 0 50 FDAA CCOC(=O)COc1c(Cl)cc(/C=C2/NC(=O)NC2=O)cc1OC 1166639 DVBBXCINPMFKBQ-BJMVGYQFSA-N 354.746 1.471 0 50 FDAA COc1ccccc1-c1c(C)nn(C)c1NC(=O)CCNS(C)(=O)=O 1529190159 FRFONROWTDFHJP-UHFFFAOYSA-N 366.443 1.282 0 50 FDAA O=C1CCCCN1CC(=O)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1529182665 YVHDQCOEJXUIER-VQIMIIECSA-N 367.449 1.609 0 50 FDAA Cc1cnc(C)c(N2CCN(c3nccc(N4CCC[C@@H](O)C4)n3)CC2)n1 1704340178 PEKUKRAMMRMFRU-MRXNPFEDSA-N 369.473 1.171 0 50 FDAA Cc1nc(O)cc(CN2CC[C@](Cc3ccccc3)(C(=O)O)[C@@H](O)C2)n1 1704313108 FSMAQXQBCRGEIV-QFBILLFUSA-N 357.410 1.371 0 50 FDAA Cc1ncc(CN(CCO)C(=O)Cc2cc3c(cc2Cl)OCCO3)[nH]1 1704325336 KITFOWFIEBRTBN-UHFFFAOYSA-N 365.817 1.706 0 50 FDAA COC[C@@H]1CCN(Cc2c(C(=O)N3CCOCC3)nc3c(C)cccn23)C1 12433542 LPGIRULKBFGIDR-MRXNPFEDSA-N 372.469 1.583 0 50 FDAA CC1=C(C(=O)OCc2ccccc2)[C@]2(O)C(=O)c3ccccc3[C@]2(O)N1 19314663 LKDGRJVHRHMMDN-VQTJNVASSA-N 351.358 1.380 0 50 FDAA COc1ccc(Br)c2c1CN(C(=O)C[C@H]1CNC[C@@H]1O)CC2 1857531652 LBCIZCARSZATIU-HZMBPMFUSA-N 369.259 1.313 0 50 FDAA COc1ccc(-c2ccc(C(=O)N3CC[C@H](CO)[C@@H](O)C3)c(O)n2)cc1 1875250001 QIVNUIJELWCKNY-DYVFJYSZSA-N 358.394 1.278 0 50 FDAA CS(=O)(=O)N[C@@H]1CCCC[C@@H]1N[C@@H]1CCN(c2ccccc2)C1=O 252540567 PMZOHFPHDANUMC-ARFHVFGLSA-N 351.472 1.242 0 50 FDAA Cc1nc2ccccc2n1C1CCN(C[C@H](O)CN2CCCC2=O)CC1 373591840 HIDPJECRCDFDFG-KRWDZBQOSA-N 356.470 1.965 0 50 FDAA Cc1cc(N2CCC[C@H](NC(=O)c3cn4ccccc4n3)C2=O)n(C)n1 266394976 KVFKZDPRGWTFFQ-ZDUSSCGKSA-N 352.398 1.302 0 50 FDAA C[C@@H](NC(=O)N1CC(S(N)(=O)=O)C1)c1cccc(C(F)(F)F)c1 827897792 ILVGALSUTMNGTL-MRVPVSSYSA-N 351.350 1.449 0 50 FDAA COc1ccc(C)cc1CCNC(=O)C(=O)NC1CC2(CO[C@H](C)C2)C1 929246763 OPTWQWNYCBVZTQ-PCVOSPCESA-N 360.454 1.736 0 50 FDAA CC1=C(C(=O)Nc2cccc(-c3nc(O)n[nH]3)c2)[C@@H](C)n2nnnc2N1C 848051736 XOMYFOWVDRUARQ-SECBINFHSA-N 367.373 1.087 0 50 FDAA C[C@@]1(C(=O)N2CCC(c3nccc(N4CCCC4)n3)CC2)CCC(=O)NC1 952895227 YDDNSNUMMPSQPH-HXUWFJFHSA-N 371.485 1.699 0 50 FDAA CO[C@@H]1C[C@@H](Cn2ccc(N)n2)N(C(=O)c2oc(CC3CC3)nc2C)C1 952887728 IDYKBUKGYAZJGI-UONOGXRCSA-N 359.430 1.644 0 50 FDAA O=C(c1cncc(-n2ccnc2)n1)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 1875294897 PLMPQZRCZSDLIG-GHMZBOCLSA-N 355.320 1.295 0 50 FDAA C[C@H]1C[C@@H](C)C[C@H](S(=O)(=O)N2CCC(N3CCN(C)CC3)CC2)C1 1875290597 RSRAEFNRPULKPU-VQFNDLOPSA-N 357.564 1.853 0 50 FDAA CN(C(=O)[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCN(c2ncc3ncn(C)c3n2)C1 1875341312 OLAGKKGFFJWCKD-ZQDZILKHSA-N 354.458 1.837 0 50 FDAA Cn1c(O)nnc1[C@@H]1[C@H](C2CC2)CCN1c1nccn2c(C3CC3)nnc12 1875399744 INGQVADWJAFNHP-STQMWFEESA-N 366.429 1.813 0 50 FDAA Cc1noc(C[C@@]2(O)CCCN(C(=O)[C@H](NC3CC3)c3cccnc3)C2)n1 1875357122 ZHSRHDKKMKHMRQ-MJGOQNOKSA-N 371.441 1.162 0 50 FDAA C[C@@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2cccc(C(=O)N(C)C)c2)CC1 1875339302 ZQUSVCFVYWNFMD-DYVFJYSZSA-N 357.454 1.765 0 50 FDAA Cc1nc(C)n(CCC(=O)N[C@@H]2CC[C@@H]3CN(C(=O)[C@H]4C[C@@H]4C)C[C@H]32)n1 1875406493 FVKFTUGMDTXOHK-FEMNKSEZSA-N 359.474 1.294 0 50 FDAA CN1CCO[C@@H](CNC(=O)CCOc2ccccc2)[C@@H]1c1ccnn1C 886079201 BGRTWGREDOUBCM-HKUYNNGSSA-N 358.442 1.377 0 50 FDAA CO[C@@H]1CC[C@H](C(=O)NCCCc2ccccc2)C[C@H]1NS(C)(=O)=O 2100536833 AJJAPKDGXPYTEG-GVDBMIGSSA-N 368.499 1.468 0 50 FDAA O=C(N[C@H]1CC[C@H](C(=O)NCC2=CCCCC2)C[C@@H]1O)c1cncnc1O 2100556403 MJUBVVQLVNJEKW-BPUTZDHNSA-N 374.441 1.058 0 50 FDAA COc1ccc2[nH]c(=O)c(C(=O)N3CCNC[C@H]3c3ccncc3)cc2c1 2325753371 AQOUXUHYCODKDK-SFHVURJKSA-N 364.405 1.718 0 50 FDAA Cc1nc2ccc(C(=O)N(C)C[C@H]3CCc4nccn4C3)cc2n(C)c1=O 2325804653 BTYKZKPDPAGIEV-CQSZACIVSA-N 365.437 1.773 0 50 FDAA COc1ccc2cc(C(=O)N[C@]3(C(=O)O)C[C@@H](O)C3(C)C)c(C)nc2c1 2325848888 VHXQVLKCRQKYIG-BEFAXECRSA-N 358.394 1.896 0 50 FDAA CC1(F)CC(NC(=O)Cn2cc(-c3ccnn3[C@H]3CC3(F)F)nn2)C1 2325862669 CKOQXESXJXIGPH-PEUVISTOSA-N 354.336 1.729 0 50 FDAA Cn1ncc2nc(O)c(C(=O)N3CCCC[C@H]3c3cnc(=N)[nH]c3)cc21 2325879564 ZLXNFRDOAYUYFO-ZDUSSCGKSA-N 353.386 1.244 0 50 FDAA CN(C[C@H]1CCCN1C(=O)c1ccc2c(c1)CC(=O)N2)C(=O)C1(F)CC1 2325880044 RRIWFZKLJVVHEZ-CQSZACIVSA-N 359.401 1.746 0 50 FDAA O=C(CCCn1cncn1)N[C@H]1CCCN(C2Cc3ccccc3C2)C1 11704051 SEXNPGODYQIZKB-SFHVURJKSA-N 353.470 1.806 0 50 FDAA Cc1nnnn1-c1ccc(CC(=O)Nc2ccnn2Cc2cccnc2)cc1 2356147940 ZJDPXEULAYXZCQ-UHFFFAOYSA-N 374.408 1.792 0 50 FDAA Cn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1cnccn1 2366536 HDKDSKLMLWJALC-UHFFFAOYSA-N 370.394 1.732 0 50 FDAA C[C@]1(O)CC2(CCN(C(=O)COc3cccc(Cl)c3)CC2)OC[C@@H]1O 2356159642 KVWBFSSSBGTSLB-RDJZCZTQSA-N 369.845 1.612 0 50 FDAA CN(CC(=O)N1CCN(c2ccccn2)CC1)S(=O)(=O)c1ccccc1 6574648 MPKRKRDSVIXPEN-UHFFFAOYSA-N 374.466 1.051 0 50 FDAA CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C(=O)OC)C1 6746446 XLYSXWLTYPVYDQ-LBPRGKRZSA-N 354.428 1.473 0 50 FDAA CCNc1cc(C)nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 9620824 SYLKKANVKGAWCS-UHFFFAOYSA-N 361.471 1.728 0 50 FDAA O=C(NCCN1CCOCC1)C1CCN(CCCc2ccccc2)CC1 22241744 CFEVLIQYMXIZQI-UHFFFAOYSA-N 359.514 1.780 0 50 FDAA O=C(CC[C@@H]1NC(=O)NC1=O)NCc1cccnc1Oc1ccccc1 67515339 UMMJQNWNJUOEDS-AWEZNQCLSA-N 354.366 1.478 0 50 FDAA CC(C)(C)c1ncc2c(n1)CN(C(=O)c1cccc(OCC(N)=O)c1)C2 67489841 ZRMNLGRTGHHZBC-UHFFFAOYSA-N 354.410 1.794 0 50 FDAA CC(C)(CN1CCOCC1)CN1CCN(c2ccc(Cl)nn2)CC1 65370091 WFYJOCYDPXQDQK-UHFFFAOYSA-N 353.898 1.610 0 50 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FDAA CSCCNC(=O)c1sc2ncnc(N3CCN(C)CC3)c2c1C 12244896 FXWKXUDBYCVNEL-UHFFFAOYSA-N 365.528 1.844 0 50 FDAA C[C@H](C(=O)NC1CCCC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 12380578 WVYYCKJUTXBRRM-GFCCVEGCSA-N 368.455 1.671 0 50 FDAA CS(=O)(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 13323675 HRYXJNVJJLLZER-UHFFFAOYSA-N 365.377 1.221 0 50 FDAA O=C([C@@H](c1cccnc1)N1CCOCC1)N1CCC(C2CCNCC2)CC1 1857682088 NBQCAXWSJBPCJG-HXUWFJFHSA-N 372.513 1.693 0 50 FDAA CCC(CC)C(=O)N1C[C@@H]2[C@H](CNC(=O)c3cnc(C)[nH]3)[C@H]3CC[C@]2(C1)O3 1857713335 VNULHZOOYIYILJ-DKYLXPRQSA-N 374.485 1.890 0 50 FDAA CCOc1ccc2nc(O)c(CN3C[C@@H]4OCCC(=O)N(C)[C@H]4C3)cc2c1 1857730582 WQTUXZLHHKEOEM-ROUUACIJSA-N 371.437 1.771 0 50 FDAA O=C(c1cccnc1O)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857730773 WVEFYPWLMKVTGA-QINHECLXSA-N 365.389 1.702 0 50 FDAA O=C(Nc1ccccn1)c1cccc(S(=O)(=O)N2CCC[C@H](O)C2)c1 408525272 SZWDEHMDXGWLME-AWEZNQCLSA-N 361.423 1.479 0 50 FDAA COC[C@@H](C)S(=O)(=O)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328633375 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COc1nc(C)cc(=NC[C@H]2C[C@H](C)N(C(=O)CCc3cnn(C)c3)C2)[nH]1 1875302190 CUZJTBWSEQAEPT-GOEBONIOSA-N 372.473 1.231 0 50 FDAA CN(Cc1nccn1CC(F)(F)F)[C@H]1COC[C@H]1Oc1cnn(C)c1 888102677 FNVLRNHGOAQLAG-QWHCGFSZSA-N 359.352 1.457 0 50 FDAA Cn1nnnc1[C@H]1CN(C(=O)c2cccc3c4c([nH]c23)CCCC4)CCO1 2100483276 IOCHSJVGVYAJKH-MRXNPFEDSA-N 366.425 1.784 0 50 FDAA O=C1C[C@@H]2CCCCN2CCCN(C(=O)Cc2cnc[nH]2)CCCCN1 2100532864 GBEFFXVIKHIOQL-KRWDZBQOSA-N 361.490 1.326 0 50 FDAA Cc1ccc(OCC(=O)NS(=O)(=O)c2cc[nH]n2)c2c1[C@H](C)CC2=O 2325742972 CEYFOVTWMNSLCJ-SNVBAGLBSA-N 363.395 1.292 0 50 FDAA O=C1CC[C@@H](CNC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)CN1 2325800212 XBCXBZRLCPLPEO-CYBMUJFWSA-N 351.406 1.940 0 50 FDAA Brc1ccc(N2CCN(CCCc3nn[nH]n3)CC2)cc1 2325811884 WPFAYDHJEGPFDG-UHFFFAOYSA-N 351.252 1.717 0 50 FDAA N[C@H]1CCc2ncc(NC(=O)CCn3nc(O)c4ccccc43)cc2C1 2325859133 PEWSVASAILCVJV-ZDUSSCGKSA-N 351.410 1.982 0 50 FDAA O=C([C@H]1CCCO1)N1CCN(C(=S)NCc2ccc(F)cc2)CC1 1120082 DOYGHAJHJOULBY-OAHLLOKOSA-N 351.447 1.523 0 50 FDAA 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1.192 0 50 FDAA CCc1cc(N2CCC3(CC2)CN(C)C(=O)CO3)nc(N2CCCC2)n1 670467973 SNRXJZQOLBSDAU-UHFFFAOYSA-N 359.474 1.467 0 50 FDAA Cc1nc(C)c(CC(=O)NC[C@H](c2ccccn2)N2CCOCC2)s1 670461336 JWMNRDMUMQLKBW-MRXNPFEDSA-N 360.483 1.887 0 50 FDAA CS(=O)(=O)N1CCCC[C@H]1CCNC(=O)CCN1CCCCCC1=O 952992074 WJAHIABDCOGIIZ-HNNXBMFYSA-N 373.519 1.100 0 50 FDAA CC(C)CN1CCN(C(=O)c2ccccc2-c2nc[nH]n2)C[C@@H]1CCO 952989144 SWDAHLPCPYOWRG-HNNXBMFYSA-N 357.458 1.637 0 50 FDAA COc1ccc(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2O)cc1C 1565531120 ALGFMFHCMWBAII-ROUUACIJSA-N 355.438 1.764 0 50 FDAA CCOc1ccc(C(=O)N[C@H]2CCN(C(=O)c3ccccc3)C[C@@H]2O)o1 1565527185 PAUMDZUIFDRXID-GJZGRUSLSA-N 358.394 1.684 0 50 FDAA Cc1cnn(C)c1S(=O)(=O)N[C@H]1CCOC[C@@H]1OCc1ccccc1 1565507269 NZCBEIVUTZAQQP-HOTGVXAUSA-N 365.455 1.381 0 50 FDAA C[C@@H](NC(=O)c1csc2ccccc12)C(=O)N1CCS(=O)(=O)CC1 109123436 RDNONPKLTSCKAC-LLVKDONJSA-N 366.464 1.277 0 50 FDAA Cc1ccn(C[C@@](C)(O)C(=O)N2CCC(c3nc(C)no3)CC2)c(=O)c1 280064480 HGPDMUILLMPPSX-GOSISDBHSA-N 360.414 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368.433 1.600 0 50 FDAA Cc1cc(F)ccc1-n1cc(O)c(C(=O)NC[C@@H]2CCCS2(=O)=O)n1 153345203 MHGOHLXPBPGISC-LBPRGKRZSA-N 367.402 1.332 0 50 FDAA Cc1nc(CN2CC[C@H](N(C)Cc3cc(O)nc(N(C)C)n3)C2)cs1 328622971 BQSDMVNPFDOXTD-HNNXBMFYSA-N 362.503 1.719 0 50 FDAA O=C1NCCN(C(=O)c2ccc(-n3cncn3)nc2)[C@H]1c1ccccc1F 363759541 XNFYGVBLIKSHSD-INIZCTEOSA-N 366.356 1.115 0 50 FDAA O=C(Cn1c(O)nc2ccccc2c1=O)Nc1cccc2c1OCC[C@H]2O 363828988 SJFFZFTUVRYVPB-OAHLLOKOSA-N 367.361 1.557 0 50 FDAA Cc1nc(C2CCN(C(=O)[C@H](N)C(C)C)CC2)cc(N2CCOCC2)n1 72412320 GZZJDIVYFKFZAM-GOSISDBHSA-N 361.490 1.311 0 50 FDAA O=C(N1CC[C@@](CO)(Cc2ccc(F)cc2)C1)C1(O)CCSCC1 366500962 PISPECNMVGCWDG-QGZVFWFLSA-N 353.459 1.837 0 50 FDAA CC[C@H](N)C(=O)N1CCc2ccc(S(=O)(=O)Nc3ccccn3)cc2C1 77488347 JEUJGWJAOFCFDT-INIZCTEOSA-N 374.466 1.504 0 50 FDAA Cc1nc(CC2CCN(c3cc(C4CC(N)C4)nc(N(C)C)n3)CC2)no1 219605532 ZZILBQWEWNVHFF-UHFFFAOYSA-N 371.489 1.898 0 50 FDAA Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCc2cnccc21 125865510 GIGYYPVYBCIZIL-UHFFFAOYSA-N 364.409 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O=c1cc(-c2ccccc2)c2ccc(O[C@@H]3OC[C@H](O)[C@H](O)[C@@H]3O)cc2o1 254291872 PVKGASGRNLMGPG-KNTRFNDTSA-N 370.357 1.278 0 50 FDAA CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H](C(=O)O)C2)c1 299416625 STJJNHJQURINJB-SECBINFHSA-N 360.819 1.185 0 50 FDAA Cn1c([C@@H]2CCCN2C(=O)C2CCN(CC(N)=O)CC2)nc2ccccc21 91625026 HQOCQDCPFCKNIR-KRWDZBQOSA-N 369.469 1.434 0 50 FDAA CCn1nc(C(C)C)cc1C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 299766559 PBTPCMLHPSBHEV-HNNXBMFYSA-N 362.474 1.737 0 50 FDAA COc1cc(NC(=O)NCCCn2nc(C)nc2C)cc(-n2cnnn2)c1 299764155 WXHAYPMXYHLXIS-UHFFFAOYSA-N 371.405 1.091 0 50 FDAA Cc1n[nH]c(C2CCN(C(=O)Cn3nc(C)c4ccccc4c3=O)CC2)n1 299783416 XYEHAXFQXREUEP-UHFFFAOYSA-N 366.425 1.538 0 50 FDAA O=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1ccc[nH]1 299784649 UNEITKNQYRAITA-QGZVFWFLSA-N 374.485 1.094 0 50 FDAA O=C([C@@H]1CCOC1)N1CCC2(CC1)CN(C1Cc3ccccc3C1)CCO2 827921440 YKKHGHBYANXOGK-LJQANCHMSA-N 370.493 1.884 0 50 FDAA CC(=O)N1CCC2(CC1)CN(C(=O)c1ccc(-c3cc[nH]n3)cc1)CCO2 820569342 GJPPSWKMWUDUTQ-UHFFFAOYSA-N 368.437 1.930 0 50 FDAA O=C(C1CCCCC1)N1CCOC2(CCN(C(=O)[C@H]3CCCO3)CC2)C1 827969603 LDLUECJTUBNALB-QGZVFWFLSA-N 364.486 1.966 0 50 FDAA Cc1cccc(N2CCC(NC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1 828015076 OMBVMFHXVVEDPW-HNNXBMFYSA-N 351.472 1.450 0 50 FDAA COc1ccc(Cl)cc1S(=O)(=O)NCCN1CCCC[C@H]1CO 670438210 FGGFHGZRQFSJJF-ZDUSSCGKSA-N 362.879 1.474 0 50 FDAA NC(=O)CN1CCC[C@H](C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 952989041 GVPLYKSIFWHZRK-ROUUACIJSA-N 358.486 1.137 0 50 FDAA COc1c(Cl)cc(Cl)cc1C(=O)N[C@H]1CCOC[C@@H]1OCCO 1565526653 CBMGOSVPVQLARU-STQMWFEESA-N 364.225 1.898 0 50 FDAA Cc1nn(CCO)cc1CN1C[C@@H]2CC[C@H]1CN(C(=O)c1ccccc1)C2 1565510890 WEOWFLPIUASXLA-PXNSSMCTSA-N 368.481 1.920 0 50 FDAA CN(C)Cc1nc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccccn2)cs1 1565516074 CODWYJGJTPNTDZ-JSGCOSHPSA-N 362.455 1.566 0 50 FDAA CCn1c(C)nnc1COc1ccc(S(=O)(=O)N2CCCC2)cc1 408525410 JAFLKILBPOJEOO-UHFFFAOYSA-N 350.444 1.970 0 50 FDAA C[C@H]1CCCC[C@]12CC(=O)NN2C(=O)Cn1cc(C(N)=O)c2ccccc21 1470100733 QVFGDWSECNVVRI-RBZFPXEDSA-N 368.437 1.953 0 50 FDAA Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cccc(F)c2Cl)cn1 276798852 XZHQSAKTMFXBEJ-DOMZBBRYSA-N 350.781 1.962 0 50 FDAA CC(C)c1nnc2n1C[C@@H](NC(=O)Cn1nnc(-c3ccccc3)n1)CC2 195268031 VQQOQDQQEKMOPL-AWEZNQCLSA-N 366.429 1.186 0 50 FDAA CNS(=O)(=O)c1cc(N2C(=O)N[C@@](C)(c3ccccc3)C2=O)ccc1C 771829991 WSIIFMHGHJEATJ-SFHVURJKSA-N 373.434 1.875 0 50 FDAA COC[C@@H]1CCCN(S(=O)(=O)N2CCC(c3ccncc3)CC2)C1 1506416290 FLGLKZIGXTYRID-OAHLLOKOSA-N 353.488 1.864 0 50 FDAA Cc1cc(S(=O)(=O)NC[C@H](O)CN2CCCC2)c(Cl)cc1F 1506397746 GZLARPOILFVZPH-NSHDSACASA-N 350.843 1.523 0 50 FDAA CC(C)Oc1ccc([C@H](C(=O)O)N2CCC(NS(C)(=O)=O)CC2)cc1 1506426326 GCMZDHHPWSDGBG-MRXNPFEDSA-N 370.471 1.613 0 50 FDAA CNC(=O)c1ccc(S(=O)(=O)N2CC[C@H](n3nc(C)cc3C)C2)cc1 1506398244 NTPZUIYMUGEJGU-HNNXBMFYSA-N 362.455 1.495 0 50 FDAA COc1ccc(C(=O)N2CCCN(C(=O)c3cccc(O)n3)CC2)cn1 1529125086 IMRGEUMCVIKHFO-UHFFFAOYSA-N 356.382 1.179 0 50 FDAA O=C(CCn1cnnc1)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1704348329 SCTGQNKYZGLKBG-CRAIPNDOSA-N 351.410 1.278 0 50 FDAA O=C(CSc1ncccn1)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 11815546 YOIBXYIKLYZGGH-CQSZACIVSA-N 360.414 1.625 0 50 FDAA COc1cccc(OCc2cc(C(=O)N3CCN(C(C)=O)CC3)no2)c1 12111981 ZDPNYUPTLJUQIQ-UHFFFAOYSA-N 359.382 1.567 0 50 FDAA CN(Cc1ccco1)Cc1cnc(S(C)(=O)=O)n1C[C@H]1CCCO1 12307046 MIWHJHLQWHYAKA-OAHLLOKOSA-N 353.444 1.691 0 50 FDAA Cc1c(C(=O)N[C@H]2CCS(=O)(=O)C2)nnn1-c1ccc(Cl)cc1 13720897 FJRWHBNAYQZHDC-NSHDSACASA-N 354.819 1.146 0 50 FDAA CN(C(=O)Cn1nnnc1CN1CCOCC1)[C@@H]1CCCc2ccccc21 15067873 REOIULWSNJBVTK-QGZVFWFLSA-N 370.457 1.041 0 50 FDAA COc1nc(N2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)ncc1F 1857673073 FOIBLZZTPCEORI-SFHVURJKSA-N 358.373 1.878 0 50 FDAA O=C(NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cc[nH]c1 1857700550 JFFGZPFBWPMPLY-SFHVURJKSA-N 374.485 1.094 0 50 FDAA Cc1ccnn1CCNC(=O)[C@H]1CC(=O)N(c2nc3ccccc3s2)C1 1857720437 UNLDGYBFXUGMDC-ZDUSSCGKSA-N 369.450 1.971 0 50 FDAA O=C([C@H]1CCc2ncnn2C1)N1CCCN(Cc2cccc(F)c2)CC1 1857721880 KGPFXJFZRCMBFP-INIZCTEOSA-N 357.433 1.714 0 50 FDAA COc1cccc(-c2nccn2[C@@H]2C[C@H]3CO[C@@H](CCO)CN3C2)c1OC 1857736170 YLNOQPKABJPKMA-PMPSAXMXSA-N 373.453 1.964 0 50 FDAA O=C(c1ccccn1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857736894 PUHANHXAXRDHQC-OALUTQOASA-N 368.437 1.391 0 50 FDAA Cn1cccc1CN[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 119206196 UPMPXOVFKXCYCL-INIZCTEOSA-N 356.474 1.410 0 50 FDAA Cc1cccc(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)Cc2nncn2C)c1 1875360596 JEQZPXDTFUWFHP-JKSUJKDBSA-N 355.442 1.381 0 50 FDAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccccc1C(F)(F)F)C2 1704310967 WMIODAFOMVCEMA-RYUDHWBXSA-N 372.343 1.563 0 50 FDAA Cc1nnc2n1C[C@H](C(N)=O)N(C(=O)c1cc(F)c(Cl)cc1F)C2 818351019 OHDXUNMSUMUILF-LLVKDONJSA-N 355.732 1.028 0 50 FDAA Cn1cc(O[C@@H]2COC[C@@H]2N[C@H]2CCCN(Cc3ccccc3)C2)cn1 862494723 PBYSJUBRNXKSLQ-YSIASYRMSA-N 356.470 1.821 0 50 FDAA COC(=O)/C=C/C(=O)N1C[C@H]2COCC[C@]2(CNC(=O)c2ccccc2)C1 1875378931 IUQDEFKRCHTQBW-IFABGAQTSA-N 372.421 1.011 0 50 FDAA Cn1cnc(C(=O)NC[C@H]2CCN(C(=O)Cc3c[nH]c4cnccc34)C2)c1 1875310562 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CN(CCc1ncon1)C(=O)C[C@H]1CCCN(c2nc3ncccc3o2)C1 1857741260 KTPWFEBGYSYRGD-CYBMUJFWSA-N 370.413 1.913 0 50 FDAA O=C1NC[C@]2(C(=O)O)CN(C(=O)c3ccc(-c4ccccc4)cc3)C[C@H]12 216922523 AHVYDHDVJHQWGG-UZLBHIALSA-N 350.374 1.626 0 50 FDAA O=C(N[C@@H](Cc1ccccc1)CN1CCOCC1)c1ccc2nncn2c1 111124133 SJTQPDIUKBSWOQ-SFHVURJKSA-N 365.437 1.403 0 50 FDAA CCOCCn1c(=O)c2c(nc3n([C@@H](C)CC)c(C)c(C)n23)n(C)c1=O 8704263 WBQMGRIGQQFKCZ-NSHDSACASA-N 361.446 1.774 0 50 FDAA O=S1(=O)C[C@@H](O)[C@@H](N2CCC(c3nc4ccccc4s3)CC2)C1 11999777 FXLFIOVSACOTOC-UONOGXRCSA-N 352.481 1.634 0 50 FDAA O=C(CCCN1CCOCC1)N1C[C@H]2c3ccccc3OC[C@@]2(C(=O)O)C1 247369687 GTZSNGMKPGWFIU-JXFKEZNVSA-N 374.437 1.188 0 50 FDAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccccc1-c1nnn[nH]1)C2 248014302 SIWCWPZBDZQRGZ-OLZOCXBDSA-N 354.414 1.340 0 50 FDAA Cn1cnc2c(C(=O)N[C@H]3CCN(c4ccccc4F)C3=O)ccnc21 376250736 QDZYGZCXHMPJTR-ZDUSSCGKSA-N 353.357 1.643 0 50 FDAA CC[C@@H]1CN(C(=O)C(=O)N[C@@H](Cc2ncc[nH]2)c2ccccc2)CC[C@@H]1N 1875266192 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Cn1cc(NC(=O)C(=O)NC[C@@]2(CO)CC2(C)C)c(C2CCCCC2)n1 2325776159 WZHGTSZPNYDPFD-LJQANCHMSA-N 362.474 1.931 0 50 FDAA C[C@H]1CN(c2cc(C(=O)NC[C@H]3COCCC3(F)F)ccn2)CCO1 2325791380 UAYBOTQXMWATCA-JSGCOSHPSA-N 355.385 1.708 0 50 FDAA COC(=O)c1nc(N2CCN(c3cccnn3)CC2)c2sccc2n1 2325802000 ABPVKCYVMAQPAM-UHFFFAOYSA-N 356.411 1.595 0 50 FDAA COc1cc(Cl)ccc1C[C@@H]1NC(=O)[C@@H]2C[C@@H](OC(F)F)CN2C1=O 2325808972 HSBIEZMVMPIGDX-WOPDTQHZSA-N 374.771 1.598 0 50 FDAA Cc1c(C(=O)N[C@H]2CCN(c3cc[nH]n3)C2=O)cnn1-c1ccccc1 2325849123 HDTHZOKLWMFMGV-HNNXBMFYSA-N 350.382 1.439 0 50 FDAA CC[C@](C)(NC(=O)CC(F)(F)C(F)F)c1cn([C@H](C)C(=O)O)nn1 2332239292 DHFRNMIQUUXUOZ-KRTXAFLBSA-N 354.304 1.956 0 50 FDAA CO[C@@H]1C[C@@H](Cn2ccc(N)n2)N(C(=O)c2cc(C)cn3ccnc23)C1 952851164 GVNFFYUEHFYGGF-UONOGXRCSA-N 354.414 1.351 0 50 FDAA O=C(CNS(=O)(=O)c1ccc(Br)cc1)NC1CCCC1 1119247 GZJHVLGALLRCGC-UHFFFAOYSA-N 361.261 1.786 0 50 FDAA Cc1ccc(-n2c(SCC(=O)N3CCOCC3)nc(O)cc2=O)cc1 2290033 XJKZRJDWSZVBCI-UHFFFAOYSA-N 361.423 1.197 0 50 FDAA CC(=O)NC(C)(C)C(=O)N1CCC[C@]2(CCc3cnc(N(C)C)nc32)C1 2356145864 LJAAPYXKWOHYCZ-IBGZPJMESA-N 359.474 1.264 0 50 FDAA COc1cccc(C(=O)N2CCN(C(=O)CCc3cnn(C)c3)CC2)c1 55176768 ZGFHVBHSOJQHHX-UHFFFAOYSA-N 356.426 1.346 0 50 FDAA COc1ccc(Cn2cc(C(=O)N[C@H]3CCN(C(C)C)C3=O)cn2)cc1 114658060 XMBCYMFSOWYETK-KRWDZBQOSA-N 356.426 1.679 0 50 FDAA O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2 101673078 AVDKMVVTFWHMCC-AYMQEEERSA-N 353.422 1.846 0 50 FDAA CC(C)[C@H](NC(=O)C1(c2ccccc2)CC1)c1nnc2n1CCNCC2 67473407 SYURNGLAKPKPJZ-KRWDZBQOSA-N 353.470 1.969 0 50 FDAA CCCc1cc(N2CCN(Cc3c(CO)cnc(C)c3O)CC2)nc(C)n1 65407746 DYFICHZHQSMHFS-UHFFFAOYSA-N 371.485 1.961 0 50 FDAA O=C(c1cn(CCN2CCOCC2)nn1)N1CCCC[C@@H]1c1cccnc1 11668070 LAYYIEKNIDDFKE-GOSISDBHSA-N 370.457 1.373 0 50 FDAA CCN(CC)Cc1cnc2c(C(=O)NCc3cncn3CC)cnn2c1 67773926 YQKVHJZBFSNHFW-UHFFFAOYSA-N 355.446 1.718 0 50 FDAA O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]1(O)CNCCn1ccnc1 67805933 DONPYHQFPPTGOX-SFHVURJKSA-N 364.396 1.305 0 50 FDAA O=C1NCCN2CCN(Cc3cccc(OCc4ccccc4)c3)C[C@@H]12 65506120 VHESTGUQFXNCQZ-FQEVSTJZSA-N 351.450 1.882 0 50 FDAA CN1CC[C@@H](c2nc(Cc3ccccc3OC(F)F)no2)S1(=O)=O 351330874 FVKYFYJFOWSWBD-NSHDSACASA-N 359.354 1.968 0 50 FDAA O=S(=O)(NC[C@@H](c1ccco1)N1CCOCC1)c1ccc(F)cc1 20614839 CWEMFLMYJLSLFO-HNNXBMFYSA-N 354.403 1.771 0 50 FDAA CCc1ccc([C@H](CNC(=O)N2CCN3C(=O)NC[C@H]3C2)N(C)C)cc1 119351588 SXXHXVLYBQXLQD-IRXDYDNUSA-N 359.474 1.271 0 50 FDAA CCn1cc(SCC(=O)N2C[C@@H](N)C[C@H]2C(=O)NC)c2ccccc21 67920999 VZOWMOZADTUXLX-WFASDCNBSA-N 360.483 1.428 0 50 FDAA CNC(=O)CN(C)C(=O)c1cc(COc2ccc(F)cc2Cl)on1 67741032 XLHLPFVTJGAKFW-UHFFFAOYSA-N 355.753 1.864 0 50 FDAA O=C(C[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)NCc1ccccn1 170625191 UUFRGJRAHICSQS-HNNXBMFYSA-N 356.357 1.348 0 50 FDAA O=C(C[C@H]1CCS(=O)(=O)C1)Nc1nc2ccccc2nc1N1CCCC1 121240322 SEQNIUUFMDFFJU-CYBMUJFWSA-N 374.466 1.993 0 50 FDAA COC(C)(C)C(=O)N1CCC[C@H](c2nn(C)c(=O)n2-c2ccccc2)C1 67820817 UVTYRPFBAGALED-AWEZNQCLSA-N 358.442 1.702 0 50 FDAA 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FDAA Cc1ccc(OCCS(=O)(=O)N2CCC3(CC2)CC(=O)N(C)C3)cc1 77407922 MJZLPZPDPWJFQH-UHFFFAOYSA-N 366.483 1.648 0 50 FDAA CN(C)S(=O)(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 77440137 HWYDSUAZFCXGCK-KRWDZBQOSA-N 366.487 1.093 0 50 FDAA Cc1ccncc1C(=O)N1CCC(N2CCC[C@H](C(=O)NC3CC3)C2)CC1 71419038 BNQIOBBWXHLNRJ-INIZCTEOSA-N 370.497 1.985 0 50 FDAA Cn1ccc(N2CCC[C@@H](N3CCC(Cc4nccn4C)CC3)C2=O)n1 173691874 ZJTNVAUGLFDOCG-MRXNPFEDSA-N 356.474 1.604 0 50 FDAA CCOCCn1c(=O)[nH]c2cc(C(=O)NCc3cccc(C)n3)ccc21 77340763 FQDPZBSRQZGVSZ-UHFFFAOYSA-N 354.410 2.000 0 50 FDAA CC(C)c1nc(CN(C)C(=O)c2ccc(N3CC(=O)NC3=O)cc2)no1 77355679 FMGZHRKDMBHMJQ-UHFFFAOYSA-N 357.370 1.521 0 50 FDAA O[C@@H]1CN(c2ncccn2)CC[C@H]1N1CCN(CCc2ccccc2)CC1 71405784 UYJSJRQPRYJZAP-WOJBJXKFSA-N 367.497 1.277 0 50 FDAA CCCN(C(=O)C1CCN(S(=O)(=O)CC)CC1)[C@H]1CCCC[C@H]1O 72115497 LAJKYOGWIOJKBJ-JKSUJKDBSA-N 360.520 1.590 0 50 FDAA Cc1cccc(NC(=O)CC(=O)N2CCc3c(nc(N(C)C)[nH]c3=O)C2)c1 71499232 KWFWRVUNCLEMGS-UHFFFAOYSA-N 369.425 1.058 0 50 FDAA 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Cn1ncc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1C1CC1 72153613 UZOPSMSZCDXKPH-UHFFFAOYSA-N 360.483 1.804 0 50 FDAA CC(C)[C@@H]1CN(C(=O)CCC(N)=O)CCC(=O)N1Cc1ccc(F)cc1 71681759 UAPRQOSKGQYLKP-INIZCTEOSA-N 363.433 1.677 0 50 FDAA CC(C)N1C[C@H](C(=O)NCc2nc(Cc3cccs3)no2)CCC1=O 216424132 VDZPBEMZHORSBW-GFCCVEGCSA-N 362.455 1.985 0 50 FDAA CN(C)c1nsc(N2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)n1 219705073 SAPLQKCHKGGLRL-CQSZACIVSA-N 374.474 1.026 0 50 FDAA Cc1ccc(CN2CCN(C(=O)NC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)o1 72448000 XACARNMCGACUDE-CABCVRRESA-N 369.487 1.379 0 50 FDAA Cc1ccc(CN2CCCn3nc(CNS(C)(=O)=O)cc3C2)s1 82092056 BWCIWXRERKUQCB-UHFFFAOYSA-N 354.501 1.708 0 50 FDAA CN(Cc1cn2cccnc2n1)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C 286895284 YTLBLNFPPWPCOF-MAUKXSAKSA-N 353.474 1.978 0 50 FDAA Cc1cc(C)n(-c2ccc(=O)n(CC(=O)NCc3ccccc3F)n2)n1 40266831 XEKNQSZMARSGPS-UHFFFAOYSA-N 355.373 1.501 0 50 FDAA CS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC(=O)Nc3ccccc32)cc1 222236026 CEQLIXZECURLCO-INIZCTEOSA-N 358.419 1.832 0 50 FDAA Cn1cnnc1CC1CCN(Cc2cnc(NC[C@H]3CCCO3)nc2)CC1 82106945 RCYAWCJBRDOLTP-QGZVFWFLSA-N 371.489 1.651 0 50 FDAA Cc1cccc(-n2nnnc2S[C@H](C)C(=O)N2CCc3[nH]ncc3C2)c1 221355093 MYAAJRODFPPYFE-GFCCVEGCSA-N 369.454 1.759 0 50 FDAA O=C1C[C@@H](C(=O)N2CCC(c3ncon3)CC2)CN1Cc1ccncc1 426504474 LIRWEADDRQAVPC-OAHLLOKOSA-N 355.398 1.219 0 50 FDAA CN1C(=O)[C@@]2(CCCN(C(=O)NCCc3nncn3C)C2)c2ccccc21 426575087 WCLPALBDJSQHFY-LJQANCHMSA-N 368.441 1.077 0 50 FDAA COc1cc(C)ccc1C(=O)N[C@@H]1CCN(Cc2c(C)noc2C)C[C@H]1O 426545197 UECFQQMFFPNJIZ-QZTJIDSGSA-N 373.453 1.974 0 50 FDAA O=C(NCc1noc(C2CCCC2)n1)[C@H](c1cccnc1)N1CCOCC1 95365282 RXMKEYGAZNATEL-KRWDZBQOSA-N 371.441 1.812 0 50 FDAA COc1ccccc1N1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1=O 91655854 AOZQXOXXHDKBAQ-INIZCTEOSA-N 353.422 1.440 0 50 FDAA Cc1ccc2oc(=O)n(CCC(=O)N3Cc4nc[nH]c4C[C@@H]3C(=O)O)c2c1 95520580 WSGBVOOQGNCAFP-CQSZACIVSA-N 370.365 1.054 0 50 FDAA CN1CCN(Cc2cnn(-c3ccccc3F)c2)C[C@]12CCNC(=O)CC2 95371494 HXPKUYBJXPLDNV-FQEVSTJZSA-N 371.460 1.798 0 50 FDAA COC[C@@H]1CCCN1C(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1 95524780 WHINNRQMTYYLAO-LBPRGKRZSA-N 357.432 1.709 0 50 FDAA O=C(c1ccc(CN2CCCC2)o1)N1CCC[C@@H](c2cc(=O)[nH]cn2)C1 97744697 NASMKLGUEUIDJI-CQSZACIVSA-N 356.426 1.979 0 50 FDAA CCn1cc(CN2CCC(c3nnc(Cn4cccn4)n3C)CC2)c(C)n1 91943378 OSFMWBHJVGTKSB-UHFFFAOYSA-N 368.489 1.964 0 50 FDAA CN1CCC(N2CCN([C@H](C(=O)O)c3cccc4c3OCC4)CC2)CC1 95385428 VGNQANVOJZONJU-SFHVURJKSA-N 359.470 1.459 0 50 FDAA Cc1nn(-c2ccccc2)cc1CN1C[C@@H](CN2CCOCC2)[C@@H](CO)C1 92107528 IOVBSJPBKOWOGR-WOJBJXKFSA-N 370.497 1.553 0 50 FDAA Cc1n[nH]c(C)c1[C@@H](NC(=O)CCc1nc(-c2ccccc2)no1)C(=O)O 95529713 YADLKJIJNMYYIO-MRXNPFEDSA-N 369.381 1.951 0 50 FDAA CN(Cc1ccc(F)c(F)c1)C(=O)Nc1nc(CS(C)(=O)=O)no1 184094665 LCELSTZQWNLADT-UHFFFAOYSA-N 360.342 1.556 0 50 FDAA Cn1cncc1C(=O)N1CC[C@H](O)[C@](CCCc2ccccc2)(C(=O)O)C1 1940197693 JRQFXQAXJNGYSK-FXAWDEMLSA-N 371.437 1.721 0 50 FDAA CN(C)c1ccc(CC(=O)N(Cc2cccnc2)C[C@@H]2CCC(=O)N2)cc1 299790586 BMYYTVRZUFGYAA-SFHVURJKSA-N 366.465 1.998 0 50 FDAA CCc1nnc(CNC(=O)c2nccnc2C(=O)N2CCCCC2)s1 299802817 QLDCFFWVTNPIIF-UHFFFAOYSA-N 360.443 1.447 0 50 FDAA Cn1ccn2ncc(C(=O)N3CCN(c4nc5ccccc5o4)CC3)c12 584887021 IEEKLORZBNODMQ-UHFFFAOYSA-N 350.382 1.776 0 50 FDAA COc1cc(OC)nc(N[C@H]2CCOC[C@@H]2Oc2ccc(CO)cc2)n1 1565510351 YXBJQFZQTNOHHK-GJZGRUSLSA-N 361.398 1.635 0 50 FDAA O=C(c1n[nH]c(O)n1)N1C[C@H]2C[C@H](c3ccccc3)CC[C@@]2(C(=O)O)C1 1565513440 YOHUVOYVADOSND-SNUQEOBHSA-N 356.382 1.621 0 50 FDAA O[C@H]1CN(Cc2nnc(-c3ccccc3)o2)CC[C@@H]1Nc1ncccn1 1565528441 FZRHBPUGNIXHNY-GJZGRUSLSA-N 352.398 1.574 0 50 FDAA Nc1nc2cc(-c3ccc(C(=O)N[C@H]4CCNC[C@@H]4O)cc3)ccc2s1 1565509761 IGOYDOABKXZCAG-HOCLYGCPSA-N 368.462 1.998 0 50 FDAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C[C@@H]1C(=O)N(C)C(=O)N1C 952985157 PJXSLGKIHJSOJC-OAHLLOKOSA-N 372.425 1.452 0 50 FDAA CN(C)S(=O)(=O)c1ccccc1NS(=O)(=O)c1ccccc1F 170609149 TURZSOONYRBGOC-UHFFFAOYSA-N 358.416 1.877 0 50 FDAA CN1C[C@@H](C(=O)N2CCC3(CC2)C[C@@H]3N(C)Cc2nccs2)CC1=O 275631335 JPBWRSYPJOXYLL-KBPBESRZSA-N 362.499 1.434 0 50 FDAA CC(=O)N1CC(C(=O)N(Cc2ccccc2)[C@@H](C)CN2CCOCC2)C1 188400393 VWMFXGFQKOSUHJ-INIZCTEOSA-N 359.470 1.214 0 50 FDAA COc1ccc(CN(C)C(=O)CN2CCS(=O)(=O)C[C@H](C)C2)cc1 192106843 VQDPZVNLELTODI-CQSZACIVSA-N 354.472 1.020 0 50 FDAA O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc(-n2nccc2C(F)(F)F)c1 194623840 VXOUYOPARIIUIO-LLVKDONJSA-N 373.356 1.808 0 50 FDAA O=C(Cc1cc(O)nnc1O)N1CCC([C@H](O)CCc2ccccc2)CC1 1506398501 QJLATEZSAFHSEH-QGZVFWFLSA-N 371.437 1.663 0 50 FDAA Cc1c(NC(=O)C[C@H]2COc3ccc(C(=O)N(C)C)cc3N2C)cnn1C 1529110848 RMFVSIFKEUEBDL-AWEZNQCLSA-N 371.441 1.656 0 50 FDAA CCN(Cc1noc(CC(C)C)n1)C(=O)C[C@H]1C[C@H](C)NC(=S)N1 208237186 PBPURFFFLRIMHK-NWDGAFQWSA-N 353.492 1.632 0 50 FDAA Cc1onc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3CCC(C)C)C2)c1CO 216967163 FPJUPRLGJPXVQM-ZBFHGGJFSA-N 363.458 1.975 0 50 FDAA O=C([C@@H]1CCOC1)N1CCCN(CC(=O)N2CCc3ccccc32)CC1 1772706472 QQJAETHHTDLNLV-QGZVFWFLSA-N 357.454 1.147 0 50 FDAA Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)CCn4cnnn4)C3)C2)c1 12209876 FTYHSNJEFKFLQY-HXUWFJFHSA-N 368.485 1.886 0 50 FDAA COC[C@@H]1CCN(C(=O)c2cc(COc3ccc4c(c3)OCO4)[nH]n2)C1 12300455 LAVLWTNRMGFKNA-GFCCVEGCSA-N 359.382 1.826 0 50 FDAA CCOC(=O)c1sc(C)c(C(=O)NCCCN2CCOCC2)c1N 19706556 VVWCHPIDNVOLMO-UHFFFAOYSA-N 355.460 1.268 0 50 FDAA C[C@@H](C(=O)N1CCC([C@H]2OCC[C@@H]2N)CC1)n1ccc(C(F)(F)F)n1 1857531721 OPCNMLORSUZLFK-VHRBIJSZSA-N 360.380 1.818 0 50 FDAA O=C(Cc1cc[nH]n1)N1CCC2(CC1)CC(=O)N(CC1CCC1)CCO2 1857686908 HPMNKDVGBXSXCL-UHFFFAOYSA-N 360.458 1.362 0 50 FDAA CC(C)C[C@@H]1[C@H](C(N)=O)C[C@@H]2CN(Cc3coc(C(C)C)n3)CC(=O)N21 1857695056 RSNWPTKFTYBWDQ-BZUAXINKSA-N 362.474 1.731 0 50 FDAA Cc1cccc(C)c1C(=O)NC[C@H]1[C@H]2CN(CCC(=O)O)C[C@]23CC[C@H]1O3 1857715216 HFYJWANMPGCEMD-BIZBXSGISA-N 372.465 1.987 0 50 FDAA O=C(N[C@H]1C[C@H]2CO[C@H](C3CC3)CN2C1)[C@H]1CC[C@H](c2ccccc2)N1 1857729445 BFBPMYHEFNDRQR-OMZCGLGVSA-N 355.482 1.848 0 50 FDAA CN(CCc1ncon1)C(=O)[C@@H]1CC(=O)N(c2nc3ccccc3s2)C1 1857738135 SCXRFNXKYZWAIJ-LLVKDONJSA-N 371.422 1.733 0 50 FDAA O=C(CCc1nc2ccc(F)cc2[nH]1)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857738256 YZHCSLSUASPBIZ-BEFAXECRSA-N 372.400 1.584 0 50 FDAA O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)N1CC[C@@H]2CNC[C@@H]21 220070071 WFORRQFCTXMDBS-APWZRJJASA-N 374.444 1.884 0 50 FDAA Cc1c[nH]ccc1=NC(=O)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1 328639250 WUMNKFVAWWRTON-KRWDZBQOSA-N 368.441 1.808 0 50 FDAA CC(C)NC(=O)c1cnn2c1C[C@H](CN=c1nc(C3CC3)[nH]s1)CC2 333329967 MQDDQHLZUZJXBO-LLVKDONJSA-N 360.487 1.847 0 50 FDAA COc1ccc(C2(C(=O)N3CC[C@H](CO)[C@@H](O)C3)CCCC2)cc1OC 546693692 BZVJMDCQTOQOHO-ZBFHGGJFSA-N 363.454 1.717 0 50 FDAA CCCNc1ncc(CN2C[C@@H]3CC[C@H]2CN(CC(=O)N(C)C)C3)cn1 248017707 QQQPQVSOTMTZAH-WBVHZDCISA-N 360.506 1.283 0 50 FDAA CC(C)NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C[C@@]23C=C[C@H]1O3 252693301 BWKIEMWIVKCKOU-ASKNOMKYSA-N 370.405 1.222 0 50 FDAA biogenic O=c1nc(O)c(-c2noc([C@@H](F)CC3CCCCC3)n2)cn1CCO 904853689 MMELNVIAVODCEA-LBPRGKRZSA-N 352.366 1.972 0 50 FDAA Cc1noc([C@@H]2CC(=O)N(C3CN(Cc4ccc5c(n4)CCC5)C3)C2)n1 864311079 XTGXYANBYKGGSV-CQSZACIVSA-N 353.426 1.462 0 50 FDAA N=c1ccnc([C@@H]2CCCN2C(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)[nH]1 1875295812 RJBWJTDVFMIENZ-GJZGRUSLSA-N 355.373 1.885 0 50 FDAA N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)NCc1cncc2c1CCC2 1875287396 IKZCIZBWAHLXAE-VQTJNVASSA-N 350.466 1.646 0 50 FDAA O=S(=O)(C1C[C@@H]2[C@@H](C1)C2(F)F)N1CCC(N2CCOCC2)CC1 1875290509 MUSOWJJBTJWCIU-ZIAGYGMSSA-N 350.431 1.157 0 50 FDAA COCCn1nc2c(c1C(=O)N(C)CCn1cccn1)C[C@H](C)O[C@@H]2C 1875314775 RQQOTGBWCSEALL-UONOGXRCSA-N 361.446 1.520 0 50 FDAA CCCCS(=O)(=O)N1CC[C@@H](CN=c2nnc(CC)c(CC)[nH]2)C1 1875390304 HTGTWYRWSPFGHC-ZDUSSCGKSA-N 355.508 1.282 0 50 FDAA CN1C(=O)[C@@H](CC(=O)Nc2n[nH]c3c(C(F)(F)F)cccc23)N(C)C1=O 2100540386 JAVHLUYUNNKRAG-SECBINFHSA-N 369.303 1.803 0 50 FDAA CCC[C@@]1(CO)CN(C(=O)CCc2nc(-c3ccncc3)no2)CC[C@@H]1O 2100544691 FNUKXEUOISOWCZ-KXBFYZLASA-N 374.441 1.436 0 50 FDAA Cc1nc2c(NC(=O)CNS(=O)(=O)c3cccs3)cccn2n1 2100548398 ZWAZFIKOTNNVQB-UHFFFAOYSA-N 351.413 1.016 0 50 FDAA 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266442535 WJJSEOZGRCECOD-CQSZACIVSA-N 355.446 1.744 0 50 FDAA Nc1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc4c(c3)OCO4)C1)CC2 1704326527 ZQVNOHLOZRFDME-LJQANCHMSA-N 352.394 1.908 0 50 FDAA O=C([C@@H]1CCN(S(=O)(=O)[C@H]2CCc3ccccc3C2)C1)N1CCCC1 915669071 GVCPKCVJVFHPQN-MSOLQXFVSA-N 362.495 1.818 0 50 FDAA O=C(c1cccc2ncnn12)N1CCN(Cc2ccc3c(c2)OCO3)CC1 1152880936 VDNFHJQKWFDCHT-UHFFFAOYSA-N 365.393 1.416 0 50 FDAA O=C(NC[C@@H]1CNCc2ccccc21)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O 952852296 JNPAUDLAIROZOD-XHSDSOJGSA-N 363.483 1.235 0 50 FDAA Cn1cnnc1C[C@@]1(O)CCCN(c2nc(C3CC3)nc3c2CCC3)C1 952886816 BUAAQUUJYNHGAK-IBGZPJMESA-N 354.458 1.545 0 50 FDAA Cc1c(NC(=O)[C@H]2CC(=O)N(C3CN(C)C3)C2)cnn1-c1ccccc1 952888850 WTJAXRSEAYJPKV-AWEZNQCLSA-N 353.426 1.282 0 50 FDAA O=C(CN1C(=O)COc2cc(Br)ccc21)Nc1ccncn1 1875264312 CXFVVMYAFSFVBJ-UHFFFAOYSA-N 363.171 1.603 0 50 FDAA O=S(=O)([C@@H]1C[C@@H]1c1ccccc1)N1CC[C@H]2[C@H]1CCCN2CCO 1875362713 PQXCIMZKTKNOAB-XMTFNYHQSA-N 350.484 1.403 0 50 FDAA COC(=O)[C@@]1(NC(=O)[C@@H](N)Cc2cc3ccccc3o2)CCCSC1 1875383528 XWUDLCYGDSBASO-KBXCAEBGSA-N 362.451 1.858 0 50 FDAA Cc1cc(C(=O)NC[C@]2(CO)COC[C@@H](C)N2Cc2ccccc2)c[nH]1 1875396961 YYXCQFYBIGYWLQ-UZLBHIALSA-N 357.454 1.705 0 50 FDAA COCCn1nc2c(c1C(=O)NCC1(O)CCCC1)C[C@H](C)O[C@@H]2C 1875314736 OYIAVPDSFUFAQC-QWHCGFSZSA-N 351.447 1.587 0 50 FDAA O=C(O)C1([C@@H](O)CN2CCN(c3cccc(Cl)c3)CC2)CCOCC1 1875305983 OQODGPXXYWDZHQ-INIZCTEOSA-N 368.861 1.704 0 50 FDAA O=C(CCc1cncnc1)NCC=C1CCN(C(=O)c2ccns2)CC1 1875342806 IBLMGCPKAXKFJW-UHFFFAOYSA-N 371.466 1.845 0 50 FDAA COC1CC(CNC(=O)c2nc(C)c(C)c(N3CC[C@@H](N(C)C)C3)n2)C1 1875403898 JTNVVSVPDGBTKG-HWOWSKLDSA-N 361.490 1.389 0 50 FDAA Cc1nc(C(=O)NCc2n[nH]c(C)c2C)nc(N2CC[C@@H](N(C)C)C2)c1C 1875404144 WTDXYJXSXTZHDC-OAHLLOKOSA-N 371.489 1.504 0 50 FDAA COc1cccc(COCC(=O)N[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)c1 1875402280 DUEQGISHQGFECJ-CGTJXYLNSA-N 359.426 1.364 0 50 FDAA Cc1noc([C@H]2CC(=O)N(C3CN(C(=O)c4cccn4C4CC4)C3)C2)n1 888098499 MGYBZSDVGCRSCG-LBPRGKRZSA-N 355.398 1.355 0 50 FDAA Clc1ccc(-c2ncc(CN3CCO[C@H](c4nn[nH]n4)C3)cn2)cc1 2100534496 KWFWBCUYNGAQGZ-AWEZNQCLSA-N 357.805 1.884 0 50 FDAA CC(C)Oc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2C(=O)NC3)cc1Cl 2325789066 HHFJXNSQXYKWHW-GWCFXTLKSA-N 358.847 1.779 0 50 FDAA CN(CCNC(=O)c1ccc2c(c1)OCC(=O)N2)C(=O)CCC1CCC1 2325867392 URHDHTJBERKGFM-UHFFFAOYSA-N 359.426 1.786 0 50 FDAA COc1ccc(NS(=O)(=O)NC2=NC(=O)NC2=C(Cl)Cl)cc1 1857800922 RNNDGEWXEHGNJG-UHFFFAOYSA-N 365.198 1.710 0 50 FDAA CCOc1ccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 800590 JCWSCYCCFWEXIR-UHFFFAOYSA-N 360.391 1.869 0 50 FDAA O=C1CCCc2c1cc(C(=O)N1CCOCC1)c(=O)n2-c1ccccc1 809749 UXQWCPYRDJSQHV-UHFFFAOYSA-N 352.390 1.829 0 50 FDAA CCCO[C@H]1C[C@@H](C(=O)NCc2cc[nH]n2)CC[C@@H]1NC(=O)NC(C)C 2356138608 PAWGWBFPWQTCDA-BPUTZDHNSA-N 365.478 1.697 0 50 FDAA COc1cccc2c1C1(CCN(C(=O)[C@H](C)n3cncn3)CC1)OCC2 2356148919 ZZPJXVRINGLCMJ-AWEZNQCLSA-N 356.426 1.938 0 50 FDAA COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@]12CCCNC2=O 2356168385 BAIRVPWYZNWWGD-OAHLLOKOSA-N 358.847 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1.642 0 50 FDAA Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cccc2nn(C)nc12 1875249031 GBIBYHBOFJHPEN-UHFFFAOYSA-N 350.386 1.594 0 50 FDAA O=C(CN1C(=O)CCc2ccccc21)NCc1nnc2n1CCCCC2 110616190 BVXWNUUZWNCEIA-UHFFFAOYSA-N 353.426 1.600 0 50 FDAA O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)C[C@H]2CCOC2)CC1 329858755 WHAIBWGSUDDQJE-CQSZACIVSA-N 366.845 1.816 0 50 FDAA CC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)C1 245656606 CPDPRYJIGBYVLF-LXZKKBNFSA-N 358.442 1.491 0 50 FDAA O=C(O)C[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)CCO1 262782578 NJTXGDBEUYWLAL-JQWIXIFHSA-N 368.336 1.020 0 50 FDAA C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)c1ccco1)[C@H](C)N1CCOCC1 264315578 UFAKWZARSRVNKZ-JYJNAYRXSA-N 363.458 1.500 0 50 FDAA O=C1N[C@@H]2COC[C@H]1CN(c1cc(C(F)(F)F)nc(N3CCCC3)n1)C2 1704326352 WDIFPZCJIXNHRH-MNOVXSKESA-N 371.363 1.047 0 50 FDAA COc1ccc(Nc2cc(NCCN=c3cccn[nH]3)ncn2)c(OC)c1 1875258491 XHRKUQADZXLIIO-UHFFFAOYSA-N 367.413 1.973 0 50 FDAA CC(C)[C@H](F)C(=O)N1CCC2(CC1)CN([C@@H]1CCN(C(C)C)C1=O)C2 1875358170 MGYNMZIPIUUPJW-CVEARBPZSA-N 353.482 1.914 0 50 FDAA CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H]1CCc2n[nH]c(C)c2C1 1875312446 CRLBQKGCWCXXMG-APWZRJJASA-N 352.438 1.665 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1cccc(-c2cc[nH]n2)c1 1875401416 XQXHOOOEKFTHIV-FSPWUOQZSA-N 351.410 1.843 0 50 FDAA O=S(=O)(c1ccc(Br)cc1)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O 249594512 POUHJKIZIDWNPH-PWHOCRISSA-N 358.257 1.839 0 50 FDAA CCN1CCO[C@@H](CNC(=O)c2ocnc2C2CC2)[C@@H]1c1nccn1C 886027158 KMHPHLFLVWIJKF-DZGCQCFKSA-N 359.430 1.477 0 50 FDAA CN1CCO[C@@H](CNCC2=Cc3ccccc3OC2)[C@@H]1c1ccnn1C 886095025 KITCZJSVLLAEMQ-PMACEKPBSA-N 354.454 1.857 0 50 FDAA Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2Cc2nn(C)c(=O)n2C)c(C)n1C 888098920 MZACLBSTDKWDPV-GDBMZVCRSA-N 359.474 1.605 0 50 FDAA O=C(N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1)c1nn(-c2cccc(F)c2)ccc1=O 2325759776 RCAXXPQETKGRDK-MYFIVHGGSA-N 357.341 1.355 0 50 FDAA CO[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O 2325776898 MHMRBDJRIANNPI-CCKFTAQKSA-N 368.433 1.826 0 50 FDAA O=C1N[C@H](Cc2nccs2)C(=O)N[C@H]1Cc1ccc(C(F)F)cc1 2325787707 QOPLEDUMYKGJKT-NWDGAFQWSA-N 351.378 1.849 0 50 FDAA O=C1NC[C@H]2CC[C@H]1N2S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 2325789100 NWEJKFHVPZDWFD-ZYHUDNBSSA-N 364.345 1.378 0 50 FDAA COc1ccc2c(c1)CCC[C@]2(NC(=O)C[C@@H]1CCC(=O)N1C)C(=O)O 2325812833 LJGVFTCBGJCGSM-ORAYPTAESA-N 360.410 1.439 0 50 FDAA CCCNC(=O)CCCC(=O)N[C@@H]1CN(C(C)=O)CCc2ccccc21 2325868951 RGECSVMMCCFVPM-GOSISDBHSA-N 359.470 1.945 0 50 FDAA C=CC(=O)NCC(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O 2325888523 AEYOORSOLAEIFT-GFCCVEGCSA-N 366.215 1.121 0 50 FDAA C=CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CC(=O)N(c3ccccc3F)C2)C1 2325889600 YGYPABMIRPBJEV-ZIAGYGMSSA-N 359.401 1.472 0 50 FDAA CC(C)(CSc1nncn1N)NS(=O)(=O)c1ccc(Cl)cc1 803570 FMLAYTGETSAEDD-UHFFFAOYSA-N 361.880 1.495 0 50 FDAA CCn1cc(C(=O)N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)cn1 2356143572 NIKWMODWNFAPCF-LJQANCHMSA-N 354.458 1.879 0 50 FDAA CCOC(=O)Cc1nnc(NC(=O)CSc2nc(C)cc(C)n2)s1 2479951 AQKKHVJRCRSHIT-UHFFFAOYSA-N 367.456 1.781 0 50 FDAA O=C(NC[C@H]1CCCCN1C(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1 225438663 DTEBMCDMUWSQLZ-JKSUJKDBSA-N 364.467 1.232 0 50 FDAA Cc1nc2ncccn2c1C(=O)N1C[C@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1C2 101980014 FXUXFZLFLXRZMK-KFWWJZLASA-N 353.426 1.511 0 50 FDAA COc1ccc(F)c(CN2CCC[C@](O)(CNC3CCOCC3)C2=O)c1 67773703 AZANEQQECREXGC-IBGZPJMESA-N 366.433 1.456 0 50 FDAA O=C(NCCn1ncc2ccccc2c1=O)c1coc2c1C(=O)CCC2 67654280 RWRRFMZCBYDKRQ-UHFFFAOYSA-N 351.362 1.939 0 50 FDAA O=C(c1ccc2[nH]cnc2c1)N1CCN(C(=O)[C@H](O)c2ccccc2)CC1 118881301 DQDYDYZDUODSNI-GOSISDBHSA-N 364.405 1.581 0 50 FDAA CC[C@]1(C2CCN(C(=O)c3c(C)[nH]c(C(C)=O)c3C)CC2)NC(=O)NC1=O 67513734 UVUNCUIQNQFTAZ-LJQANCHMSA-N 374.441 1.675 0 50 FDAA CN(C[C@@H](O)COc1cccc(CNC(CO)CO)c1)C1CCCCC1 12208050 UNNPQEPSENSPCE-LJQANCHMSA-N 366.502 1.134 0 50 FDAA C[C@H](C(=O)NC1CCN(C)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 65362775 LPZIXGDNYALOFY-GFCCVEGCSA-N 373.906 1.705 0 50 FDAA O=C(O)c1cn(C[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)nn1 65406481 NSTQZAYSGGDKKM-CQSZACIVSA-N 364.427 1.218 0 50 FDAA CN1CCCN(c2ccc(C(=O)NCCCc3ccccn3)cn2)CC1 12308636 WRWSWXQJJYJJOF-UHFFFAOYSA-N 353.470 1.981 0 50 FDAA CCCn1cnnc1CN(C)C(=O)[C@H]1CCCN(C2CCN(C)CC2)C1 71765257 DCVTWPVAGAROPD-INIZCTEOSA-N 362.522 1.453 0 50 FDAA CCC[C@H](C)N1C[C@H](C(=O)N2C[C@H](O)C[C@@H]2c2nc(C)no2)CC1=O 328610542 IJSQLMJZXKUNEO-IGHBBLSQSA-N 350.419 1.049 0 50 FDAA CC(C)[C@@H]1OCCC[C@H]1Nc1cc(NCCCNS(C)(=O)=O)ncn1 328622602 BJGYVLSIFAUVMK-CJNGLKHVSA-N 371.507 1.443 0 50 FDAA CS(=O)(=O)N1CCO[C@@H](c2nnc(/C=C/c3ccc(F)cc3)o2)C1 328627023 FRWDUYSXTUONON-WXJAXGNASA-N 353.375 1.712 0 50 FDAA Nc1nccc(N2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)n1 71764958 HWULFXZKYJYSHZ-UHFFFAOYSA-N 351.414 1.376 0 50 FDAA CC[C@H](CO)N(Cc1ccncc1)C(=O)c1ccc2c(=O)n(C)cnc2c1 215864181 DBBKBNZKTQWBQY-MRXNPFEDSA-N 366.421 1.742 0 50 FDAA COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CN2CCCC2)c1 12112252 GTMCEJMFJFCHOU-SFHVURJKSA-N 364.486 1.487 0 50 FDAA Cc1cc(C(=O)N2CC3(CCN(C(=O)C4CC4)CC3)C[C@H]2C(=O)O)on1 72409700 SSUYKVPSHSINFS-ZDUSSCGKSA-N 361.398 1.301 0 50 FDAA Cc1nnc(NC(=O)COc2ccc3c(=O)n4c(nc3c2)CCC4)s1 36353694 YLBHVJRGRFSLKS-UHFFFAOYSA-N 357.395 1.520 0 50 FDAA O=C([C@@H]1CCCO1)N1CCN(c2nccc(CCC(F)(F)F)n2)CC1 71498842 HINLARPPVFYDHK-ZDUSSCGKSA-N 358.364 1.799 0 50 FDAA CN(C)C(=O)NCC(=O)N(C)[C@H]1CCCN(C2Cc3ccccc3C2)C1 72153070 YTQFJKWUMRRAGC-KRWDZBQOSA-N 358.486 1.348 0 50 FDAA Cc1[nH]nc2ncc(C(=O)NC[C@@H]3C[C@H](F)CN3c3cccnn3)cc12 375817149 UWGXOSJXAGEQDU-STQMWFEESA-N 355.377 1.403 0 50 FDAA COCCn1nnnc1[C@@H]1CN(Cc2nc3c(s2)CCCC3)CCO1 215779516 GMWIWHIXQCBATJ-ZDUSSCGKSA-N 364.475 1.228 0 50 FDAA Cc1ccn(C)c(=O)c1NC(=O)N1CCNC(=O)C[C@H]1c1ccccc1 155131044 MWGCWHFZUDOIJO-HNNXBMFYSA-N 354.410 1.789 0 50 FDAA O=C(CN1CCN(C(=O)[C@H]2CCCO2)CC1)NCc1ccc(Cl)cc1 35802362 SGGNSDAFUIZIJR-MRXNPFEDSA-N 365.861 1.279 0 50 FDAA O=C(NC[C@H]1CCCN(Cc2cccnc2)C1)C(F)(F)C1(O)CCC1 367059145 BUPUWYUGGLAQJK-OAHLLOKOSA-N 353.413 1.960 0 50 FDAA NCCCn1cc(C(=O)N2CCC[C@H](Nc3ccc(F)c(F)c3)C2)nn1 72152991 HVLILOCTTOXTPD-ZDUSSCGKSA-N 364.400 1.622 0 50 FDAA N=C(O)[C@@H]1CC[C@@H](CNC(=O)N2CC[C@@]3(CC(=O)c4ccccc4O3)C2)O1 334057454 WGHHTIHPRHNZFC-XGINMYPSSA-N 373.409 1.889 0 50 FDAA O=S(=O)(N[C@@H]1COCC[C@@H]1OCC1CC1)c1ccc2c(c1)OCCO2 219531501 UTUQBVMACSGHNS-CABCVRRESA-N 369.439 1.320 0 50 FDAA CCOCCn1c(=O)[nH]c2cc(C(=O)N(C)Cc3nnc(CC)o3)ccc21 77337302 CAUOKUZOJXWJHB-UHFFFAOYSA-N 373.413 1.584 0 50 FDAA O=C(CN1CCC[C@H](O)C1)NCc1noc(-c2c(F)cccc2F)n1 219732073 JJVFFQPUMBLKIN-JTQLQIEISA-N 352.341 1.088 0 50 FDAA COc1ccc(C(=O)N2CCN(c3ncnc4onc(C)c34)CC2)cc1 77338311 ZUDZBZLZLXBQLT-UHFFFAOYSA-N 353.382 1.897 0 50 FDAA Cc1ccc(N2C[C@H](NC(=O)c3nc(N)nc4c3CCCC4)CC2=O)cc1 222431465 ZXRNTDTYLJAOGX-CYBMUJFWSA-N 365.437 1.781 0 50 FDAA CN(C[C@H]1CCCN(c2ncncc2Br)C1)S(C)(=O)=O 286379879 FTQHJNOQUWCSLG-SNVBAGLBSA-N 363.281 1.347 0 50 FDAA O=C1CCc2cc(S(=O)(=O)N3[C@H]4CC[C@H]3[C@H](C(=O)O)C4)c(F)cc2N1 263501399 TUVRMSILGSYZLE-CWSCBRNRSA-N 368.386 1.337 0 50 FDAA CCN1CCN(C(=O)CCC2CCN(C(=O)c3nonc3C)CC2)CC1 19228892 BDGXJYMHDBGVRJ-UHFFFAOYSA-N 363.462 1.175 0 50 FDAA COc1ccccc1CC(=O)N1CCC[C@H](c2ccn(CC(=O)O)n2)C1 426662055 FNWXTMUJJMIMDD-HNNXBMFYSA-N 357.410 1.925 0 50 FDAA CN1CCC(OCCCNC(=O)c2ccc(-c3cnc(N)cn3)cc2)CC1 426589712 DAQRJKRNWFQNKY-UHFFFAOYSA-N 369.469 1.957 0 50 FDAA Cc1nn(C)c(C)c1CCC(=O)NCC[C@@H]1CCCCN1S(C)(=O)=O 82158514 BZYVDFVSRPLDST-HNNXBMFYSA-N 370.519 1.290 0 50 FDAA N[C@H]1CCCCN(Cc2cnc(NS(=O)(=O)c3ccccc3)nc2)C1 82109499 LBBHMGWGIIGXLN-HNNXBMFYSA-N 361.471 1.591 0 50 FDAA CCc1noc(CN(CC)C(=O)c2cnc(-c3cccnc3)nc2O)n1 91693785 QQUNJRAAGPPVPG-UHFFFAOYSA-N 354.370 1.852 0 50 FDAA CN(CC(=O)N1CCC2(CCC(=O)N(CCCO)C2)CC1)c1ccccc1 91664249 URKKIGSWYXUVEQ-UHFFFAOYSA-N 373.497 1.736 0 50 FDAA Cc1ccccc1SCC(=O)N1C[C@H]2CC[C@@H]1CN(S(C)(=O)=O)C2 92028279 CEEWMWUDUSBZIJ-LSDHHAIUSA-N 368.524 1.970 0 50 FDAA COc1ccc2c(c1)[C@@H](C(=O)N(C)C1CCS(=O)(=O)CC1)CC(=O)N2 91907814 NSIWFLOGYIGDCQ-AWEZNQCLSA-N 366.439 1.157 0 50 FDAA Cc1cc(Cn2nnc(C(=O)N(C)Cc3ccc4c(c3)OCO4)c2C)on1 292033432 QHGHADICNMMQQM-UHFFFAOYSA-N 369.381 1.932 0 50 FDAA Cc1ccccc1[C@@H]1CCN(CCNC(=O)N2CCS(=O)(=O)CC2)C1 426545194 YWSGTTMDLISIDD-MRXNPFEDSA-N 365.499 1.224 0 50 FDAA Nc1nnc(SCC(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)s1 95359480 RFXCCMBAPCSQHZ-CHWSQXEVSA-N 367.544 1.935 0 50 FDAA COCCc1nc(CNC(=O)Nc2ccc3c(c2)OC(F)(F)O3)no1 96131877 SLGIEBMBYFTWHY-UHFFFAOYSA-N 356.285 1.902 0 50 FDAA O=C(Cc1ccc(-n2cnnn2)cc1)N1CCC[C@](CO)(CC2CC2)C1 92001533 CDLUDKHDHQIOFJ-IBGZPJMESA-N 355.442 1.606 0 50 FDAA CN(C)c1nsc(N2C[C@H]3COc4ccccc4C[C@@]3(C(=O)O)C2)n1 95364368 WUQCQUPZJUGRTH-YVEFUNNKSA-N 360.439 1.746 0 50 FDAA O=C1C[C@@H](C(=O)N2CCN(C3CCCC3)C(=O)C2)CN1Cc1ccccn1 91819555 RDHBCTWVVYSYSX-OAHLLOKOSA-N 370.453 1.044 0 50 FDAA Cc1cc(=O)n(CC(=O)N2CCC[C@H](c3ccc(C(=O)O)cc3)C2)nc1C 95382042 WKKVFXKVBNATBG-KRWDZBQOSA-N 369.421 1.965 0 50 FDAA CCC[C@H]1CN(Cc2cccc(C)n2)C[C@@H]1NC(=O)CN1CCCC1=O 91707107 PIOSLTAYNXYNTE-WMZOPIPTSA-N 358.486 1.729 0 50 FDAA CCn1c(Cn2ccnc2)nnc1C1CCN(c2nccc(N)n2)CC1 91690713 YIOXPYKMEJIWLC-UHFFFAOYSA-N 353.434 1.299 0 50 FDAA CNC(=O)CN1C[C@H](c2ccccc2)[C@@H](NC(=O)C2(COC)CCC2)C1 91636223 WKECXVCOWRLLJE-SJORKVTESA-N 359.470 1.133 0 50 FDAA CCc1nnsc1C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2=O 91656540 XEVDNMZMIWQYKW-GXTWGEPZSA-N 371.466 1.759 0 50 FDAA O=C(Cc1cccc(F)c1)N[C@@H]1CCN(C(=O)c2ccccn2)C[C@H]1O 244700957 JXEVAQJFOCJQAK-NVXWUHKLSA-N 357.385 1.155 0 50 FDAA CC[C@H](CN)C[C@H](C)CNC[C@H](O)CNC[C@@H](CC)C[C@H](CC)CN 253387886 IVISPTZPBRWANF-HVTWWXFQSA-N 358.615 1.939 0 50 FDAA COCCc1noc(CN2CCNC(=O)[C@H]2c2ccccc2Cl)n1 183521444 SFWRWFKNVGTTLR-OAHLLOKOSA-N 350.806 1.585 0 50 FDAA CO[C@@]12CC[C@@H](NC(=O)c3cccnc3)C[C@@H]1N(Cc1nonc1C)CC2 534592763 QFJGOWTVWAPCEE-HHXXYDBFSA-N 371.441 1.715 0 50 FDAA C[C@H]1C(=O)N(C)CCN1C(=O)NCc1nc(-c2ccccc2Cl)no1 534632900 JOSZSHNANAHYLB-JTQLQIEISA-N 363.805 1.762 0 50 FDAA CCN(CC)Cc1cnc2c(C(=O)N3CCCC[C@@H]3C(N)=O)cnn2c1 67688759 JNPFFCXZAIDERO-OAHLLOKOSA-N 358.446 1.051 0 50 FDAA CC(C)Cc1ccc(CN2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)cc1 299764565 JDULIJHDTWLFIK-QZTJIDSGSA-N 369.531 1.216 0 50 FDAA CC1(C)NC(=O)N(CC(=O)NCCCc2nc3cc(F)ccc3[nH]2)C1=O 299757608 KZQBRYFSEDECLR-UHFFFAOYSA-N 361.377 1.081 0 50 FDAA O=C1CCCN1CCc1nc(Cc2cccnc2)nn1CC(F)(F)F 670459477 MKXOUTXBJBPXLA-UHFFFAOYSA-N 353.348 1.991 0 50 FDAA Cc1noc(C)c1CC(=O)N[C@H]1CCN(Cc2c(C)noc2C)C[C@@H]1O 1565530842 RPCZJHZORSWGHR-IRXDYDNUSA-N 362.430 1.190 0 50 FDAA COCCn1cc(S(=O)(=O)N(C)[C@@H]2CCCc3nc(C)sc32)cn1 269583286 ANCHLHWSNIYMPP-CQSZACIVSA-N 370.500 1.993 0 50 FDAA O=C(c1cccnc1)N1CCC(NCc2noc([C@@H]3CCCO3)n2)CC1 1506429661 VTVVMCVLKNCXDJ-HNNXBMFYSA-N 357.414 1.711 0 50 FDAA O=C(c1nnc(O)c2ccccc12)N1CCCN(C(=O)C(F)(F)F)CC1 1506413719 LTKUJPYYYSSNJH-UHFFFAOYSA-N 368.315 1.572 0 50 FDAA COc1ccccc1OC(C)(C)C(=O)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704354606 JIROJKGIKXMCJT-GDBMZVCRSA-N 371.437 1.705 0 50 FDAA CCn1nc(CO)c2c1CCN(c1cc(C(=O)N3CCCC3)ccn1)C2 1704360439 YNSCLWLFBWEDFR-UHFFFAOYSA-N 355.442 1.589 0 50 FDAA O=C(NCc1cccn2nccc12)C1CCN(C(=O)[C@@H]2CCCO2)CC1 1772813221 VRIYPZHTOGKPGC-KRWDZBQOSA-N 356.426 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COc1ccc([C@H](CC(=O)O)NC(=O)CSc2nnc(N)s2)cc1 4653857 LTOPDXMGQAYQEL-JTQLQIEISA-N 368.440 1.553 0 50 FDAA Cc1cc(NC(=O)c2cc3c(=O)[nH]ccn3n2)ccc1N1CCN(C)CC1 2325769794 OIIJDGNFHOKTAC-UHFFFAOYSA-N 366.425 1.335 0 50 FDAA Cn1nc2c(c1C(=O)N[C@@H]1C[C@H](Cn3cc(Cl)cn3)C[C@H]1O)CCC2 2325785518 BZYCYBIQFCXYNU-COLVAYQJSA-N 363.849 1.328 0 50 FDAA O=C1N=C(NS(=O)(=O)Nc2ccc(F)cc2)C(=C(Cl)Cl)N1 1857800964 VCOSBQLUSRFVES-UHFFFAOYSA-N 353.162 1.840 0 50 FDAA O=C(CSc1ncnc2c1cnn2-c1ccccc1)N1CCOCC1 781937 ZAHNTQVFDFFNHY-UHFFFAOYSA-N 355.423 1.766 0 50 FDAA O=C(c1ccc(F)cc1)N1CCN(c2nnnn2-c2ccccc2)CC1 2890941 KFTBMOFCZSSTTC-UHFFFAOYSA-N 352.373 1.764 0 50 FDAA COc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1NC(C)=O 7728085 LYHQYRCPMBAPNC-UHFFFAOYSA-N 355.460 1.418 0 50 FDAA Cc1cc(-c2cnn(CC(=O)Nc3nn(C)c4ccccc34)c2)nc(N)n1 55224820 XYFJWVSLSKVTTM-UHFFFAOYSA-N 362.397 1.756 0 50 FDAA CCCCC1=NC(=O)C2(CCN(C(=O)[C@H](NC(C)=O)C(C)C)CC2)N1 55576112 CTVSCTIYTNRZTF-OAHLLOKOSA-N 350.463 1.227 0 50 FDAA CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCOCC1 9873494 CTVDGOQDDMGRAC-HOCLYGCPSA-N 354.472 1.547 0 50 FDAA C[C@H]1CN(C(=O)c2cc(Cl)c3ccccc3n2)CCN1S(C)(=O)=O 225806311 CBIYEHYRQPYLOD-NSHDSACASA-N 367.858 1.994 0 50 FDAA C[C@@H](NC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@H]1C)c1ccccc1 248380718 QZBGWPBNRNTYIL-ZIAGYGMSSA-N 373.478 1.962 0 50 FDAA O=C(c1ccccc1F)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 67629888 DZPARORYFMNVDB-UHFFFAOYSA-N 352.373 1.764 0 50 FDAA CCn1c(C)nnc1SCCNC[C@]1(O)CCCN2CCCC[C@@H]21 63881811 PVOVLQNXISHUKH-NVXWUHKLSA-N 353.536 1.668 0 50 FDAA O=C1N(CC2CCC2)CCC[C@@]1(O)CN1CCC(Nc2ncccn2)CC1 67641488 PVZXFLYZAZIMKJ-HXUWFJFHSA-N 373.501 1.507 0 50 FDAA CCn1nc(C(=O)O)c2c1CCN(C(=O)Cc1ccc3[nH]c(C)nc3c1)C2 67804394 FVWNXLVFRDNAMJ-UHFFFAOYSA-N 367.409 1.913 0 50 FDAA O=C(NC[C@H]1CCN(C2CC2)C1)N1CCN(CCOc2ccccc2)CC1 121154569 PISCXHNEAAWTAV-GOSISDBHSA-N 372.513 1.877 0 50 FDAA O=c1[nH]c(N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)nc2c1CCNCC2 67947509 BCHUJQXRZMUDTG-CYBMUJFWSA-N 364.453 1.718 0 50 FDAA 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350.390 1.491 0 50 FDAA COc1ccc([C@H](NC(=O)c2n[nH]c3c2CN(C)CC3)C2CC(O)C2)cn1 223517123 CHGSCAFJBSVUOQ-FVKWTLKZSA-N 371.441 1.043 0 50 FDAA CC(C)[C@@H](NC1CCOCC1)C(=O)NCc1ccnc(-n2ccnc2)c1 175578043 ONFJANSTGPJMJG-GOSISDBHSA-N 357.458 1.677 0 50 FDAA CC1=C(C(=O)N[C@@H]2CCCN(Cc3cccnc3)C2)SC2=NCCN21 220755417 IQXSEDZIOIYAPY-OAHLLOKOSA-N 357.483 1.812 0 50 FDAA CN(CCCc1nccn1C)C(=O)c1ccc(-c2cnc(N)nc2)cc1 426502806 APAXPKKUTSOJLF-UHFFFAOYSA-N 350.426 2.164 0 50 FDAA C[C@H](Oc1ccccc1)C(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2 82106870 GWIBFEDEYUULBZ-AWEZNQCLSA-N 371.441 1.464 0 50 FDAA O=C(N[C@H]1CCOC[C@H]1C1CCOCC1)c1cccc(-n2cnnc2)n1 223281192 KSIVQKBCLARXEA-GJZGRUSLSA-N 357.414 1.224 0 50 FDAA CC[C@H](O)c1cc2n(n1)CCN(C(=O)c1sc3nc[nH]c(=O)c3c1C)C2 221335564 KSOHXWHBEQGGSH-LBPRGKRZSA-N 373.438 1.589 0 50 FDAA COCC(=O)N1CCCN(C(=O)NCCc2ccccc2Cl)CC1 426389229 HVDNPGMYUULHEV-UHFFFAOYSA-N 353.850 1.773 0 50 FDAA Cn1ncc(N2CCC(CNC(=O)c3cc(C4CC4)n[nH]3)CC2)cc1=O 82039577 PCWQBXRZFICSBI-UHFFFAOYSA-N 356.430 1.027 0 50 FDAA O=C(NCCc1noc([C@H]2CCCO2)n1)c1cnc(-c2cccnc2)nc1 95387757 OGWNXIGYDLFCRX-CQSZACIVSA-N 366.381 1.746 0 50 FDAA CCCn1cc(NC(=O)N[C@@H]2CC(=O)N(c3ccccc3OC)C2)nn1 95502404 JZGOSLJTIZRUAZ-GFCCVEGCSA-N 358.402 1.624 0 50 FDAA Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(c1ncnc3[nH]cnc13)C2 91326040 VQASVSDQYCOWFQ-QWHCGFSZSA-N 367.413 1.585 0 50 FDAA CS(=O)(=O)N1CCCN(C(=O)c2c[nH]nc2C2CCCCC2)CC1 97578614 DECCAWVAQFQZES-UHFFFAOYSA-N 354.476 1.565 0 50 FDAA Cc1nc2n(c1C(=O)N(C)C)CCN(C(=O)Nc1ccc3c(c1)OCO3)C2 96164267 OZKDMMURWAHWJS-UHFFFAOYSA-N 371.397 1.670 0 50 FDAA NC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1 292623131 YGLGILABKJLMHP-MSOLQXFVSA-N 358.486 1.948 0 50 FDAA CN1CCN(Cc2c[nH]c(CC3CCCC3)n2)C[C@]12CCNC(=O)CC2 91635711 XUQBJVMOZKWLID-FQEVSTJZSA-N 359.518 1.929 0 50 FDAA O=C1NC2(CCN(C(=O)CCN3CCCC3=O)CC2)C[C@@H]1c1ccccc1 95374396 RXVQLUBRUYZFNF-QGZVFWFLSA-N 369.465 1.664 0 50 FDAA c1cn(Cc2nnc(C3CCN(Cc4c[nH]cn4)CC3)n2C2CC2)cn1 91320643 GDIRCLDMZMRZCJ-UHFFFAOYSA-N 352.446 1.961 0 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Cn1ccnc1CCN1CCOC2(CCN(Cc3cncnc3)CC2)C1 825641693 XBLZZJBGFAIBSR-UHFFFAOYSA-N 356.474 1.120 0 50 FDAA COc1c(N)ccnc1-c1ccc(C(=O)NCC2(CO)CCOCC2)cc1 584887893 CHXNIYLISNDUAE-UHFFFAOYSA-N 371.437 1.858 0 50 FDAA CCCn1cnnc1CNS(=O)(=O)c1ccc(-c2n[nH]c(C)c2C)o1 670467114 BONLDEUZOWNXFZ-UHFFFAOYSA-N 364.431 1.767 0 50 FDAA Cc1cc(C)n([C@H]2CCN(C(=O)NCc3nc(-c4cnccn4)n[nH]3)C2)n1 670445291 MAUKGVHYPCOFRB-ZDUSSCGKSA-N 367.417 1.232 0 50 FDAA O=C(C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)NC1CCC1 55244560 ORVIUXOHGVFWHX-OAHLLOKOSA-N 353.825 1.838 0 50 FDAA OC[C@@H]1CCCN(CCNCc2cc3cc4c(cc3nc2O)OCO4)C1 952969309 AXLALYUGXFPMSG-CYBMUJFWSA-N 359.426 1.463 0 50 FDAA CC(=O)c1cccc(CN2CC[C@H](CNC(=O)N3CCCC3)[C@@H](O)C2)c1 1565526922 UVOXPGOJXUDALJ-MOPGFXCFSA-N 359.470 1.877 0 50 FDAA CCN(CC)C(=O)CS(=O)(=O)N1CCN(c2ccccc2F)CC1 170599241 BLYOQMVSKJBPQZ-UHFFFAOYSA-N 357.451 1.146 0 50 FDAA O=C(Cn1nc(-c2ccccc2)ccc1=O)NCCCOc1ccncc1 170597981 OMFLBBXGLVOVCS-UHFFFAOYSA-N 364.405 1.891 0 50 FDAA C[C@@H](Nc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1)c1ccccn1 276078659 OGHNDULIIUOINH-CYBMUJFWSA-N 360.439 1.520 0 50 FDAA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 188326691 ZEGCLWNHRPNYGZ-NXWXRZEISA-N 355.438 1.899 0 50 FDAA Cc1cc(C(=O)N2CCN(C(=O)c3coc(C)c3)[C@H](C(=O)N(C)C)C2)co1 188426864 BWNKXVOBPVAZPX-INIZCTEOSA-N 373.409 1.544 0 50 FDAA Cc1cccc(CN(C[C@@H]2CCCO2)C(=O)CCCS(N)(=O)=O)c1 1506428675 RQNLQUYPGYUOJB-INIZCTEOSA-N 354.472 1.571 0 50 FDAA Cc1cc(C)n(C[C@@H](C)NC2CCN(C3CCS(=O)(=O)CC3)CC2)n1 1506413066 GQAGZPJCVUDCLE-OAHLLOKOSA-N 368.547 1.520 0 50 FDAA CN(CCN(C)C1CCCC1)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 1529141476 GCIMQBSPCQVGFX-MOPGFXCFSA-N 359.470 1.576 0 50 FDAA CCC[C@H]1CN(CC(=O)NCc2cc(C(=O)O)ccc2C)C[C@@H]1N(C)C 220162031 DRKISNUUDFDTEX-WMZOPIPTSA-N 361.486 1.972 0 50 FDAA CN(C)C(=O)N1CC[C@@H]2CN(C(=O)c3cc(-c4cccn4C)n[nH]3)C[C@@H]21 222027194 CWXWNNMFKPQOKP-WBMJQRKESA-N 356.430 1.243 0 50 FDAA CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(Br)cc1 3464938 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366.425 1.342 0 50 FDAA Cc1[nH][nH]c2nccc(=NCC3(S(=O)(=O)NC(C)(C)C)CCC3)c1-2 2325861109 GBJTVEFKTYCRKX-UHFFFAOYSA-N 351.476 1.692 0 50 FDAA COC(=O)c1cccc([C@@H](N)C(=O)Nc2ccc(-c3nc[nH]n3)cc2)c1 2325872171 LBLNVQUWVFHQLT-OAHLLOKOSA-N 351.366 1.897 0 50 FDAA C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCO2 1077904 UWCSLVCMVIAVJX-SNVBAGLBSA-N 366.370 1.860 0 50 FDAA O=Cc1ccccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1 1135442 ITIJDINQLXPYHB-UHFFFAOYSA-N 371.397 1.150 0 50 FDAA CCSc1nc(CC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cs1 55211509 PELZDNGFKLNKNK-ZDUSSCGKSA-N 369.512 1.647 0 50 FDAA Cc1cc2[nH]cc(C(=O)N3CCCN(Cc4cccnc4)CC3)c(=O)n2n1 102836806 DTOBKSWSTQUOQG-UHFFFAOYSA-N 366.425 1.074 0 50 FDAA CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(C)(C)C2CCC(O)CC2)C1 416238212 DRDXAEJMLYVOKB-YMAMQOFZSA-N 360.520 1.446 0 50 FDAA CC(C)CNC(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O 170625219 NCCUJAMFBLKJNG-INIZCTEOSA-N 356.426 1.793 0 50 FDAA biogenic COCCCn1c(CN2CCC[C@@H](C(C)=O)C2)cnc1S(C)(=O)=O 55153338 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SROPQGAWFYNBJM-CQSZACIVSA-N 358.398 1.417 0 50 FDAA COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)o3)CC2)cc1 13331547 DLLPIVSWADFDBL-UHFFFAOYSA-N 364.423 1.743 0 50 FDAA CCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1 13669979 YMTFLEXHVCUHSR-UHFFFAOYSA-N 369.487 1.220 0 50 FDAA COCC(=O)N1CC(=O)N(CC(C)C)C[C@H](OCc2cccc(F)c2)C1 14534795 QIFWFDNIHBGZGQ-KRWDZBQOSA-N 366.433 1.684 0 50 FDAA Cn1cc(CCC(=O)N[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)cn1 15073949 YXYUEQFEAUSQLA-HNNXBMFYSA-N 360.845 1.923 0 50 FDAA CCn1c(O)nnc1[C@@H]1[C@H](C2CC2)CCN1C(=O)c1n[nH]cc1Cl 1857531655 LRNTWHKHKCQGOR-CABZTGNLSA-N 350.810 1.994 0 50 FDAA Cc1nc(CNC(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)c(C)s1 124504642 YQLSACHRBILZKU-LBPRGKRZSA-N 362.459 1.488 0 50 FDAA COCCn1c(=O)c2c(nc3n2CCN3c2cccc(C)c2C)n(C)c1=O 10233782 UOALDNAGRRAAFC-UHFFFAOYSA-N 369.425 1.312 0 50 FDAA O=C(O)[C@H]1CN(C(=O)c2csc(Cc3ccccc3F)n2)CCO1 238131763 LYVLWEPHRVGDGB-CYBMUJFWSA-N 350.371 1.799 0 50 FDAA Cc1ccc(CN2CCC[C@H](n3cc(C(=O)NCCCO)nn3)C2)cc1 14988792 GKRVCZZRLNNAPB-KRWDZBQOSA-N 357.458 1.536 0 50 FDAA Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N1CCN(C)C[C@H]1C(C)C 151257566 LRPCKZADEUSKDW-KRWDZBQOSA-N 369.469 1.481 0 50 FDAA O=C(O)CC[C@@H]1CC[C@H](C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)O1 911504420 DYPDOMYHDPWQRD-DZGCQCFKSA-N 362.430 1.348 0 50 FDAA O=C(N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12)C1CCN(C(=O)c2ccccc2)CC1 923202302 OGUAMPDNGXICBF-TWMKSMIVSA-N 356.422 1.764 0 50 FDAA COc1ccnc(NC[C@H]2C[C@@H](OC)CN2c2cc(N(C)C)ncn2)n1 952886531 BISQZPZLSSGCAX-CHWSQXEVSA-N 359.434 1.047 0 50 FDAA Cc1cnn(-c2cccc(N3CCC([C@@H]4CC[C@H](C(N)=O)O4)CC3)n2)c1 952890243 QJEGUGJFMYXTON-JKSUJKDBSA-N 355.442 1.825 0 50 FDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NC3CC(CCOC)C3)C2)n1 1875397558 DTSAGXOXZSBKBZ-HWOWSKLDSA-N 361.490 1.436 0 50 FDAA O=C(N[C@H]1CC2(CN(C(=O)C34CC(C3)C4)C2)n2ccnc21)[C@@H]1CC12CC2 1875407997 MDEUEDWDRNHCRT-AWTNTWDUSA-N 352.438 1.582 0 50 FDAA Cn1ncc2ncc(C(=O)NCCS(=O)(=O)c3ccc(F)cc3)cc21 2100542808 GNBUJBWHYFFHEI-UHFFFAOYSA-N 362.386 1.311 0 50 FDAA O=C(N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O)[C@]1(c2ccccc2)C[C@H](O)C1 2325786157 IIONHYOEGOUNOI-AUCSYDQHSA-N 355.438 1.232 0 50 FDAA COCC1(C(=O)N[C@@H]2CCCN(c3ccc(F)c(F)c3)C2=O)COC1 2325811939 WWNNXLKKSACPFR-CQSZACIVSA-N 354.353 1.239 0 50 FDAA CC1(C)CC(=O)[C@H]([C@@]2(O)C(=O)Nc3ccc(Br)cc32)CO1 849608 VKDTYZYFTAYPCQ-MEBBXXQBSA-N 354.200 1.973 0 50 FDAA biogenic COCCN1CCC[C@]2(CCCN2CCCc2cnc3ncnn3c2)C1=O 2356155745 LMZSGNKWNMYSDJ-IBGZPJMESA-N 372.473 1.160 0 50 FDAA CCCN1CCC[C@@]2(CCCN2C(=O)c2cnc(N(C)C)nc2C)C1=O 2356165646 MIQITCCUNKEFCL-LJQANCHMSA-N 359.474 1.858 0 50 FDAA NC(=O)[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)O 4769717 UTUPXKNHKQWEAT-UONOGXRCSA-N 357.318 1.008 0 50 FDAA CNS(=O)(=O)c1ccc(CN(Cc2cnn(C)c2)CC(C)C)cc1 55343518 NANVAZLFIJGWRL-UHFFFAOYSA-N 350.488 1.986 0 50 FDAA C[C@@H]1CCCCN1c1ccc(C(N)=O)cc1NC(=O)CS(C)(=O)=O 55386351 OGLTXDSTGTYFAL-LLVKDONJSA-N 353.444 1.147 0 50 FDAA COc1cccc(OC[C@H](O)CNC(=O)CSc2nnc(C)s2)c1 55119495 NQTLNXLOXPMFKD-LLVKDONJSA-N 369.468 1.503 0 50 FDAA COc1cc(CN2CCN(c3cc(N)ncn3)C[C@H]2CCO)cc(OC)c1 106945801 GXRSGHNKUPXIGW-OAHLLOKOSA-N 373.457 1.149 0 50 FDAA CN1CCCn2nc(C(=O)N(Cc3ccccn3)C[C@@H]3CCCO3)cc2C1 65497048 DDXWEAZWGAUSTI-SFHVURJKSA-N 369.469 1.935 0 50 FDAA CC(C)Oc1cccc(NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)c1 10337842 MRSXDENJYXEYBU-UHFFFAOYSA-N 369.487 1.931 0 50 FDAA CCOc1ncccc1C(=O)N1CCC(c2nn(C)c(=O)n2CC)CC1 67695255 JXMQYAZRFQHRIL-UHFFFAOYSA-N 359.430 1.415 0 50 FDAA COc1cc2c(cc1OC)CN(C[C@H](O)COC[C@H]1CCCO1)CC2 247958691 POLRSWCWPQNOOX-DLBZAZTESA-N 351.443 1.618 0 50 FDAA COc1ccc(S(=O)(=O)N2CCC3(CCN(C)CC3)C2)c(OC)c1 65530720 BWRIYWQJGYIECY-UHFFFAOYSA-N 354.472 1.810 0 50 FDAA O=C(CO[C@@H](c1ccccc1)C(F)(F)F)N1CCc2c(nc[nH]c2=O)C1 71761987 LOEAENALIVWJFL-HNNXBMFYSA-N 367.327 1.975 0 50 FDAA Cc1ccc(OC[C@H](C)NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 65362180 UFQPVZOWYKTJEA-LSDHHAIUSA-N 354.472 1.550 0 50 FDAA COC(=O)c1cc2n(n1)CCCN(C(=O)CC(=O)Nc1cccc(C)c1)C2 65422502 ILIHJSRRJFJDPN-UHFFFAOYSA-N 370.409 1.739 0 50 FDAA CC(C)C(=O)Nc1nc(CC(=O)N2CCC(O)(C(F)F)CC2)cs1 331133278 DHYJYHHRWDGEAG-UHFFFAOYSA-N 361.414 1.899 0 50 FDAA CCn1c([C@H]2CCCN(C(=O)c3cccc(-n4cnnc4)c3)C2)n[nH]c1=O 67563365 BARICFNBNMGVLV-AWEZNQCLSA-N 367.413 1.192 0 50 FDAA Cn1cc([C@@H]2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)cn1 172076437 GUVLBSVGINQZQM-LLVKDONJSA-N 362.411 1.043 0 50 FDAA COc1cc(-c2nnn(CC(=O)NC3CCCC3)n2)cc(OC)c1OC 1424485 RXAQSSUEUFEYLD-UHFFFAOYSA-N 361.402 1.425 0 50 FDAA Cc1cccc(N2CCC(N3CCN[C@@H](C(=O)NC4CC4)C3)CC2)c1C 72165859 XBCSSCXZFWFNLB-LJQANCHMSA-N 356.514 1.825 0 50 FDAA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)N=c1cc[nH]cc1F 328628595 NXZJHPVTAVJOMA-SUMWQHHRSA-N 360.437 1.923 0 50 FDAA Cc1nnc(CN(C)[C@H]2CN(Cc3cccc(Cl)c3F)C[C@H]2O)o1 328632975 LQWDTQZAXJNRBD-UONOGXRCSA-N 354.813 1.848 0 50 FDAA Cc1cc(C)n(C)c(=O)c1C(=O)N1CCOC[C@H]1CC(=O)NC1CC=CC1 72144179 GXKDRLOQNCXNKR-MRXNPFEDSA-N 373.453 1.068 0 50 FDAA CC(C)c1nc([C@H]2CCCCCN2S(=O)(=O)[C@H](C)C(=O)N(C)C)no1 365118702 WMHDPZJNFRVTHD-CHWSQXEVSA-N 372.491 1.917 0 50 FDAA O=C(Cn1c(=O)oc2ccccc21)NCc1cccc(-c2nnn[nH]2)c1 218143270 LDYOOGKWHJJCPZ-UHFFFAOYSA-N 350.338 1.091 0 50 FDAA CC(C)CCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2cnccn2)[C@@H]3C1=O 77377619 WKIOYNHKNSXNJN-LJCCNALRSA-N 370.453 1.263 0 50 FDAA C[C@@H]1C[C@@H](C)CN(S(=O)(=O)Nc2ccc(-n3nnnc3O)cc2)C1 443406922 GNKALNIQHWNYMS-GHMZBOCLSA-N 352.420 1.003 0 50 FDAA C[C@@H]1CN(C(=O)NCC[C@@H]2COc3ccccc3O2)CCS(=O)(=O)C1 332999131 ANQNVVAYMXBCDA-ZIAGYGMSSA-N 368.455 1.293 0 50 FDAA CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@@H]3[C@H]3CCCO3)cc21 367399871 RJGBPQFCYLLSPR-SJLPKXTDSA-N 364.467 1.928 0 50 FDAA CC(C)S(=O)(=O)N1CCC(NC(=O)C2CN(C3CCCCC3)C2)CC1 333964523 PCQUGXZDDWLBBK-UHFFFAOYSA-N 371.547 1.570 0 50 FDAA Cc1nc2c(c(N3CCC[C@@H](O)C3)n1)CCN(Cc1ccccn1)CC2 72428597 FOCIRKUTXGVSJM-QGZVFWFLSA-N 353.470 1.742 0 50 FDAA CCN1CCN(C(=O)Nc2cc(F)ccc2C)[C@H]2CS(=O)(=O)C[C@H]21 77375698 BESPXXJRAYBMIW-CABCVRRESA-N 355.435 1.469 0 50 FDAA CN(C)c1nc(-c2cccnc2)nc2c1CCN(C(=O)CN1CCCC1)C2 72167053 QWFAKXHSRJTTOI-UHFFFAOYSA-N 366.469 1.585 0 50 FDAA Cc1ccc(C(=O)N2CC3(CCN(C(=O)C4CC4)CC3)C[C@H]2C(=O)O)cn1 72457821 NNYQNGCFZMWQEW-INIZCTEOSA-N 371.437 1.708 0 50 FDAA COc1ccccc1C(=O)N1CCN(C(=O)COC[C@@H]2CCCO2)CC1 77301687 JNPVKGYYIPKGDR-HNNXBMFYSA-N 362.426 1.175 0 50 FDAA Cc1nn(C)c(C)c1CNC(=O)[C@H]1CCCCN1C(=O)c1cccnc1 174067692 AVVDZBKYFHGEEF-QGZVFWFLSA-N 355.442 1.743 0 50 FDAA CN(CCNc1cc([C@@H]2CCOC2)ncn1)C(=O)c1ccc2c(c1)OCO2 426684568 VRFWVELXNLZDGX-CQSZACIVSA-N 370.409 1.893 0 50 FDAA Cn1ccnc(N2CCC[C@@H](NC3CCN(c4ccncc4)CC3)C2)c1=O 291424798 ILWDMFQYEORWFO-QGZVFWFLSA-N 368.485 1.403 0 50 FDAA Cc1csc(CN(C)C(=O)CC[C@@]2(CCC(=O)O)CCC(=O)N2)n1 223246745 XVCPEOIBCLVETM-MRXNPFEDSA-N 353.444 1.704 0 50 FDAA Cc1nc(N(C)C)ncc1C(=O)N1CCN(c2ccccc2Cl)C(=O)C1 82138537 XGKYOKJBTXLLMK-UHFFFAOYSA-N 373.844 1.993 0 50 FDAA CCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)CCc2c(C)nn(C)c2C)C1 222469603 KEYPONXKUBVJAJ-HDJSIYSDSA-N 360.462 1.136 0 50 FDAA CCOc1ccc(C[N+]2=c3c(Cl)cccc3=C(NO)C2=O)cc1OC 334159442 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364.413 1.653 0 50 FDAA O=C(CCc1cc2n(n1)CCN(C(=O)c1cccc(O)c1)C2)N1CCCC1 91620250 LPOQMFASORVNDI-UHFFFAOYSA-N 368.437 1.800 0 50 FDAA Cc1nnc(CN2C[C@H](C(C)C)[C@@H](NC(=O)C3CCOCC3)C2)s1 91849378 GWXMSBRZFRSYFV-CABCVRRESA-N 352.504 1.846 0 50 FDAA Cc1cc(=O)n(CC(=O)N2CCCN(c3ccc(F)cc3)CC2)nc1C 95357010 VVDQXDACADOWDS-UHFFFAOYSA-N 358.417 1.738 0 50 FDAA COc1cc(C(=O)NCCc2nc(C)n[nH]2)ccc1OC1CCN(C)CC1 95504204 KJFKVWKLGBTGHN-UHFFFAOYSA-N 373.457 1.567 0 50 FDAA Cc1cc(C)n(CC(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3C)C2)c(=O)n1 91665174 DMSUSTAHWBMIPA-DLBZAZTESA-N 369.421 1.495 0 50 FDAA Cc1nc(C)c(C(=O)N[C@H]2C[C@@H](c3nnc(Cn4cccn4)n3C)C2)s1 244811379 SBRYERBWZYAOAR-BETUJISGSA-N 371.470 1.809 0 50 FDAA O=C(O)C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CCCCCC3)C2)CCO1 299752002 SHYCLYUOBJETEK-UKRRQHHQSA-N 352.431 1.260 0 50 FDAA CC(=O)NCc1ccc(C(=O)N2C[C@@H](C(=O)O)[C@H](C(F)(F)F)C2)cc1 299742885 JBUNJNIAOJPNAF-CHWSQXEVSA-N 358.316 1.658 0 50 FDAA CN1C(=O)CC[C@@H](C(=O)NCc2cccc(C(=O)O)c2)[C@H]1c1cnn(C)c1 299739745 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O=C(N[C@H]1CCOC[C@@H]1OCc1ccccn1)C1(Cn2cccn2)CC1 1565510879 DVVHRUKJSKJRNF-IRXDYDNUSA-N 356.426 1.549 0 50 FDAA CCc1nc2cc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)ccc2n1CC 952985696 GTXWXAFQUZIJJO-HNNXBMFYSA-N 364.471 1.981 0 50 FDAA CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cccc(CC3CCNCC3)c1)C2 75927193 RYSVQEACTKKNRY-MOPGFXCFSA-N 355.482 1.922 0 50 FDAA CCN1CCNC(=O)[C@@H]1CC(=O)Nc1ccc(N2CCCC2=O)c(C)c1 952983616 WBKZFPBULVSBPH-INIZCTEOSA-N 358.442 1.271 0 50 FDAA Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)CO3)c(-n2cncn2)n1 170610091 LUSSWTXUYOSWEI-UHFFFAOYSA-N 364.365 1.232 0 50 FDAA COc1ccc(O)c(S(=O)(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)c1 1475033439 MLCGXFSJXBFMDN-UHFFFAOYSA-N 356.444 1.421 0 50 FDAA O=S(=O)([C@H]1CCN(Cc2nccn2-c2ccccc2)C1)N1CCCC1 170611884 ADVWTNQIBJLAFU-KRWDZBQOSA-N 360.483 1.872 0 50 FDAA Cc1ccc(C(=O)N2CCC(NS(=O)(=O)C[C@H]3CCCO3)CC2)cc1 171108976 AQRGBOPIXQOBTJ-QGZVFWFLSA-N 366.483 1.698 0 50 FDAA Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC[C@H](C(=O)O)C(C)C 274952426 GLMFWESKNMPTTM-LBPRGKRZSA-N 363.457 1.034 0 50 FDAA Cc1nc(C)c(C(=O)N2CCN(C)[C@H](c3nc(C4CC4)no3)C2)nc1C 408036784 XCYOPOLGRIUFME-AWEZNQCLSA-N 356.430 1.791 0 50 FDAA CCN1CCOC[C@@H]1C(=O)NS(=O)(=O)c1ccc2c(c1)CCCC2 408297865 MBNCTUBEWDSZBE-MRXNPFEDSA-N 352.456 1.091 0 50 FDAA Cn1cc(N2CCN(C(=O)N[C@H]3CCOc4c(F)cccc43)CC2)cn1 188351098 BRCZHTDNYLHFQH-INIZCTEOSA-N 359.405 1.915 0 50 FDAA CCC[C@H]1COC[C@H]2CN(C(=O)c3cc(C)nc4c3c(C)nn4C)CCN12 1529133080 AHOZCEJKUFZYHQ-JKSUJKDBSA-N 371.485 1.910 0 50 FDAA C[C@H](CC(=O)N1CCCN(C(=O)c2cnc(O)[nH]2)CC1)N1CCCCC1 1529168813 MNASIMBKZRWHSW-CQSZACIVSA-N 363.462 1.054 0 50 FDAA COc1ccc([C@@H](C(=O)O)N2CCN(C3CCOCC3)CC2)cc1OC 1529168827 NAUPXVKGWNBFLW-SFHVURJKSA-N 364.442 1.626 0 50 FDAA O=C(Nc1ccccc1)N1C[C@@H]2OC(=O)N(CCCN3CCOCC3)[C@@H]2C1 213121057 IXZDZZGWXHESRH-SJORKVTESA-N 374.441 1.446 0 50 FDAA O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1cc(N2CCOCC2)no1 1772819463 UQBVLJBLUNGKJI-AWEZNQCLSA-N 374.416 1.907 0 50 FDAA Cc1nc(CN2C[C@@H]3CN(C(=O)c4cc(C5CC5)[nH]n4)C[C@]3(CO)C2)co1 1772712219 PIUYDVAZMIQCAG-KUHUBIRLSA-N 371.441 1.150 0 50 FDAA CCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3cc(F)ccc3C)CN2C1=O 14537976 SYYIXFHZKRRBNW-YDHLFZDLSA-N 362.405 1.524 0 50 FDAA COCCN1C[C@H](C(=O)NCC2(c3ccccc3)CCOCC2)CCC1=O 14950965 XJFXCPNOAUBCOB-QGZVFWFLSA-N 374.481 1.736 0 50 FDAA CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)NC[C@@H]3CCCO3)ccc21 15867554 RUNLRBRWTRGGES-AWEZNQCLSA-N 365.455 1.933 0 50 FDAA CCS(=O)(=O)N1C[C@H](C(=O)NCc2ccncc2)Oc2ccccc21 16648743 PINMHYVFZKNKQQ-MRXNPFEDSA-N 361.423 1.315 0 50 FDAA O=C(O[C@@H]1CS(=O)(=O)C[C@@H]1OC(=O)c1ccccc1)c1ccccc1 17887526 NZBKYQUZFSDQDZ-IYBDPMFKSA-N 360.387 1.866 0 50 FDAA COc1ccc(-n2ccnc2CN2C[C@@H]3CCOC[C@]3(C(=O)O)C2)cc1 1857669496 ZRMDLWAKPOCLHH-IFXJQAMLSA-N 357.410 1.804 0 50 FDAA COc1ccc(Cc2nc([C@@H](C)N)n(CC(=O)NC(C)C)n2)cc1OC 1857705449 IHARROGYEXNQSW-GFCCVEGCSA-N 361.446 1.430 0 50 FDAA Cc1c(C(=O)N2CCC([C@H](O)c3nccn3C)CC2)nc2ccccn12 1857707849 MLMTXVGZXIJCLV-KRWDZBQOSA-N 353.426 1.962 0 50 FDAA O=C(NCc1nc(-c2ccccc2)n[nH]1)[C@@H]1CC(=O)N(c2nccs2)C1 1857711588 IEJWAKYAXBBTTK-GFCCVEGCSA-N 368.422 1.598 0 50 FDAA CCOCc1nnc(N2C[C@H](C(=O)N3[C@@H](C)CC[C@H]3C)CC2=O)s1 1857722177 QJBOZARPSBMRSS-GRYCIOLGSA-N 352.460 1.827 0 50 FDAA O=C(O)C1(CNS(=O)(=O)c2ccc(F)c(Cl)c2)CCOCC1 317173304 OWJUWHIBYDKDCW-UHFFFAOYSA-N 351.783 1.639 0 50 FDAA C[C@H]1CN(C(=O)Cc2ccc(-n3cnnn3)cc2)CCN1CC(F)(F)F 124749941 OXLNVNOIAMPTFV-LBPRGKRZSA-N 368.363 1.300 0 50 FDAA O=C(O)CCN(Cc1cccc(Br)c1)C(=O)[C@@H]1COCCO1 263192002 MQFIQRHMQZNRSZ-ZDUSSCGKSA-N 372.215 1.668 0 50 FDAA Cc1noc([C@@H]2CC(=O)N(C3CN(Cc4n[nH]c5ccccc45)C3)C2)n1 864310345 HUQONHGDXQSUOY-GFCCVEGCSA-N 352.398 1.455 0 50 FDAA COC1(C(=O)N[C@@H]2CN(C)C[C@H]2c2cncn2C)CCC(F)(F)CC1 952885965 FIGCMUUNRIESLD-CHWSQXEVSA-N 356.417 1.528 0 50 FDAA Cc1cc(C(=O)N2CCc3c(O)ncnc3C2)cc(=NCC(F)(F)F)[nH]1 1875269774 OOFLZMQZOZXUKH-UHFFFAOYSA-N 367.331 1.480 0 50 FDAA CCN(C[C@@H](O)c1ccc(C)cc1)c1ncnc2c1ncn2C[C@H](O)CO 1875269061 BKWWGYNJJNSBBH-JKSUJKDBSA-N 371.441 1.048 0 50 FDAA C[C@H]1CO[C@H](C)CN1C(=O)c1cc(-c2ccco2)n2cnc(C(N)=O)c2n1 1875350686 XCDPLZQGWPHDGN-WDEREUQCSA-N 369.381 1.338 0 50 FDAA O=C(O)COCc1cn(-c2cc(Br)cc(C(=O)O)c2)nn1 1875359304 AERQFZBCTSPNIO-UHFFFAOYSA-N 356.132 1.329 0 50 FDAA CCC(C)(C)NC(=O)COc1ccc(Cc2c[nH]c(=N)[nH]c2=N)cc1OC 1875374808 FWTVNTNKEPFBIT-UHFFFAOYSA-N 373.457 1.585 0 50 FDAA C=CC(=O)NC[C@@H](NC(=O)C(F)(F)c1ccnn1C)C1CCCCC1 1875386810 YYOZFEODJWMPSE-CYBMUJFWSA-N 354.401 1.879 0 50 FDAA CCn1c(O)nnc1[C@@H]1[C@@H](C2CC2)CCN1C(=O)Cn1cccc(C)c1=O 1875401680 OOBBIYGPVKWSOC-ZBFHGGJFSA-N 371.441 1.474 0 50 FDAA CC(=O)N1C[C@H](NC(=O)c2ncncc2Cl)CC[C@@H]1C(F)(F)F 886027688 DRUXOICDOUWMEC-PSASIEDQSA-N 350.728 1.802 0 50 FDAA Cc1cccc(C(=O)N2CCN([C@@]3(C(N)=O)CCOC3)CC2)c1Cl 886096392 DNYLCQGFWPXMFX-KRWDZBQOSA-N 351.834 1.051 0 50 FDAA Cc1ccc(Cl)c(OCC(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)c1 888094809 CVNKQXVGEMGMTE-DZGCQCFKSA-N 351.790 1.713 0 50 FDAA COc1cc(C(=O)NN2C(=O)OC(C)(C)[C@]2(C)O)cc(OC)c1OC 6668679 CMLAXVVCMNPYAD-INIZCTEOSA-N 354.359 1.297 0 50 FDAA FC(F)(F)c1cnc(CN=c2ccc3nnc(C(F)(F)F)n3[nH]2)[nH]1 2325775482 VNCPNCJRSPQWJC-UHFFFAOYSA-N 351.214 1.919 0 50 FDAA CC(F)(F)Cn1cc2c(=NCCC(C)(C)S(C)(=O)=O)ncnc-2[nH]1 2325777336 XLYDPQGHGXCKAP-UHFFFAOYSA-N 361.418 1.480 0 50 FDAA O=C([C@H]1CSC(c2ccccc2O)=N1)N1CC[C@@]12CCS(=O)(=O)C2 2325782242 HEZGAFHSLFHWAM-WBMJQRKESA-N 366.464 1.044 0 50 FDAA CN1CC[C@H](C(=O)Nc2ccc(-c3nn[nH]n3)cc2)[C@H](c2cnn(C)c2)C1 849513654 DAEPUWZOAKJIGS-HOTGVXAUSA-N 366.429 1.274 0 50 FDAA O=C(c1cnn(CCN2CCCCC2)c1)N1C[C@]2(F)CCC[C@]2(CO)C1 2325792966 YRLTUAHGNYDTNV-RTBURBONSA-N 364.465 1.696 0 50 FDAA Cc1nc(O)c2cc(NC(=O)[C@](O)(CN(C)C)C(F)(F)F)ccc2n1 2325878938 BFRLWFNNRBZKIJ-CQSZACIVSA-N 358.320 1.437 0 50 FDAA COc1cccc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)c1OC(C)=O 859230 CQOIBSYRNKCRTI-AWEZNQCLSA-N 351.384 1.622 0 50 FDAA COC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(OC)c(OC)cc1OC 1208464 AYYVPDXJVSMPST-CQSZACIVSA-N 352.412 1.678 0 50 FDAA O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCC[C@]12CCCN(CCO)C2=O 2356160254 KGTRELXHJBMXMI-IBGZPJMESA-N 369.425 1.061 0 50 FDAA COCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)s1 4502965 UFVIVPSJPZVFPC-SNVBAGLBSA-N 362.411 1.685 0 50 FDAA O=C(O)[C@@H](c1ccc2c(c1)OCCO2)N1CCCN(c2ncccn2)CC1 108041619 GEMNZYSNHBKVNS-QGZVFWFLSA-N 370.409 1.586 0 50 FDAA CN(Cc1ccccc1)c1ncccc1CNC(=O)CN1CCCC1=O 20232816 SRZCORNNWQPDEE-UHFFFAOYSA-N 352.438 1.957 0 50 FDAA CN1CCC(N2CCN(Cc3cc(F)cc(F)c3)C[C@@H]2CCO)CC1 20599371 CCRXLJCDMDEGBQ-IBGZPJMESA-N 353.457 1.928 0 50 FDAA CCCN1CCN(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 20595127 GZCYXUHSRJSGEL-UHFFFAOYSA-N 371.485 1.451 0 50 FDAA NC1(C(=O)N2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)CC1 67805901 JLXBTXYQHFONSH-UHFFFAOYSA-N 363.465 1.772 0 50 FDAA Cc1cccc(CNC(=O)c2cn(C[C@H]3COc4ccccc4O3)nn2)n1 11665283 TVYHNWTVBYIDRH-HNNXBMFYSA-N 365.393 1.752 0 50 FDAA Cc1cc(C)cc(N2CCN(C(=O)c3cnc(N(C)C)nc3C)CC2=O)c1 77392808 UCTVIQONFHOXFO-UHFFFAOYSA-N 367.453 1.957 0 50 FDAA CC1(C)S[C@@H]2[C@@H](NC(=O)c3c(F)cccc3F)C(=O)N2[C@H]1C(=O)O 2786042 NPJMCPOOMPMAMR-OUJBWJOFSA-N 356.350 1.210 0 50 FDAA COc1ccc(OC[C@@H]2CCCN(C(=O)CCn3nnnc3C)C2)cc1 77426023 DBCIKIUBSNSOKM-OAHLLOKOSA-N 359.430 1.698 0 50 FDAA Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)CCc2ccoc2)no1 328643586 RLUFQXFJFHXXOH-GJZGRUSLSA-N 350.394 1.975 0 50 FDAA Cc1nn(C)c(C)c1[C@H]1[C@H](NC[C@H](O)c2ccc(F)cc2)CC(=O)N1C 328629992 PIXGMOOXYQGNNT-JTDSTZFVSA-N 360.433 1.771 0 50 FDAA CC(=O)NC[C@H]1CN(c2ccc(N3CCSCC3)c(F)c2)C(=O)O1 3810825 FNDDDNOJWPQCBZ-ZDUSSCGKSA-N 353.419 1.840 0 50 FDAA biogenic,investigational Cn1ccnc1CN1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 71712218 NVJOQPXZWZVSLG-UHFFFAOYSA-N 352.442 1.733 0 50 FDAA CN1C(=O)[C@](CC(=O)NC(CO)CO)(Cc2ccccc2)c2ccccc21 71681342 ZXENYHSRUNKHNG-NRFANRHFSA-N 368.433 1.003 0 50 FDAA O=C(O)[C@H]1CC2(CCN(C(=O)C3CC3)CC2)CN1C(=O)c1cscn1 72407383 VUEFFMDPVOQZGX-CYBMUJFWSA-N 363.439 1.461 0 50 FDAA O=C(c1cn2c(n1)CNCC2)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 72121008 OILSOHYOHILCHH-UHFFFAOYSA-N 369.513 1.713 0 50 FDAA CN1CCc2n[nH]c(C(=O)N(C)Cc3nc(-c4ccccc4)no3)c2C1 72420964 JHTKFHVHKDEWFH-UHFFFAOYSA-N 352.398 1.720 0 50 FDAA Cc1cccc(OCCNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)c1 72115568 DMFGXZGQHNBXIT-UHFFFAOYSA-N 369.487 1.008 0 50 FDAA Cn1nccc1[C@H]1[C@H](C(=O)NCCCn2ccnc2)CCC(=O)N1C1CC1 368349134 QBFJTOYBADVQLN-CRAIPNDOSA-N 370.457 1.265 0 50 FDAA Cc1cnn(C2(C(=O)O)CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1 72458866 OSQDUQBMOJRSSU-UHFFFAOYSA-N 357.366 1.636 0 50 FDAA NC(=O)CCNC(=O)c1cccc(NC(=O)C2C[C@@H]3CCC[C@H](C2)C3N)c1 262288497 YDLQPAJUKCNWAR-GYABFAJESA-N 372.469 1.384 0 50 FDAA Cc1nonc1C(=O)N1CCC[C@H](c2nnc(CN3CCCC3)n2C)C1 72470750 PZYISRHTXWWZOV-ZDUSSCGKSA-N 359.434 1.122 0 50 FDAA CNCCN1C(=O)CC[C@H]2CN(Cc3cc4c(cc3C)OCO4)CC[C@H]21 72436477 XZPCUKARKSLZBG-DOTOQJQBSA-N 359.470 1.756 0 50 FDAA Cn1ccnc1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)COCc1ccccc1 82137393 ZHMYOEVNFVOTNK-HOTGVXAUSA-N 374.416 1.306 0 50 FDAA CN(Cc1ccccn1)[C@H]1CCCN(C(=O)COCc2ccnn2C)CC1 286746361 JJCLHZDRAVOLPJ-SFHVURJKSA-N 371.485 1.845 0 50 FDAA Cc1ccccc1CN1CCC(NC(=O)[C@@H](C)CS(C)(=O)=O)CC1 176580502 DUTXEQKOWYMXLY-HNNXBMFYSA-N 352.500 1.756 0 50 FDAA CC(C)=CCN1CC2(CCN(C(=O)Cn3ccccc3=O)CC2)CC1=O 91770025 PFWFXTHDGDCQPH-UHFFFAOYSA-N 357.454 1.656 0 50 FDAA COCCn1ccnc1C1CCN(C(=O)c2ccc(OC)nc2OC)CC1 95531519 PCUOFMGRWZTRKB-UHFFFAOYSA-N 374.441 1.962 0 50 FDAA Cc1cccc(=O)n1CCC(=O)N[C@H]1CCCN(Cc2cccnc2)C1 426594836 LEOYROAKNXAWFK-SFHVURJKSA-N 354.454 1.723 0 50 FDAA Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](c2ccc(C(=O)O)cc2)C1 95360033 BGBCSWVKHQSSKE-OAHLLOKOSA-N 363.439 1.995 0 50 FDAA O=C(NC[C@@H]1CC(=O)N(c2ccccc2)C1)c1cnc(C2CC2)nc1O 426503888 AVCMVWAVTWJGQM-LBPRGKRZSA-N 352.394 1.843 0 50 FDAA CCC[C@@]1(CO)CCN(C(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)C1 292948920 GZPKPFINZVAKCJ-QGZVFWFLSA-N 354.472 1.576 0 50 FDAA CC(=O)N1CC2(CCN(C(=O)c3sccc3C)CC2)C[C@@H]1C(=O)O 91656495 YRFWBFAGPNUVAR-CYBMUJFWSA-N 350.440 1.984 0 50 FDAA CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(Cc1cccc(Cl)c1F)C2 91818522 DZQUBIGBGCFLEF-UONOGXRCSA-N 367.852 1.990 0 50 FDAA CSCCC(=O)N1CCC2(CCN(Cc3c[nH]cn3)CC2)[C@@H](CO)C1 97784869 POMGQMGKJKZSAA-OAHLLOKOSA-N 366.531 1.586 0 50 FDAA O=C1C[C@H](C(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)c2ccc(F)cc2N1 97743064 UWQJCLAFYCHMIA-AWEZNQCLSA-N 370.384 1.741 0 50 FDAA CN[C@@H](C)C(=O)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 91896413 BKNBKQPRLSBOLX-INIZCTEOSA-N 358.486 1.463 0 50 FDAA COc1ccc(OC)c([C@@H](C(=O)O)N2CCN(c3cnccn3)CC2)c1 95377305 AVMMWQUJUVSRDX-KRWDZBQOSA-N 358.398 1.442 0 50 FDAA CCOc1ccc(Cl)cc1CN(C)C(=O)[C@H]1CCC(=O)NC(=O)N1 97370342 BAYKCWGJLPTOTE-GFCCVEGCSA-N 353.806 1.685 0 50 FDAA COCCNC(=O)c1ccc(OC2CCN(CC(=O)O)CC2)c(Cl)c1 95506650 CRKHTASXHGMDDC-UHFFFAOYSA-N 370.833 1.644 0 50 FDAA O=C(N[C@@H]1CCCc2nc(-c3cccnc3)ncc21)c1c[nH]c(=O)cc1O 91441434 PAMCHFWRPQZNNH-OAHLLOKOSA-N 363.377 1.740 0 50 FDAA CCCc1n[nH]c2c1CN(S(=O)(=O)c1ccc3c(c1)OCCO3)CC2 23214124 KRKDRNMEFOJZLX-UHFFFAOYSA-N 363.439 1.880 0 50 FDAA CCCS(=O)(=O)N[C@H]1CN(CCCn2ccnc2C)C[C@@H]1C1CC1 91872834 CBMZXYNMCDWYPC-SJORKVTESA-N 354.520 1.621 0 50 FDAA Cc1nccn1CCC(=O)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)O)C1 96149465 MUOJGSCZDMCEDE-DNVCBOLYSA-N 355.394 1.671 0 50 FDAA O=S(=O)(N[C@H]1CCCC[C@@H]1O)c1ccc(OCC(F)(F)F)nc1 182926345 AMJBPFPKHGBEKK-QWRGUYRKSA-N 354.350 1.605 0 50 FDAA CCn1c(CN2CCC(c3ccnc(N)n3)CC2)nnc1[C@H]1C[C@@H](N)C1 252571775 YNPISPADIIRTTQ-OKILXGFUSA-N 356.478 1.255 0 50 FDAA COc1ccccc1N1CC[C@@H](NC(=O)c2cnccc2N(C)C)C1=O 183889975 SSSGEGNQVGOROC-CQSZACIVSA-N 354.410 1.692 0 50 FDAA COCCOc1cccc(CNC(=O)N2CCC3(CC2)CNC(=O)C3)c1 465542011 LYGSJTGWBBUOAI-UHFFFAOYSA-N 361.442 1.524 0 50 FDAA Cn1ncc2c1C[C@H](C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1)CC2 281961757 SXSRQQHXSCSILE-CRAIPNDOSA-N 352.438 1.615 0 50 FDAA COc1ccc([C@H]2CN(C(=O)CCn3c(C)cccc3=O)C[C@@H]2N)cc1 91351026 DQZBAQKFNWFMME-MSOLQXFVSA-N 355.438 1.509 0 50 FDAA COc1ccc(OCCCN)c(C(=O)N2CCN(c3cccnc3)CC2)c1 299793373 HKUOXOKDMAZFQO-UHFFFAOYSA-N 370.453 1.780 0 50 FDAA COc1ccccc1Cc1nc([C@H]2CC(=O)N(C)C2(C)C)n(CCO)n1 828776903 LCVOWFRHEVJZJK-CQSZACIVSA-N 358.442 1.594 0 50 FDAA O=C(c1ccnc(N[C@H]2C[C@@H](c3cc(O)ncn3)C2)c1)N1CCOCC1 828194134 ZBEGTOPTEZFSQG-OKILXGFUSA-N 355.398 1.408 0 50 FDAA Cn1c(N2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)nc2cnccc21 1338192007 POHQIYSGKPBGON-IINYFYTJSA-N 374.388 1.914 0 50 FDAA Cn1ncc2cc(-c3cccc(C(=O)N[C@H]4CCNC[C@@H]4O)c3)ccc21 1565512268 ISWKHCAKYWRJMZ-HKUYNNGSSA-N 350.422 1.693 0 50 FDAA Nc1nccc(C2CCN(C(=O)CN3CCOc4ccccc4C3)CC2)n1 952972928 AWPFDZOVNXRMIA-UHFFFAOYSA-N 367.453 1.659 0 50 FDAA CCCCn1nc(C)c(/C=C/C(=O)N2CCOC[C@H]2C(=O)O)c1Cl 268974467 IYZZSHUBKNUUDH-GFUIURDCSA-N 355.822 1.970 0 50 FDAA COc1cccc(Cl)c1CC(=O)N1C[C@H](O)C[C@@H]1c1nc(C)no1 275455158 TUOZWNIJPBQGGP-ZWNOBZJWSA-N 351.790 1.917 0 50 FDAA Cc1c(C(=O)NCc2nc3cc(F)ccc3[nH]2)nnn1C1CCNCC1 168732191 OTXHUCBAXQFLHE-UHFFFAOYSA-N 357.393 1.456 0 50 FDAA CNC(=O)c1ccc(N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)nn1 277512362 BQTQAZJVRWATSU-SECBINFHSA-N 354.336 1.962 0 50 FDAA COc1cccc2c1CCN(C(=O)CCc1nc(-c3nnc[nH]3)no1)CC2 192600686 CWLXDWCSXFEKIV-UHFFFAOYSA-N 368.397 1.423 0 50 FDAA CN(Cc1nnn(C[C@H](O)c2ccc(F)cc2F)n1)C(=O)c1ccccc1 193425739 WELSFKXJOZOESN-INIZCTEOSA-N 373.363 1.957 0 50 FDAA C[C@H](C(=O)NC1CCN(CCN(C)C)CC1)c1nnc(O)c2ccccc12 1506416065 HAEDQPKZVNICEQ-AWEZNQCLSA-N 371.485 1.581 0 50 FDAA COc1cc2nc(NCCSc3n[nH]c(C)n3)nc(N)c2cc1OC 1529119155 CBOXLZFQGFWIRL-UHFFFAOYSA-N 361.431 1.860 0 50 FDAA CN1CCC(C)(C(=O)N2CCCN(C(=O)c3n[nH]cc3Cl)CC2)CC1 1529119458 HVHKZKLSNFTNNA-UHFFFAOYSA-N 367.881 1.470 0 50 FDAA Cn1cccc1C(=O)N1CCC[C@@]2(CO)CN(c3ncccn3)CC[C@H]12 215594806 ILQSKFHXQVDOFD-LPHOPBHVSA-N 355.442 1.309 0 50 FDAA CCc1ccc(CN2C[C@@H]3CN(C(=O)C4CC=CC4)C[C@]3(CO)C2)nc1 1772813494 DGELNLJSGULGCX-NQIIRXRSSA-N 355.482 1.863 0 50 FDAA O=C(NC[C@@H]1COCCO1)c1cc(COc2c(F)cccc2F)on1 12299603 ZDPSGRFYABPQJA-LLVKDONJSA-N 354.309 1.677 0 50 FDAA CCOC(=O)N1CCN(C(=O)CNC(=O)c2cc3ccccc3[nH]2)CC1 13728378 UGODLXNSYTXUEC-UHFFFAOYSA-N 358.398 1.198 0 50 FDAA CC(C)c1ccc(CN[C@H]2C[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N3C2)cc1 14537625 UXBUXBWQWHLPIM-FHWLQOOXSA-N 372.513 1.497 0 50 FDAA CCN1CCN(CC(=O)N2CCC[C@H](N(C)CCc3ccccn3)C2)CC1 19839691 SPKVLVJMGDMDQB-FQEVSTJZSA-N 373.545 1.184 0 50 FDAA O=C1N[C@H](CC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)C(=O)Nc2ccccc21 206238440 SDMWCRRCKPGDGU-OWDMVUQNSA-N 371.437 1.281 0 50 FDAA CC(C)c1nnc(N2C[C@@H](C(=O)NCCc3cscn3)CC2=O)s1 1857669169 XKPADBUTBFPFNU-JTQLQIEISA-N 365.484 1.830 0 50 FDAA O=C(c1ccc(Cn2cnnn2)cc1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1C2 1857697916 QWHVITJHVNBMDP-QRQLOZEOSA-N 366.469 1.668 0 50 FDAA O=C(C[C@@H]1CCCN(c2nc3ncccc3o2)C1)NCCCc1nn[nH]n1 1857701295 OKOHRIPPIGJVMO-LBPRGKRZSA-N 370.417 1.091 0 50 FDAA CCS(=O)(=O)NC[C@H]1[C@H]2CN(c3ncc(Cl)cn3)C[C@]23CC[C@H]1O3 1857711723 DQDJTXOXJFOZJB-KYEXWDHISA-N 372.878 1.053 0 50 FDAA CCc1ccc(S(=O)(=O)N2CCN3[C@@H](C4CC4)COC[C@H]3C2)s1 1857728012 JKYVRFMPGBYCLK-UKRRQHHQSA-N 356.513 1.794 0 50 FDAA O=C(CCn1cncn1)N1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2 219890939 DHVPLOFXDBNQJC-APWZRJJASA-N 365.481 1.758 0 50 FDAA CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)Cc1cccc(C(F)(F)F)c1 617872869 RMDZDKWUMQWNPM-RYUDHWBXSA-N 351.346 1.176 0 50 FDAA COC[C@H](C)S(=O)(=O)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328633373 SOMNANLCANFLPZ-UWVGGRQHSA-N 355.382 1.419 0 50 FDAA O=C([C@H]1CCc2nncn2C1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 329114979 SNIPTSOMXHCGJQ-GHTZIAJQSA-N 365.481 1.965 0 50 FDAA CN1CCO[C@H]2CN(C(=O)c3c[nH]nc3-c3ccc(Cl)s3)C[C@H]21 330304687 KNHOZBXTIOTANB-MNOVXSKESA-N 352.847 1.947 0 50 FDAA Cc1nn(C)cc1Cn1nc(C)c(S(=O)(=O)N2CCCCC2)c1C 333472826 DODXYLYFDDCULM-UHFFFAOYSA-N 351.476 1.765 0 50 FDAA Cc1nccc(N[C@@H]2COCC[C@@H]2NC(=O)c2ncc3ccccn23)n1 952887823 JXDUIWCOTCQUQX-LSDHHAIUSA-N 352.398 1.432 0 50 FDAA COc1cc(F)c(C(=O)NC[C@H](C(=O)O)C2CCOCC2)cc1OC 952849723 PDKAMKJANIWSJS-LBPRGKRZSA-N 355.362 1.700 0 50 FDAA Cc1cc(C)n2nc(CC(=O)N3CCC(c4c[nH]nc4C)CC3)nc2n1 952845558 VWOFGGDCLUBULX-UHFFFAOYSA-N 353.430 1.721 0 50 FDAA COCc1cc(N2CCN(c3cccc(C)n3)C[C@@H]2C)n2ncnc2n1 1875258658 RLBKQJBLIZBGQB-AWEZNQCLSA-N 353.430 1.689 0 50 FDAA O=C(O)CN(Cc1cn(Cc2cccs2)nn1)C(=O)c1cncs1 1875324582 DUMRNRZHUIZROZ-UHFFFAOYSA-N 363.424 1.571 0 50 FDAA C=CC(=O)Nc1ccc(C(=O)N2C[C@H](C(=O)OC)C3(CCOCC3)C2)cc1 1875369137 SCYQTPKJKSKOAE-MRXNPFEDSA-N 372.421 1.853 0 50 FDAA Cc1nccc(C(=O)N[C@@H]2[C@@H]3CCCCN(C(=O)C[C@@H]4CCCO4)[C@@H]32)n1 1875345609 CYXSIPPHROQMIN-ZZCKCESHSA-N 358.442 1.463 0 50 FDAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N1CCN(c2ncccc2F)CC1 1875314905 ZIOFKDIONRDBNF-OLZOCXBDSA-N 373.432 1.939 0 50 FDAA COCCn1nc(C(=O)N2CCn3c(cnc3C)C2)c2c1[C@H](C)O[C@H](C)C2 1875404109 VFBLHWGDSGPTGH-OLZOCXBDSA-N 373.457 1.713 0 50 FDAA Cc1nnc(N2CCc3ccccc3[C@H](NC(=O)C34CC(CO3)C4)C2)o1 1875405099 QPZUQCSKEUJYEC-ZHTDJMBKSA-N 354.410 1.777 0 50 FDAA O=C([C@H]1COc2ccccc2O1)N1CC(OCc2nc(C3CC3)no2)C1 886096926 OQKQFNWKLLDCSV-OAHLLOKOSA-N 357.366 1.514 0 50 FDAA O[C@@]1(Cn2cnc3c(N4CCC[C@H](OCC5CC5)C4)ncnc32)CCOC1 888097585 KDPFFMUASAYNBX-HNAYVOBHSA-N 373.457 1.373 0 50 FDAA COC(=O)[C@](C)(Cn1cccn1)NC(=O)Cc1cn2c(C)csc2n1 890939854 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350.426 1.834 0 50 FDAA Cc1cccc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2cccs2)n1 11665326 IKHYDVIXYWLURJ-KRWDZBQOSA-N 372.494 1.501 0 50 FDAA CN1CCN(C)C2(CCN(C(=O)[C@@]34CC[C@@](C)(OC3=O)C4(C)C)CC2)C1 67934183 KNFHMWLSSRITEA-QUCCMNQESA-N 363.502 1.347 0 50 FDAA CN(CCn1ccnc1)c1nc2nonc2nc1NCc1ccccc1 67920427 SIFRGXKLXUNLNC-UHFFFAOYSA-N 350.386 1.958 0 50 FDAA O=C(O)c1cn(C[C@@H]2CCCN(c3nc(-c4ccccc4)no3)C2)nn1 67803165 YOAKJOUSOHHGIF-GFCCVEGCSA-N 354.370 1.943 0 50 FDAA O=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1nc2ncccn2n1 219689968 ROWSDQFGRICNTP-CABCVRRESA-N 353.382 1.228 0 50 FDAA NC(=O)c1ccc(CN2CCC(c3nc4ccccc4o3)CC2)[nH]c1=O 77406557 GEHFBTODUGVJTJ-UHFFFAOYSA-N 352.394 1.995 0 50 FDAA O=C([C@H](O)C1CCCCC1)N1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1 71764495 KBCWEVRQWTWRRA-QGZVFWFLSA-N 368.437 1.658 0 50 FDAA CCC(CC)N1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)CCn2cccn2)[C@@H]3C1=O 77440036 CACJQYURAVOFLH-LJCCNALRSA-N 372.469 1.312 0 50 FDAA CC(C)CNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1 72129652 NWVKPKMJMWXMKU-HNNXBMFYSA-N 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Cn1cc(C(=O)N[C@]2(C)CCN(C(=O)[C@@]3(C)CC(C4CC4)=NO3)C2)cn1 1875408152 PMIXHWIXWIUTMP-QZTJIDSGSA-N 359.430 1.086 0 50 FDAA COc1ccccc1C(=O)N[C@@H]1CCCC[C@@H]1Cc1nn(C)c(=O)n1C 888099090 RKXLHMQFWWYKLS-UKRRQHHQSA-N 358.442 1.659 0 50 FDAA CC1(C2CC2)CCN(C(=O)NCCCN2CCS(=O)(=O)CC2)CC1 2325736600 JGYGVQRBAXDSLJ-UHFFFAOYSA-N 357.520 1.329 0 50 FDAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1cccc(-n2cccn2)c1 2325785671 IJISECQSRNKKFC-BMGDILEWSA-N 351.410 1.638 0 50 FDAA NC(=O)C[C@@H](NC(=O)[C@@H](N)CCc1ccncc1)c1ccccc1Cl 2325851690 GQXPSFGNGLEOPL-JKSUJKDBSA-N 360.845 1.728 0 50 FDAA COC1(C(=O)N[C@@H]2CCN(C(=O)[C@H](C)c3ccccc3)C[C@H](O)C2)CC1 2325871574 QPOFWEHNTLVVAX-DJIMGWMZSA-N 360.454 1.437 0 50 FDAA CC(=O)NS(=O)(=O)c1ccc(NC(=N)Nc2nc(C)cc(C)n2)cc1 852668 OECJEOMPNBCNTP-UHFFFAOYSA-N 362.415 1.377 0 50 FDAA CN1C(=O)[C@@](O)([C@H]2COC(C)(C)CC2=O)c2cc(Br)ccc21 1057576 YBDROSYZDYYNLQ-ZBEGNZNMSA-N 368.227 1.997 0 50 FDAA Cc1nnc(CNC(=O)c2cc3c(s2)C2(CCNCC2)OCC3)s1 2356133761 BUMZAICRWKKBCU-UHFFFAOYSA-N 364.496 1.989 0 50 FDAA COCCc1noc(CN(C)C(=O)CC(=O)Nc2cc(C)cc(C)c2)n1 55197910 VPTDGWAPAKDUSW-UHFFFAOYSA-N 360.414 1.863 0 50 FDAA Cc1ccccc1OC[C@H](C)NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 56324448 UGXVOIVNFKIISJ-LSDHHAIUSA-N 354.472 1.550 0 50 FDAA CCc1cccc(NC(=O)CCC(=O)N2Cc3nc[nH]c3C[C@H]2C(=O)O)c1 55309294 CUYLHEPTHKFBCE-INIZCTEOSA-N 370.409 1.729 0 50 FDAA C[C@@H](Nc1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1)C(N)=O 67473074 YMWSYECZMRSGTI-CYBMUJFWSA-N 369.425 1.446 0 50 FDAA COc1cccc(S(=O)(=O)NCCNc2cc(N(C)C)nc(C)n2)c1 65362742 VSNKBCBMMDADTA-UHFFFAOYSA-N 365.459 1.250 0 50 FDAA COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cnc2c(-c3ccccc3)cnn2c1 67787190 OXVUFPDMVRGOGB-WBVHZDCISA-N 352.394 1.505 0 50 FDAA COC(=O)CN1CCN(Cc2nc(-c3ccccc3C)oc2C)CC1=O 67713633 YYAZATZUIZGLRL-UHFFFAOYSA-N 357.410 1.776 0 50 FDAA CCn1c(C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)n[nH]c1=O 65398407 ZTBBKTVGDTVROO-UHFFFAOYSA-N 364.471 1.776 0 50 FDAA CCCn1nccc1C(=O)NCc1cccnc1N1CCN(C(C)=O)CC1 67722965 CENCQJWMHNRWLO-UHFFFAOYSA-N 370.457 1.287 0 50 FDAA CN1CCC2(CC1)CN(C(=O)[C@H](O)c1ccc(Cl)cc1)CCN2C 67893965 QLIIJYXZKBGDKH-MRXNPFEDSA-N 351.878 1.612 0 50 FDAA CN(C(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(Cc2ccccc2)C1 329951538 MLRODWMSGXXSIA-DLBZAZTESA-N 350.484 1.544 0 50 FDAA COc1ccccc1CCCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 65365306 OPFQCQQQRLUSCN-HNNXBMFYSA-N 354.472 1.416 0 50 FDAA C[C@@H](NC(=O)c1ccc(OCC(F)(F)F)nn1)c1nnnn1C1CC1 252498955 RRTZBSUMBAKSJL-SSDOTTSWSA-N 357.296 1.230 0 50 FDAA O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 1532343 SKVLYVHULOWXTD-UHFFFAOYSA-N 355.397 1.747 0 50 FDAA biogenic,in-man COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(Br)s1 4842138 WJLWCAPISCYPDZ-VIFPVBQESA-N 356.205 1.959 0 50 FDAA CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)C[C@H]1CCS(=O)(=O)C1 77319137 LXXOOXPGINSQDT-CYBMUJFWSA-N 365.430 1.795 0 50 FDAA COc1ccccc1N1CCN(C(=O)c2cnc3c(c2)nnn3C)[C@H](C)C1 72477392 HCLPTYLXDUYDCT-CYBMUJFWSA-N 366.425 1.723 0 50 FDAA Cc1nccc(N2CCC[C@@H](c3nnc(CN4CCC(O)CC4)n3C)C2)n1 72410582 FMSVNLBBYIREOE-OAHLLOKOSA-N 371.489 1.254 0 50 FDAA CCN(CC(=O)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1)C1CC1 328629384 OUPJESQAEQIYQO-QGZVFWFLSA-N 359.474 1.461 0 50 FDAA CCCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)c(C)c1C 72135164 HYAFZNOAQMYWAX-QGZVFWFLSA-N 361.486 1.919 0 50 FDAA O=C(N[C@H]1CCc2nccn2C1)c1ccc(Cl)c(N2CCNC2=O)c1 364654552 OFKYQKSFJIWNDA-LBPRGKRZSA-N 359.817 1.811 0 50 FDAA CNS(=O)(=O)c1ccc2c(c1)N(C[C@@H](O)COCc1ccco1)CC2 126339840 OEKWIWVYPCPCQI-CQSZACIVSA-N 366.439 1.128 0 50 FDAA O=C(c1ncn[nH]1)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1 216481583 DJCGAGSQYNJYHX-UHFFFAOYSA-N 354.439 1.886 0 50 FDAA O=C(c1cc(-c2ccncc2)n[nH]1)N1CCC(N2CCC[C@H](O)C2)CC1 72170442 JXXPAEORGRPXMV-INIZCTEOSA-N 355.442 1.533 0 50 FDAA C[C@H]1CN(CC(=O)Nc2ccc(N3CCCCC3)nc2)CC[S@@]1=O 332017412 FBHUXKHTXFPRNS-BSEYFRJRSA-N 350.488 1.463 0 50 FDAA COC[C@@H](C)n1c(CCCC(=O)N2CCC(O)CC2)nc2cccnc21 77419277 QHBBQJHNEWRSQG-CQSZACIVSA-N 360.458 1.945 0 50 FDAA CNC(=O)CCN1CCC[C@@]2(CCC(=O)N(CCc3ccccn3)C2)C1 77518728 QREAZDHFZYZFCP-HXUWFJFHSA-N 358.486 1.465 0 50 FDAA CO[C@@H]1COC[C@H]1n1cc(CNC(=O)N2C[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2)nn1 333484659 HVRKRHCXBVIXOB-ZRQSSWRGSA-N 373.457 1.218 0 50 FDAA Cc1ccccc1C(=O)NC[C@@H]1CCN(C(=O)Cc2ccccn2)C[C@H]1O 72419544 JRBOVIZNIZICSK-QFBILLFUSA-N 367.449 1.572 0 50 FDAA O=C(NC1CCC1)[C@@H]1CN(S(=O)(=O)c2c(F)cccc2F)CCO1 72457637 DDFWGIYUFWHROX-ZDUSSCGKSA-N 360.382 1.023 0 50 FDAA Cc1cc(F)ccc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C1CCC1 333874632 CIQVFPXLJKMCCP-AWEZNQCLSA-N 361.460 1.722 0 50 FDAA CN(C)C(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 71755248 HOIQOKKTCALCRY-QGZVFWFLSA-N 373.501 1.556 0 50 FDAA COc1ccc(C(=O)CCC(=O)N2CCN(c3ncc[nH]c3=O)CC2)cc1 215168878 CDVLKNUOPLGCPP-UHFFFAOYSA-N 370.409 1.090 0 50 FDAA CN(C)Cc1nnc([C@@H]2CCCN(C(=O)CN3CCCCCC3)C2)n1C 72420306 BORIWQNECFBOHF-MRXNPFEDSA-N 362.522 1.459 0 50 FDAA C[C@H]1CN(CCC(=O)N2CCc3nc(-c4cccnc4)[nH]c3C2)C[C@@H](C)O1 215312860 SLOWHEOMYNIHOW-GASCZTMLSA-N 369.469 1.856 0 50 FDAA O=C(O)C[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1 238154845 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ZHZCBMOHIFPLTQ-HXUWFJFHSA-N 365.389 1.259 0 50 FDAA OCCc1cn(C2CCN(c3nn4cnnc4c4ccccc34)CC2)nn1 48501680 ARDIOIHQGFVKIN-UHFFFAOYSA-N 364.413 1.245 0 50 FDAA O=C(Cc1ccccc1F)NC1CCN(C2CCS(=O)(=O)CC2)CC1 223908291 RWNNRWVEPUDXLA-UHFFFAOYSA-N 368.474 1.526 0 50 FDAA COc1cc(-c2ccc(C(=O)N[C@@H](C)c3ncnn3C)cc2)nc(OC)n1 426575131 PDVRWCGPGQHCHU-NSHDSACASA-N 368.397 1.780 0 50 FDAA Cc1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccccn2)c(=O)n(C)c1C 222916965 ADNQBDGMYIPOMK-HZPDHXFCSA-N 357.410 1.363 0 50 FDAA CS(=O)(=O)NCCC(=O)N1CCC[C@H](C(=O)c2cccc(Cl)c2)C1 426517578 LUHURFYUYAWGBG-ZDUSSCGKSA-N 372.874 1.701 0 50 FDAA NCc1nnc(SC[C@@H]2CCCS(=O)(=O)C2)n1-c1ccc(F)cc1 426715908 LOODZUFVSBMHNF-NSHDSACASA-N 370.475 1.782 0 50 FDAA Cn1c(SCC(=O)N2CCOc3ccccc32)nnc1C1CCNCC1 426492742 DTUOQTDSTCNHFG-UHFFFAOYSA-N 373.482 1.800 0 50 FDAA OCCn1ccc([C@@H]2CCCN(Cc3cnc(N4CCCC4)nc3)C2)n1 426488355 NTOFGXIQPJKXKK-QGZVFWFLSA-N 356.474 1.645 0 50 FDAA Cc1noc(C)c1CN1CC[C@@H](NC(=O)c2cc(C3CC3)no2)[C@H](O)C1 426487665 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CN(C)c1ccc(CN2CCn3nc(CNc4ncccn4)cc3C2)cn1 299755823 FLAIBAXCRGZTJQ-UHFFFAOYSA-N 364.457 1.762 0 50 FDAA CNC(=O)c1ccc(OC)c(NC(=O)NCCS(=O)(=O)CC(C)C)c1 299754859 AGQHHNRWXKRLKU-UHFFFAOYSA-N 371.459 1.247 0 50 FDAA O=C(N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N1CCCC1)c1cnc(-c2ccncc2)nc1 1565529061 IPAOYELWROHBKA-MHORFTMASA-N 365.437 1.520 0 50 FDAA Cc1ccn(CC(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(C(=O)O)cc2)n1 1565530249 VFQBKEKUWGXGGM-HOTGVXAUSA-N 359.382 1.242 0 50 FDAA COc1ccc2c(c1)OC[C@@]1(C(=O)O)CN(c3cc(C)nc(N)n3)C[C@@H]21 1565515202 UDEMUAGVSZWUKA-UGSOOPFHSA-N 356.382 1.443 0 50 FDAA CN1CCN(c2ccc(NC(=O)c3cn(C)nc3[C@H]3CCOC3)nc2)CC1 275413748 CVWKSEUHLMGESS-AWEZNQCLSA-N 370.457 1.323 0 50 FDAA CN1CCN(C(=O)CC2CCN(C(=O)c3cc(C4CC4)on3)CC2)CC1 170999790 OFRZZGPOKLNPKY-UHFFFAOYSA-N 360.458 1.568 0 50 FDAA CCn1cc(S(=O)(=O)N2CCCN(c3nc(C)ns3)CC2)nc1C 408057964 CJUNQPSONXQDNQ-UHFFFAOYSA-N 370.504 1.272 0 50 FDAA CCN1CCN(Cc2ccccc2CNC(=O)N2CC[C@H](C)[C@@H]2CO)CC1 190268356 FERVUYMSPNXXLK-PXNSSMCTSA-N 374.529 1.736 0 50 FDAA Cc1cc(C[C@@H]2CN(C(=O)c3cc(-c4cccn4C)[nH]n3)C[C@H]2O)n[nH]1 1529134129 WWOHFTVGDJEFHH-SJKOYZFVSA-N 354.414 1.122 0 50 FDAA O=C(N[C@@H]1CCCNC1)c1c(N2CCOCC2)noc1-c1ccccc1 1704340259 RRXTYCKFMZOWFY-OAHLLOKOSA-N 356.426 1.660 0 50 FDAA CC(C)c1ccc(CC(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1 1704301102 JQODERPRNFQNAN-DLBZAZTESA-N 368.499 1.375 0 50 FDAA NC[C@H]1CCN(C(=O)c2c(N3CCOCC3)noc2-c2ccccc2)C1 1704352985 IBGZSKJZDXCIFP-CQSZACIVSA-N 356.426 1.599 0 50 FDAA CCOC(=O)N1CC[C@@H](N2CCCN(C(=O)c3cncc(C)c3)CC2)C1 1775977787 MIXQJRIATBPLAA-QGZVFWFLSA-N 360.458 1.769 0 50 FDAA Cc1ccc(CN2CCC[C@@H](n3cc(C(=O)N(C)CCO)nn3)C2)c(C)c1 12078797 QFZBUYBJJHNCTC-GOSISDBHSA-N 371.485 1.796 0 50 FDAA Cn1nc(C(=O)N2CCc3onc(-c4ccccc4F)c3C2)ccc1=O 12209245 MZACAGKNNGESTD-UHFFFAOYSA-N 354.341 1.773 0 50 FDAA COC1CCN(C[C@@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)CC1 12467427 BADJXQQMSNAEFC-IBGZPJMESA-N 350.434 1.790 0 50 FDAA CS(=O)(=O)N1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 12596616 LPPUYHJFZCSPCE-INIZCTEOSA-N 358.410 1.739 0 50 FDAA CCNC(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](NCCOC)CC2 14751971 YKLBNMQMRAAHMF-INIZCTEOSA-N 356.470 1.774 0 50 FDAA CCN1CCN(C[C@H](O)COCc2cc(OC)c(OC)c(OC)c2)CC1 19790812 YPYDJTIBVCWXPH-INIZCTEOSA-N 368.474 1.227 0 50 FDAA O=C(Cc1ccncc1)N[C@H]1C[C@H](c2cc(N3CC[C@H](O)C3)ncn2)C1 218793925 LCZWFUKUDMIUSZ-XHSDSOJGSA-N 353.426 1.048 0 50 FDAA Cc1ccc(C(C)(C)CN(C)c2ncnc3c2ncn3C[C@@H](O)CO)cc1 1857529192 CPFMFRVBJVICDZ-MRXNPFEDSA-N 369.469 1.902 0 50 FDAA Cc1nnc(CCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)N)s1 1857682962 MZEQFAKJEOYAGQ-NSHDSACASA-N 371.470 1.484 0 50 FDAA Cc1c(S(=O)(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)cnn1C 1857695325 DUTUYCDBLSPJEF-UHFFFAOYSA-N 371.466 1.908 0 50 FDAA COc1ccc(CC(=O)N[C@@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)c(OC)c1 1857718021 KLKZBRRQXKNJRY-JTDSTZFVSA-N 360.454 1.614 0 50 FDAA CCN1CCC(N2C[C@@H]3[C@H](CNC(=O)c4ccco4)[C@H]4CC[C@]3(C2)O4)CC1 1857724300 TYAXOQCKINJBPX-XKGFGPFHSA-N 373.497 1.973 0 50 FDAA CNC(=O)[C@H]1CC[C@H]2OCCN(C(=O)c3[nH]c4c(c3C)C(=O)CCC4)[C@@H]2C1 1875240789 ZQQDASDLHRKHAY-JGGQBBKZSA-N 373.453 1.598 0 50 FDAA O=C(O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 1708115 OEIUAJRTESSOCC-INIZCTEOSA-N 356.378 1.725 0 50 FDAA in-vitro CCc1cc(C(=O)N2CCO[C@H](c3ccnc(N4CCCC4)n3)C2)n[nH]1 328629595 OZZUTWVDWHSOAP-INIZCTEOSA-N 356.430 1.576 0 50 FDAA Cc1ccc(O[C@@H]2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)C2)cn1 328635724 UXSSYMKCZBIWEL-CYBMUJFWSA-N 374.422 1.814 0 50 FDAA CN1CCN(S(=O)(=O)c2sccc2Cl)C[C@@H]1c1nccn1C 331785412 INTOLEYVFYVFJA-LLVKDONJSA-N 360.892 1.812 0 50 FDAA CC(C)c1noc2ncc(C(=O)N3CCC[C@H](C(=O)NCCN)C3)cc12 132152232 RPFVGFDMJHURIC-LBPRGKRZSA-N 359.430 1.273 0 50 FDAA CN1C[C@H]2CN(C(=O)c3ccc(N4CCCCC4)cc3)C[C@@]2(C(=O)O)C1 248022196 JUQWLFLAXLQHRJ-JXFKEZNVSA-N 357.454 1.765 0 50 FDAA CCCS(=O)(=O)N1CCCC[C@H]1c1nc(C2(OC)CCOCC2)no1 904820316 MMMCQVVREUIPFB-ZDUSSCGKSA-N 373.475 1.989 0 50 FDAA CN1C(=O)[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c4c([nH]c3c1)CCCC4)C2 1704335238 BKGDZIDYHDPYLI-CABCVRRESA-N 367.449 1.976 0 50 FDAA CO[C@@H]1C[C@H](CNC(=O)c2ccc3cncn3c2)N(c2ccncn2)C1 952886671 FBSOUEYASSHILD-HZPDHXFCSA-N 352.398 1.148 0 50 FDAA O=C(CN(CCCO)[C@@H]1CCc2ccccc21)N[C@H]1CCCCNC1=O 1875258613 JHMBRBIINMPSKL-ZWKOTPCHSA-N 359.470 1.143 0 50 FDAA CCN=c1cc(-c2cn(CC(=O)NC3CCN(C(C)C)CC3)nn2)cc[nH]1 1875282233 STHMGGPKDYLQGG-UHFFFAOYSA-N 371.489 1.183 0 50 FDAA COC[C@@H](C)CC(=O)NCC1(Cn2cc(-c3ccc(=N)[nH]c3)nn2)CC1 1875358584 BATYIJBMELKRLH-ZDUSSCGKSA-N 358.446 1.322 0 50 FDAA COC1(CS(=O)(=O)N[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)CCCCC1 1875399307 VQHIXCUCOWTTHW-BZUAXINKSA-N 371.503 1.291 0 50 FDAA CCc1noc(CCC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)n1 1875314183 LKPXZWCGGYIMKN-RYUDHWBXSA-N 350.419 1.785 0 50 FDAA CCn1c(C(=O)N2CCc3c(cnn3C)[C@H]2C(N)=O)cc2ccccc21 1875394465 JRJDDLWQZRVIHL-KRWDZBQOSA-N 351.410 1.620 0 50 FDAA Cn1cc2c(n1)[C@@H](O)CC1(CCN(C(=O)CCCn3cccc3)CC1)O2 1875394848 YUPWQHSMFWOLPG-HNNXBMFYSA-N 358.442 1.879 0 50 FDAA C[C@@H]1COC[C@@](CO)(CNc2ccnc3ncnn23)N1Cc1ccccc1 1875392837 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CN1CC[C@H](NC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)C(C)(C)C1 2325786628 JIVWEWKHMYZYDY-CABCVRRESA-N 374.551 1.220 0 50 FDAA O=C(Cn1[nH]cc2c(=O)ncnc1-2)N[C@]1(c2ccccc2F)C[C@@H](F)C1 2325800833 IBJYLXDCDDBQIK-UJYYRWPFSA-N 359.336 1.354 0 50 FDAA CC1=N[C@H](C2CS(=O)(=O)C2)C(=O)Nc2ccc(Br)cc21 2325809124 IJFINSYLWNRDFM-GFCCVEGCSA-N 357.229 1.623 0 50 FDAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(N3CCNC3=O)cc2C)C1 2325888484 WTODFKKVDPNSKW-CQSZACIVSA-N 356.426 1.888 0 50 FDAA Cc1cc(C)c(C(=O)NC[C@@H]2C[C@H](C(=O)N3C[C@H]4COC[C@H]4C3)CO2)o1 2332237860 OOLWEIFMBBRCAD-JONQDZQNSA-N 362.426 1.136 0 50 FDAA CCOC(=O)N1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1 851830 RXBCIJQPVCJEFZ-UHFFFAOYSA-N 352.387 1.627 0 50 FDAA NCCOc1cccc(CC(=O)N2CCC[C@]3(CCc4c[nH]nc43)C2)c1 2356157736 OSOCOQWXCOFSCF-FQEVSTJZSA-N 354.454 1.796 0 50 FDAA O=C1COC2(CCN(Cc3ccccc3OCCn3ccnc3)CC2)CN1 2356158462 LCDXMVCIUKYCPS-UHFFFAOYSA-N 370.453 1.443 0 50 FDAA O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 4808355 PDMVRESIYDRCBO-GJZGRUSLSA-N 352.456 1.383 0 50 FDAA COc1ccc(S(=O)(=O)Nc2cc(S(N)(=O)=O)ccc2C)cc1 4877484 LKSMCPXSVSVDPK-UHFFFAOYSA-N 356.425 1.452 0 50 FDAA CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 6725464 WMVRQNAGMWXDCG-UHFFFAOYSA-N 374.528 1.740 0 50 FDAA C[C@@H]1CC[C@H](NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)[C@H](C)C1 112954725 WVVZFHCVKGCGPQ-KKZNHRDASA-N 358.236 1.240 0 50 FDAA Cc1nccc(C(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2=O)n1 116105865 ZABOGCIDFNLMKY-GFCCVEGCSA-N 362.336 1.922 0 50 FDAA O=C1O[C@@H]2CN(c3ncccc3Cl)C[C@@H]2N1CCCN1CCOCC1 67851409 WTPYQBBUUZZIRP-LSDHHAIUSA-N 366.849 1.467 0 50 FDAA C[C@@H]1OCC[C@]1(O)CNS(=O)(=O)c1ccccc1OC(F)(F)F 324304741 QBTMYICAJSCSDO-CABZTGNLSA-N 355.334 1.403 0 50 FDAA COc1ccc(NS(=O)(=O)CCCS(=O)(=O)N2CCCC2)cc1 328597678 IQDVOJYPVWPOHG-UHFFFAOYSA-N 362.473 1.253 0 50 FDAA CN(Cc1cc(=O)n2nccc2[nH]1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328621759 ATCCKXHNKSKKHL-IFXJQAMLSA-N 369.473 1.271 0 50 FDAA Cn1[nH]cnc1=NC(=O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1 328603104 DTEMPTHEPGHWQW-ZFWWWQNUSA-N 356.361 1.278 0 50 FDAA CC[C@@H]1CC[C@H](C(=O)N2CCS(=O)(=O)C[C@@H]2c2cnn(CC)c2)O1 328629367 OTTYSTGAGPDGQH-RBSFLKMASA-N 355.460 1.159 0 50 FDAA CN1C[C@@H](C(=O)N2CCN(c3nccc(-c4ccccc4)n3)CC2)CC1=O 216479966 OBLYBDNHSSOJCH-INIZCTEOSA-N 365.437 1.271 0 50 FDAA O=C1CC[C@@H](C(=O)N2CCC(CO)CC2)CN1CCc1cccc(F)c1 39468118 BWYFPFWEWWDFPE-QGZVFWFLSA-N 362.445 1.838 0 50 FDAA CNc1ncc(C(=O)N2CCC[C@@]3(CCC(=O)N(CC4CC4)C3)C2)cn1 77472446 QFUSZDPGXTYGLN-LJQANCHMSA-N 357.458 1.773 0 50 FDAA CN1C(=O)[C@@](CC(=O)NCCC(N)=O)(Cc2ccccc2)c2ccccc21 71759731 ABKSFACLSPRYFZ-OAQYLSRUSA-N 365.433 1.525 0 50 FDAA CC1(S(=O)(=O)NCc2cccc(CNS(=O)(=O)C3(C)CC3)c2)CC1 329743409 XDRMKRHZZOMVPD-UHFFFAOYSA-N 372.512 1.630 0 50 FDAA OCCOCCN1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 72141988 KTPGADVXBJVPAZ-PWIZWCRZSA-N 360.454 1.286 0 50 FDAA O=C(C[C@H]1C=CS(=O)(=O)C1)N1CCC2(CC1)C(=O)Nc1ccccc12 72126391 XHRURGNVAYPOJY-CYBMUJFWSA-N 360.435 1.447 0 50 FDAA O=C(Cc1ccc(O)cc1)N[C@@H]1CCOC[C@H]1Oc1ccc(C(=O)O)cc1 219404066 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Cc1nc(N2CCN(C)CC2)ncc1C(=O)N1CCC[C@@]2(CCCO2)CC1 97532472 WZNUNPCBDVYQSC-HXUWFJFHSA-N 373.501 1.712 0 50 FDAA Cc1cc(C)n(-c2ccc(NC(=O)NCCS(=O)(=O)N(C)C)cc2)n1 244701283 KDGUEGQWEUKKJH-UHFFFAOYSA-N 365.459 1.502 0 50 FDAA Cc1cc(C)n([C@@H]2CCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)n1 244795928 RPXPMKRVDXOVTE-MRXNPFEDSA-N 361.467 1.920 0 50 FDAA CN(CC(=O)NCCn1ncc2ccccc2c1=O)Cc1ccc(F)cc1 252479590 BIDVCEDZGZEHGX-UHFFFAOYSA-N 368.412 1.784 0 50 FDAA Cc1c(C(=O)O)cnn1-c1ccc(C(=O)N[C@@H](C)CO[C@@H]2CCOC2)cc1 299750510 NQCWDYDKINMLRU-BLLLJJGKSA-N 373.409 1.803 0 50 FDAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 299749699 LJAVGLIMSQEKRH-OCCSQVGLSA-N 364.373 1.734 0 50 FDAA CN(CC(=O)NCc1csc2c1CCCC2)[C@H]1CCS(=O)(=O)C1 299783957 HFMJMMVKZKSIPH-ZDUSSCGKSA-N 356.513 1.362 0 50 FDAA NC(=O)Cc1nc(CCN2CCCCC2=O)n(Cc2ccc(F)cc2)n1 826842067 IQRBNJIJEBGBCL-UHFFFAOYSA-N 359.405 1.048 0 50 FDAA O=C(COc1ccccc1Cl)N[C@H]1CCN(c2cnccn2)C[C@@H]1O 1565510866 LLSZOFAIKJQMQP-KBPBESRZSA-N 362.817 1.265 0 50 FDAA CCCCN1C(=O)CC[C@@H](C(=O)NCC(=O)O)[C@@H]1c1ccccc1OC 268945371 ONTIKMYCNDDARB-KDOFPFPSSA-N 362.426 1.976 0 50 FDAA CCS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 408375926 VKBJTVYHMNTDRG-UHFFFAOYSA-N 374.484 1.331 0 50 FDAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2ccon2)CN1Cc1ccccc1OC 95528596 XSQBAPPIRQXXDH-ZBFHGGJFSA-N 372.425 1.192 0 50 FDAA CN(CC(=O)Nc1nc2c(F)cccc2s1)[C@@H]1CCS(=O)(=O)C1 1506398679 WKIAVSHOLFDJNF-SECBINFHSA-N 357.432 1.493 0 50 FDAA Cc1c(NC(=O)C[C@@H]2COc3ccc(C(=O)N(C)C)cc3N2C)cnn1C 1529110849 RMFVSIFKEUEBDL-CQSZACIVSA-N 371.441 1.656 0 50 FDAA CN1C[C@]2(CCCN(c3cncc(C(=O)N4CCCC4)n3)CC2)OC1=O 1704342642 PKSUKMMJCYQHCR-GOSISDBHSA-N 359.430 1.524 0 50 FDAA COCCN1CC[C@@H](C(=O)N2CCCN(CCC(F)(F)F)CC2)C1 1772806178 VETIZFNNHPJFIE-CQSZACIVSA-N 351.413 1.441 0 50 FDAA O=C(CCn1cnc2ccccc21)N1CCCN(Cc2cc[nH]n2)CC1 1772810151 IGRQIKSOOWXZQE-UHFFFAOYSA-N 352.442 1.884 0 50 FDAA CN(c1ccccc1C(=O)N1CC(=O)Nc2ccccc21)S(C)(=O)=O 5060224 BLMKGRJYKBEVJJ-UHFFFAOYSA-N 359.407 1.681 0 50 FDAA O=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1cc(COc2ccccc2F)[nH]n1 12433689 SXRMTMNEPZAPTA-GFCCVEGCSA-N 372.400 1.869 0 50 FDAA CN1CC(=O)N(CC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)C1=O 14237716 SXAMNDYFZAZNRF-GFCCVEGCSA-N 358.423 1.854 0 50 FDAA C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(F)cc1 19932029 NTYZHOLJYQXWPI-OCCSQVGLSA-N 357.451 1.521 0 50 FDAA COCCn1nc2c(c1C(=O)N(C)Cc1cncn1C)C[C@@H](C)O[C@H]2C 1857528268 MDNWRFKRUDLTKB-OLZOCXBDSA-N 361.446 1.557 0 50 FDAA CC(=Cc1ccccc1)CN(C)C(=O)C1CCN(S(N)(=O)=O)CC1 1857529492 GVRZAGBRHHPCGJ-UHFFFAOYSA-N 351.472 1.464 0 50 FDAA Cc1cnc(N[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)nc1 1857529716 DGLPGWYYJWWNCH-CQSZACIVSA-N 355.446 1.584 0 50 FDAA O=C(Cc1cc(C2CC2)no1)N[C@H]1C[C@H](Cn2cc(Cl)cn2)C[C@@H]1O 1857531462 YGUAQKHVQQOSPG-HNHYXYPQSA-N 364.833 1.900 0 50 FDAA NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CC[C@H](c3ccccc3)N2)cc1 1857698254 ZPCDDYJXFZWJGT-QZTJIDSGSA-N 373.478 1.486 0 50 FDAA CN(C)C(=O)C[C@H]1CN2C[C@H](NC(=O)c3cc4ccccc4o3)C[C@H]2CO1 1857717241 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C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cn2cc[nH]c(=O)c2n1 1875271591 BWRLJLPBWNXZQR-OAHLLOKOSA-N 365.437 1.759 0 50 FDAA Cc1nc(O)cc(-c2ccc(NC(=O)N3C[C@H](N)[C@H]4COC[C@@H]43)cc2)n1 1875315098 ILWPVFRDTHOECS-YCPHGPKFSA-N 355.398 1.347 0 50 FDAA C=CC(=O)N1CCN(C(=O)c2cc(N3CCCC3=O)ccc2F)[C@@H](C)C1 1875381242 OHPYPLXSCHXICD-ZDUSSCGKSA-N 359.401 1.811 0 50 FDAA COc1ccccc1C1(C(=O)N[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)CC1 1875402490 HTHQMRLWWPARKI-DJIMGWMZSA-N 355.438 1.879 0 50 FDAA O=C(Cc1cc(C2CC2)no1)N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O 1875403684 YGUAQKHVQQOSPG-AMKSKSKJSA-N 364.833 1.900 0 50 FDAA CCCC1(O)CN(C(=O)c2nc(C)c(C)c(N3CC[C@@H](N(C)C)C3)n2)C1 1875404184 YNNCWEAAYASRCQ-OAHLLOKOSA-N 361.490 1.221 0 50 FDAA C[C@H](OC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)[C@@H]1NC(=O)CNC1=O 2325798894 ILLUOXGQQFAQCV-FTGAXOIBSA-N 372.343 1.745 0 50 FDAA CN1CCC(CNC(=O)c2cnn3c(N)ccnc23)(c2ccccc2)CC1 2325811252 ITDCJUNPUFSQRK-UHFFFAOYSA-N 364.453 1.705 0 50 FDAA CO[C@@H](C)CC(=O)NC1(CN(C)C(=O)c2cnc3n[nH]c(C)c3c2)CC1 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COCCn1c(CN2CCC(CSC)CC2)nnc1[C@H]1C[C@@H](N)C1 252504206 VIFFEAUSODQCMH-GASCZTMLSA-N 353.536 1.704 0 50 FDAA COc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@@H]1N2C(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 252693194 BSOQQWLMYGZOQB-ZHIIESDUSA-N 369.373 1.526 0 50 FDAA biogenic O=C(NCc1ccnc(O[C@@H]2CCOC2)c1)c1cccc(-n2cccn2)n1 163319903 YOFWLIHPRBWGBG-OAHLLOKOSA-N 365.393 1.760 0 50 FDAA CN1CC(=O)N2CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)C[C@H]2C1=O 299767080 CCMSTIJIXMCHRL-ZDUSSCGKSA-N 370.236 1.047 0 50 FDAA COc1ccc(CC(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)cc1OC 299773844 GEZSLQNFNANHKX-LSDHHAIUSA-N 358.398 1.210 0 50 FDAA Cc1sc2nc(CCNC(=O)[C@H]3CCS(=O)(=O)C3)nc(O)c2c1C 299760191 SOINLNPZEUGDNF-JTQLQIEISA-N 369.468 1.107 0 50 FDAA Cc1cc(C)n(C)c(=O)c1C(=O)NCc1csc(-c2cnccn2)n1 828133737 XIXVKNNZMJJFAG-UHFFFAOYSA-N 355.423 1.846 0 50 FDAA CC(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3ncnn3C(C)C)cc2)C1 584886447 RMSQMQPIDSXCOF-KRWDZBQOSA-N 371.441 1.503 0 50 FDAA NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(F)cc3F)CC2)C1 870131498 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CN(C)S(=O)(=O)C[C@@H]1CN(Cc2c(Cl)cccc2Cl)C[C@@H]1O 1529139288 OOVRPISEMKOXSO-HZMBPMFUSA-N 367.298 1.678 0 50 FDAA CC(=O)N[C@H]1CN(C(=O)c2cccc(N3CCNC3=O)c2)C[C@@H]1C(C)C 213338857 XRZIPLMKPVKPLD-SJORKVTESA-N 358.442 1.449 0 50 FDAA C=CCOC(=O)C(CCN1C(=O)c2ccccc2C1=O)C(=O)OCC=C 140082951 LLLZFWZOLYFVGV-UHFFFAOYSA-N 357.362 1.747 0 50 FDAA NC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2ccc(F)cc2)cc1 778715 HJXQJEJLSVMWKN-UHFFFAOYSA-N 372.385 1.631 0 50 FDAA Nc1ncc(CN2CCCN(C(=O)c3nccc4ccccc34)CC2)cn1 1772808298 LYMFSYXXDLOKOY-UHFFFAOYSA-N 362.437 1.955 0 50 FDAA O=C(NCc1cccnc1)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1772806348 DELXZXFGYBVDEJ-CQSZACIVSA-N 358.467 1.796 0 50 FDAA O=C(c1cn(CCNC(=O)C23CC4CC(CC(C4)C2)C3)nn1)N1CCCC1 12049616 VNVWSWNLJURDRU-UHFFFAOYSA-N 371.485 1.847 0 50 FDAA O=C1CCCN1C[C@@H]1CCCN(c2nc3nonc3nc2NC2CC2)C1 12314606 ALGMDYYHXQYGAB-NSHDSACASA-N 357.418 1.426 0 50 FDAA CCOC(=O)[C@@H]1[C@H](c2cccs2)NC(=O)N(C)[C@]1(O)C(F)(F)F 4269788 YOLOFISUIIPWFO-HOTUBEGUSA-N 352.334 1.874 0 50 FDAA 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364.409 1.534 0 50 FDAA COCCN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 299787787 ZOFIPBSMSTWBQW-GOSISDBHSA-N 366.433 1.543 0 50 FDAA O=C(Cn1nc2ccccc2n1)NC1CCN(C(=O)N2CCCC2)CC1 299755709 BWYUQEVBIOFWHG-UHFFFAOYSA-N 356.430 1.228 0 50 FDAA COCc1noc(CNC(=O)Nc2cc(-c3nnc(C)o3)ccc2OC)n1 299779738 QZEOREVATRRZOF-UHFFFAOYSA-N 374.357 1.905 0 50 FDAA CN1CCc2c(CNC(=O)c3ccsc3)c3c(c(O)c2C1=O)OCO3 823806810 QSYZEHCNGRFMOH-UHFFFAOYSA-N 360.391 1.741 0 50 FDAA biogenic Nc1n[nH]c(CNC(=O)N2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)n1 584903727 VUIIXBXXYSFUNM-LLVKDONJSA-N 354.418 1.428 0 50 FDAA O=C(N[C@H]1CCCN(C(=O)c2ccco2)C1)c1nc2ccccc2nc1O 670450913 BCSJGIUYRYLWIP-LBPRGKRZSA-N 366.377 1.963 0 50 FDAA COc1ccc(CN(C)C(=O)CC[C@@H]2NC(=O)NC2=O)c2ccccc12 952873929 RDEUMKYBHIABTG-HNNXBMFYSA-N 355.394 1.795 0 50 FDAA CCc1nccn1CCC(=O)N[C@H]1COCC[C@@H]1OCc1ccccn1 1565511606 YIFNKCNODKREHC-IRXDYDNUSA-N 358.442 1.721 0 50 FDAA CC1CCN(Cc2ccc(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4[C@H]3N(C)C)o2)CC1 1565515257 DEXGTZSLLSHPIX-NQYYFHDYSA-N 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O=C(c1ccc2ncccc2c1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 299572452 ZYAPORYZVWGQCM-MRXNPFEDSA-N 359.451 1.180 0 50 FDAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2cccnc2Cl)c1O 253623863 RIXYIQCHMASHIJ-QMMMGPOBSA-N 351.746 1.335 0 50 FDAA CCNC(=O)[C@H]1CCN(C(=O)c2cccc(-c3nc(N(C)C)n(C)n3)c2)C1 299796886 ODQXQHWTRKFQAH-HNNXBMFYSA-N 370.457 1.146 0 50 FDAA CS(=O)(=O)N1CCCC[C@H]1CCNC(=O)c1ccc2c(c1)CCCO2 299759634 NSBBYTNWIFEGLJ-INIZCTEOSA-N 366.483 1.946 0 50 FDAA CN(C)c1ncc(CN2CCn3nc(CNc4ncccn4)cc3C2)cn1 299762669 WCZLHPBMLPFXQY-UHFFFAOYSA-N 365.445 1.157 0 50 FDAA O=C(O)C[C@H]1CN(C(=O)c2cnc3c(c2)CCCC3)C[C@H]1c1c[nH]nn1 299777399 DWZYHPXLGYITGP-UONOGXRCSA-N 355.398 1.409 0 50 FDAA O=C(O)c1nc[nH]c1C(=O)N1CCCN(CCCc2ccccc2)CC1 299789436 WZYPETSICBEOJZ-UHFFFAOYSA-N 356.426 1.889 0 50 FDAA COCCN1C[C@H](C(=O)N2CCN(c3ccccc3F)CC2)CCC1=O 824412481 XEGCSKLHCPXYKA-OAHLLOKOSA-N 363.433 1.359 0 50 FDAA CN(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)NC1CCN(CCO)CC1 584899257 QUEPOVXCZFGBMZ-UHFFFAOYSA-N 365.865 1.814 0 50 FDAA 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352.435 1.587 0 50 FDAA COc1nc(N2CCS(=O)(=O)C[C@H](C)C2)ncc1Br 191959650 YLBLCBVLIGRNNW-MRVPVSSYSA-N 350.238 1.119 0 50 FDAA NCCc1nc(C(=O)NC[C@H](O)COc2ccc(F)c(F)c2)cs1 194800574 DPFRHANPYCUWHV-VIFPVBQESA-N 357.382 1.092 0 50 FDAA COCCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)c1cccnc1 764705721 PJOSPDWBXRMQBJ-UHFFFAOYSA-N 370.814 1.879 0 50 FDAA COc1ccc(CN(C)CCn2c(O)nc(C)cc2=O)c2cccnc12 1506406085 FKLYDJJAKWGJOL-UHFFFAOYSA-N 354.410 1.946 0 50 FDAA CCN(CCN(C)C)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl 1529126032 OTPFQXATWDWXRK-CVEARBPZSA-N 353.850 1.306 0 50 FDAA COc1ccc(Cl)cc1[C@@H](C(=O)O)N1CCOC2(CCNCC2)C1 1529185005 HLOADQCYTFYICE-HNNXBMFYSA-N 354.834 1.929 0 50 FDAA Cc1ccccc1OC1CN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2cccnc2)C1 1529174262 RXKAUXJQYYPCDG-MOPGFXCFSA-N 367.405 1.236 0 50 FDAA CC(=O)N1C[C@@H]2CNC[C@]2(C(=O)N(C)Cc2cccc3ncccc23)C1 209989986 SLAJGDOJFAPFSL-JXFKEZNVSA-N 352.438 1.261 0 50 FDAA C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CO 3978056 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COc1ccc(CC(=O)N2C[C@H]3COC[C@@H]2CN(Cc2cnc[nH]2)C3)cc1 1704313910 RYDXRZPLUZMPJP-WMZOPIPTSA-N 370.453 1.320 0 50 FDAA Cc1nncn1CCN1CCCN(C(=O)[C@H]2CCc3ccccc32)CC1 1704352888 LYIDPHYMFXBWFM-IBGZPJMESA-N 353.470 1.851 0 50 FDAA CCCCN1C[C@H]2COC[C@@H]1CN(C(=O)c1nc(=O)c3ccccc3[nH]1)C2 1772705373 MSQHJZBQAPVGQD-CABCVRRESA-N 370.453 1.496 0 50 FDAA NC(=O)c1csc(N2CCCN(C(=O)c3ccc(Cl)cn3)CC2)n1 1772818953 CEKCHCQFDITTRW-UHFFFAOYSA-N 365.846 1.643 0 50 FDAA COCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 5051010 HGVLZEGSNWOGMZ-ZDUSSCGKSA-N 358.435 1.379 0 50 FDAA C[C@@H](NC(=O)CS(=O)(=O)CC(=O)Nc1ccccc1)c1ccccc1 12383859 KGBZXPLCSSFELR-CQSZACIVSA-N 360.435 1.917 0 50 FDAA COc1cc(C(=O)NC[C@@H]2CCCO2)c(N(C)S(C)(=O)=O)cc1OC 13582543 DZNUEBIITHXEGZ-NSHDSACASA-N 372.443 1.008 0 50 FDAA C[C@@H](NC(=O)c1cnc2ccccn2c1=O)c1ccc2c(c1)OCCO2 14899207 RKGKJSGCMCSQPA-GFCCVEGCSA-N 351.362 1.957 0 50 FDAA CCCCCOc1ccc(/C=c2/sc3nc(=O)c(C)nn3c2=O)cc1 1798282 VITVTRPNDTYSRK-RVDMUPIBSA-N 357.435 1.936 0 50 FDAA COC1CC(CN[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)C1 1857529257 DAFKVYFNHMAPEZ-HWOWSKLDSA-N 361.490 1.389 0 50 FDAA CC[C@]12COC(=O)N1CCN(S(=O)(=O)c1ccc(-c3cc[nH]n3)o1)C2 1857676239 MBDIZQXESKLJTJ-HNNXBMFYSA-N 366.399 1.275 0 50 FDAA CCC(=O)N1CCC[C@@]2(CN(Cc3ccccc3C(=O)O)CC[C@H]2O)C1 1857688029 PXGVNRFOFNYQON-YLJYHZDGSA-N 360.454 1.970 0 50 FDAA O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1C[C@H]2CO[C@@H](CCO)CN2C1 1857706467 UKJYLQOTYBXVSM-SQNIBIBYSA-N 371.481 1.831 0 50 FDAA COCCN1C[C@@H]2CC[C@H]1CN(S(=O)(=O)c1ccc(C)cc1OC)C2 216440271 RPCPHKANLQYEML-HOTGVXAUSA-N 368.499 1.735 0 50 FDAA O=C(O)[C@H]1CN(C(=O)CCc2ccc(Br)cc2F)CCO1 237965512 DBAJYUZJOHOQTL-GFCCVEGCSA-N 360.179 1.833 0 50 FDAA O=C(NC[C@H]1CCCO1)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl 12003378 CALKFHVPRXRFHS-LLVKDONJSA-N 372.830 1.315 0 50 FDAA CC(C)[C@H](C(=O)N1CCN(c2cccnn2)CC1)N1C[C@@H](C)O[C@H](C)C1 245198417 CMESZNRIFVGKFG-JFIYKMOQSA-N 361.490 1.259 0 50 FDAA Cc1ccc(C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)c(O)n1 377114854 VGWWSWCYNIIPFL-KBPBESRZSA-N 367.405 1.745 0 50 FDAA C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1C[C@@H](C(=O)O)CC[C@@H]1C 263200560 MIWRUSPXDKNWQO-SRVKXCTJSA-N 372.418 1.204 0 50 FDAA CNC(=O)[C@H]1Cn2c(C)nnc2CN1C(=O)c1cc2cc(C)ccc2o1 818364287 KEIKGOQSCFRHDZ-CYBMUJFWSA-N 353.382 1.412 0 50 FDAA CC(C)COc1ncccc1C(=O)NC[C@H](C(=O)O)C1CCOCC1 864279321 CDMIKFGSZZQUFP-HNNXBMFYSA-N 350.415 1.974 0 50 FDAA CCc1cc(C(=O)NC[C@H]2C[C@@H](OC)CN2c2ccncn2)c(C)nn1 952887510 QIMNWVMDYXYZCZ-HUUCEWRRSA-N 356.430 1.161 0 50 FDAA CCc1nc([C@@H]2CN(C(=O)c3ccn(CC(C)C)n3)Cc3c[nH]nc32)n[nH]1 1875393825 UOPMAFIQYLQLSR-CYBMUJFWSA-N 368.445 1.731 0 50 FDAA C=CC(=O)N(CC)CC(=O)N(CC(=O)NC)C[C@@H]1C[C@H]1C1CCCCC1 1875387206 UDGQVQXSFBTSFX-IRXDYDNUSA-N 363.502 1.812 0 50 FDAA Cn1nc(C(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)c2nc[nH]c(=O)c21 1875300121 MFYKDCVVVUFRJP-KGLIPLIRSA-N 351.410 1.798 0 50 FDAA Cc1ccoc1C(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccnn1 1875331969 HKQLOVJEOXGEBS-QDMKHBRRSA-N 357.414 1.379 0 50 FDAA CC(C)(C(=O)N1CC[C@H]1CNC(=O)c1nnc2ccccc2n1)C1CC1 1875346274 YIURGRCKSXGDQW-ZDUSSCGKSA-N 353.426 1.792 0 50 FDAA Cc1cc(C(=O)N2CC3(C2)[C@H](C(=O)O)CCS3(=O)=O)c(C)cc1Cl 1875393387 MARAEDPEFMECJY-LBPRGKRZSA-N 371.842 1.671 0 50 FDAA COc1cc(NCC23CC(NC(=O)c4cccn4C)(C2)[C@@H](C)O3)ncn1 1875408091 OBPWRMVUUCWEEI-RGZNSWCXSA-N 357.414 1.356 0 50 FDAA CCc1cccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@@H]3[C@@H](C)O)C2(C)C)n1 1875407057 RXGHGHDTMKGRFX-MMTVNHQJSA-N 359.470 1.770 0 50 FDAA O=C(NCCn1cc(C2(O)CC2)nn1)[C@@H]1[C@H]2Cc3c(Cl)cccc3[C@H]21 1875408280 SECXXFTWPWXLKF-APHBMKBZSA-N 358.829 1.615 0 50 FDAA COc1ccccc1CN(C)C(=O)CN1C[C@H](OC)C[C@@H]1c1ncc[nH]1 888077786 UZJWQLQYDOHGFX-HZPDHXFCSA-N 358.442 1.839 0 50 FDAA Cc1conc1C(=O)N[C@H]1COC[C@H]1Oc1cnn(-c2ccccc2)c1 888094672 ASOUVMOAPLTDJP-JKSUJKDBSA-N 354.366 1.745 0 50 FDAA O=C(c1cccn2nnnc12)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 897952640 KVWNFDAYCLPQBD-GFCCVEGCSA-N 369.347 1.946 0 50 FDAA CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1cc(=O)c3ccccc3[nH]1)C2 1073278877 KRTKCTHJUZKQID-KGLIPLIRSA-N 368.437 1.746 0 50 FDAA O=C1CC[C@H](N2Cc3c(NC(=O)C4CCCCC4)cccc3C2=O)C(=O)N1 210978298 NIEQJZJRCIEGBQ-INIZCTEOSA-N 369.421 1.966 0 50 FDAA O=C(c1cccc(-n2nc(O)ccc2=O)c1)N1CCC(c2ncco2)CC1 2325758579 ZCXCXXCKFYHXOW-UHFFFAOYSA-N 366.377 1.946 0 50 FDAA Cc1csc(S(=O)(=O)N2CCN(c3nc(C(=O)O)cs3)CC2)c1 2325772339 BNHFNZDOWZYQRV-UHFFFAOYSA-N 373.481 1.722 0 50 FDAA O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC2(CC1)C[C@@H](O)[C@@H](O)CO2 2356159512 DYQGPWBYKWLTIG-CVEARBPZSA-N 364.829 1.938 0 50 FDAA CN1CCN(Cc2cnc(N3CCCCC3)nc2)C[C@@]12CCNC(=O)CC2 107421255 BBHJTPHCVSOBAQ-HXUWFJFHSA-N 372.517 1.253 0 50 FDAA Cc1ccc2[nH]c(SCc3c(C(=O)O)nnn3-c3nonc3N)nc2c1 9546453 QPYIOXYSFMUBPH-UHFFFAOYSA-N 372.370 1.408 0 50 FDAA COc1ccc(OC)c(S(=O)(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)c1 462585319 UUTCLVXHLIIRGT-UHFFFAOYSA-N 370.471 1.724 0 50 FDAA Cc1nn(C)c(N2CCOCC2)c1-c1nc2cc3[nH]c(=O)[nH]c3cc2[nH]1 55413623 GDIQALHYHASYLB-UHFFFAOYSA-N 353.386 1.278 0 50 FDAA c1ccc(-c2nc3c(c(N4CC[C@@H](n5ccnc5)C4)n2)CCNCC3)nc1 65376380 CYUVSTDKRLFPFU-OAHLLOKOSA-N 361.453 1.875 0 50 FDAA CC(C)c1cc(C(=O)N(Cc2ccncc2)C[C@@H]2CCC(=O)N2)n(C)n1 65498252 QLUJAGWBQQGCRB-HNNXBMFYSA-N 355.442 1.860 0 50 FDAA O=C(Nc1cn[nH]c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 331798947 QAMGXDZTAOMLMO-LLVKDONJSA-N 352.391 1.588 0 50 FDAA CC[C@H](O)C(=O)NCc1cccnc1N1CCN(c2ccccn2)CC1 67757610 UFUCJOHPGVNFRV-INIZCTEOSA-N 355.442 1.190 0 50 FDAA CCN(c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1)S(=O)(=O)CC 65363789 AEFWONLPJLUXOC-UHFFFAOYSA-N 367.471 1.200 0 50 FDAA CC(=O)N1CCN(c2nc3cc(Cl)ccc3cc2CNCCO)CC1 12019948 OWRRGKUIBJJYQV-UHFFFAOYSA-N 362.861 1.639 0 50 FDAA CCCn1c(C)nnc1CN1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1 328634315 MOMDWUFSSQICGC-CYBMUJFWSA-N 359.434 1.609 0 50 FDAA COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)OCO3)cc1 983191 AKGRWVDPHHURSC-UHFFFAOYSA-N 364.379 1.341 0 50 FDAA CCn1c(Cn2nc(C(F)F)cc2C(F)F)nnc1SCC(N)=O 2778379 JVRZHJNLPXSAMI-UHFFFAOYSA-N 366.344 1.995 0 50 FDAA Cc1nc([C@@H]2CCCN(c3nc4c(c(O)nc(=O)n4C)n3C)C2)sc1C 329658743 NMDHRIQCOLBAGS-LLVKDONJSA-N 374.470 1.830 0 50 FDAA Cc1cccc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n1 71404022 NYIKQWGCKYZZGV-MRXNPFEDSA-N 370.497 1.985 0 50 FDAA Cc1cnc(CN2C[C@]3(CCCN(c4cnccn4)C3)CCC2=O)cn1 77377646 ADMUXBCXOOVGDJ-LJQANCHMSA-N 352.442 1.984 0 50 FDAA O=C(N[C@@H]1CCN(C(=O)CCc2ccc(O)cc2)C[C@H]1O)c1cccnc1 77505672 YDMVFNLSUOCOPU-QZTJIDSGSA-N 369.421 1.112 0 50 FDAA O=C(c1n[nH]cc1Cl)N1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1 71747400 ROYRBIPKQOGOQL-UHFFFAOYSA-N 356.773 1.407 0 50 FDAA CN(CC(=O)N1CCC[C@@]2(CCC(=O)N(C3CC3)C2)C1)Cc1ccccn1 77469920 GTVDVVJDZZNNFF-OAQYLSRUSA-N 370.497 1.907 0 50 FDAA CNC[C@@H]1CCCN(C(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)C1 237259770 GCKYHFQEGZPXNN-KBPBESRZSA-N 365.499 1.469 0 50 FDAA COCCN1C[C@H](Cc2cc(C(C)=O)ccc2N2CCOCC2)CC1=O 219539173 UEPUAJYNLABFCJ-MRXNPFEDSA-N 360.454 1.763 0 50 FDAA COc1ccc(NC(=O)NC[C@H](O)c2ccccc2)cc1-n1nnnc1C 363221370 QCFIIUADSLIICN-INIZCTEOSA-N 368.397 1.834 0 50 FDAA Cc1nc(N)nc(C)c1CC(=O)N1CCC([C@H](C)N2CCOCC2)CC1 72453873 BHQHBCPQBCVDNR-HNNXBMFYSA-N 361.490 1.177 0 50 FDAA CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2nc(O)[nH]c2c1 368742371 JRQPXKACEKDSIH-INIZCTEOSA-N 350.378 1.582 0 50 FDAA O=C(CN1CCCC1)N1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 72407757 XWXLJHKUOUHXBK-OAQYLSRUSA-N 370.497 1.909 0 50 FDAA CC(=O)N1CCC2(CC1)C[C@@H](C(=O)O)N(Cc1cn3cccc(C)c3n1)C2 72425899 QSUXXLLTDSYTOH-KRWDZBQOSA-N 370.453 1.930 0 50 FDAA CC[C@@H]1CN(C(=O)C2(C(=O)OC)CC2)CCC(=O)N1Cc1ccccc1 71767742 POEHCHWZUVRPEX-MRXNPFEDSA-N 358.438 1.979 0 50 FDAA Cc1cn(CC(=O)NC[C@H](c2ccccc2)N2CCCCC2)c(=O)[nH]c1=O 215856931 WXUGOFDBVBLCCW-QGZVFWFLSA-N 370.453 1.188 0 50 FDAA Cc1ccc2oc(C(=O)NC3[C@H]4CC(N)C[C@H]3CS(=O)(=O)C4)cc2n1 374022105 IECQTBSNEORGSP-LLMNLENHSA-N 363.439 1.017 0 50 FDAA CN(CC(=O)NC[C@H]1CCCN(c2ccccn2)C1)Cc1ccncc1 219519724 VACVROIZRGPOOG-GOSISDBHSA-N 353.470 1.941 0 50 FDAA COc1cc(CN2CCNC(=O)[C@@H]2CC(=O)NCC(C)C)cc(OC)c1 72174241 WCOAJDNNOACGSF-KRWDZBQOSA-N 363.458 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72474555 GWQZMPLFIOHBKJ-IBGZPJMESA-N 365.433 1.923 0 50 FDAA O=C([C@H]1CCC(=O)N(C2CC2)C1)N1CCC(N2CCSCC2)CC1 12709560 GCELGDZXXBWWNP-AWEZNQCLSA-N 351.516 1.427 0 50 FDAA Cn1ncc(N2CC[C@H](CNC(=O)c3ccc4cc[nH]c4c3)C2)cc1=O 77426312 XTIMEKSIJOEGNX-CYBMUJFWSA-N 351.410 1.518 0 50 FDAA Cc1nc(C)n(C[C@@H](C)C(=O)N2CCCN(Cc3cccnc3)CC2)n1 77438346 YCJMPDXFCBIFPW-OAHLLOKOSA-N 356.474 1.661 0 50 FDAA O=C(CCc1cc2n(n1)CCCNC2)NC[C@H]1CCc2ccccc2O1 72458402 PNXYBHBRSDPAJW-GOSISDBHSA-N 354.454 1.819 0 50 FDAA CC(C)[C@@H]1N(C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC12CCOCC2 333999847 QSKZHCPIGBOVLI-INMHGKMJSA-N 362.470 1.825 0 50 FDAA CN(C)Cc1nnc([C@H]2CCCN(C(=O)c3n[nH]c4ccccc34)C2)n1C 77524956 FGNWKNIQOXZHDY-ZDUSSCGKSA-N 367.457 1.773 0 50 FDAA COc1ccc([C@H]2CC(=O)Nc3c2cnn3C(C)(C)C)cc1OCC(N)=O 72116081 YYOOQOHWCXLHID-GFCCVEGCSA-N 372.425 1.985 0 50 FDAA CCN1C(=O)CC[C@@H](C(=O)Nc2ccc(C)nc2O)[C@H]1c1cnn(C)c1 375407981 ZPEQCUDAERPSMO-CZUORRHYSA-N 357.414 1.767 0 50 FDAA O=C(COc1ccc(F)cc1F)N1CCOC[C@](O)(CN2CCCC2)C1 77454843 SOQCSLMPUSXPPE-SFHVURJKSA-N 370.396 1.029 0 50 FDAA c1cncc(-c2noc(Cn3ccnc3-c3cc4n(n3)CCCNC4)n2)c1 72427061 UQHBPCMQWJPPAO-UHFFFAOYSA-N 362.397 1.733 0 50 FDAA N[C@H]1C[C@H](c2cc(N3CCN(c4ccc5nccn5n4)CC3)ncn2)C1 220580389 AJRYGAACYVXTQV-OKILXGFUSA-N 350.430 1.051 0 50 FDAA O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)N1CCSCC1 49208893 QKNTUOLXEBBPCG-AWEZNQCLSA-N 358.460 1.554 0 50 FDAA Cc1cc(NCc2cc3n(n2)CCCN(C(=O)N(C)C)C3)nc(N(C)C)n1 82134765 KENURPZCFYFWNX-UHFFFAOYSA-N 372.477 1.547 0 50 FDAA COc1c[nH]c(CN2CCC3(CC2)Nc2ccccc2NC3=O)cc1=O 82126675 IOOREUXNWVNSLX-UHFFFAOYSA-N 354.410 1.782 0 50 FDAA CCN1C[C@H](CNC(=O)N2CCCOc3c(cccc3OC)C2)CC1=O 426518742 JFDLRHZRLWDWIE-AWEZNQCLSA-N 361.442 1.858 0 50 FDAA C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cccc(OCC(F)F)n1 290793841 DEVXRVLMUJYDPR-TZMCWYRMSA-N 355.385 1.661 0 50 FDAA Cc1nc([C@H]2C[C@H](NC(=O)CN3CCc4ccccc4C3)C2)cc(=O)[nH]1 220522210 KSHSBFPVUVUSKP-CALCHBBNSA-N 352.438 1.499 0 50 FDAA O=C(Cc1n[nH]c2ccccc12)N1CCn2nc([C@@H](O)C3CC3)cc2C1 222768482 IKOJCFXQWYADGI-IBGZPJMESA-N 351.410 1.788 0 50 FDAA CCOCC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 95355797 YRUBYALHPQEFKD-CWFSZBLJSA-N 358.438 1.840 0 50 FDAA COc1ccccc1O[C@H](CO)[C@@H](O)c1cc(OC)c(O)c(OC)c1 95639162 DNBBCCRTOKYTRC-SJORKVTESA-N 350.367 1.891 0 50 FDAA O=C1CC[C@H](C(=O)NCCCSCc2ccccc2F)NC(=O)N1 97602333 FOVOWEOMQUXKNX-CYBMUJFWSA-N 353.419 1.553 0 50 FDAA O=C1N(C[C@H]2COCCO2)C(=O)C2(CCNCC2)N1CCc1ccccc1 95358728 VGDJTMNTDLQIDH-KRWDZBQOSA-N 373.453 1.031 0 50 FDAA COCCCN1CC2(CCN(C(=O)CCc3cnn(C)c3)CC2)CC1=O 95390865 MBSOOJVJGTYFBO-UHFFFAOYSA-N 362.474 1.230 0 50 FDAA CCn1cc(Cl)c(C(=O)N2CCC[C@H](c3ccnn3CC(=O)O)C2)n1 426358681 WOYMAWDUEIUUPR-NSHDSACASA-N 365.821 1.857 0 50 FDAA Cc1nc(O)nc(C)c1CCC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 426615170 PCXIYHJSLFWERO-INIZCTEOSA-N 362.474 1.491 0 50 FDAA O=c1[nH]c(NCCN2CCC(O)CC2)nc2c1Cc1ccccc1OC2 95528485 UELMMAXLBNJDNR-UHFFFAOYSA-N 356.426 1.122 0 50 FDAA COCc1cc(CN(C)C(=O)CN2C[C@H](c3ccccc3)CC2=O)n[nH]1 96130822 FWCSPINOFFOXHX-OAHLLOKOSA-N 356.426 1.531 0 50 FDAA CCn1nc(C)c(NC(=O)N2CCCN(C(=O)[C@H]3CCCO3)CC2)c1C 96132975 AMPSSCNFVWODJW-OAHLLOKOSA-N 363.462 1.765 0 50 FDAA NCCO[C@H]1C[C@@H](O)C12CCN(C(=O)Cc1cccc(F)c1F)CC2 91486444 MBMBUGGIBJSLIJ-CABCVRRESA-N 354.397 1.225 0 50 FDAA COc1ccc(CN2CCC3(CC2)[C@@H](C(=O)O)CC(=O)N3C)c(F)c1 95361309 BCXHXYSYFGPQMT-CQSZACIVSA-N 350.390 1.732 0 50 FDAA Cc1[nH]cnc1CN1C[C@@H]2CC[C@H](C1)N(C(=O)C(=O)c1cccn1C)C2 91461559 OTKWCCMPFLEXOY-LSDHHAIUSA-N 355.442 1.362 0 50 FDAA CCN(C(=O)c1ccc(N2CCOCC2)c(C)c1)[C@H]1CCS(=O)(=O)C1 91876427 KHLBYGCAXRSDJC-INIZCTEOSA-N 366.483 1.481 0 50 FDAA CCn1c(Cn2ccnc2)nnc1C1CCN(c2cc(N)ncn2)CC1 91625199 LMJNXAIWMZKWRJ-UHFFFAOYSA-N 353.434 1.299 0 50 FDAA CC(=O)N1CCC[C@H](C(=O)NCCc2nc(Cc3ccccc3)no2)C1 91351044 QGBDMRBHOLAZGK-INIZCTEOSA-N 356.426 1.578 0 50 FDAA Cc1nc(CCNC(=O)[C@@H](c2cccnc2)N2CCOCC2)sc1C 95386798 STEQYNVLLKHWRN-QGZVFWFLSA-N 360.483 1.887 0 50 FDAA Cc1cc(N2CCN(Cc3cncn3Cc3ccccc3)CC2)nc(N)n1 244594052 DFOXFTWASFNDES-UHFFFAOYSA-N 363.469 1.934 0 50 FDAA CC(=O)C[C@@H]1COCCN1S(=O)(=O)c1sccc1Br 183756222 ZUSKHYNJTHVXLE-SECBINFHSA-N 368.274 1.879 0 50 FDAA COc1ccccc1-c1nn(C)cc1C(=O)N1CCO[C@@H](CC(=O)O)C1 299753078 WSQAJCJDMNRNRX-LBPRGKRZSA-N 359.382 1.411 0 50 FDAA COc1ccc([C@@]2(C(=O)NCCSc3nnnn3C)CC2(C)C)cc1 299798037 UMOYQTXFWCBTCY-QGZVFWFLSA-N 361.471 1.795 0 50 FDAA Cn1nc2n(c1=O)C[C@H](C(=O)NCCCN1CCCc3ccccc31)CC2 299757148 IEWVSOJTQLBNHU-MRXNPFEDSA-N 369.469 1.103 0 50 FDAA CCCN1CCOC2(CCN(C(=O)c3ccc(-n4cnnn4)cc3)CC2)C1 822921619 GPJDGNDUGAQWLG-UHFFFAOYSA-N 370.457 1.379 0 50 FDAA Cc1cccc(=O)n1CCC(=O)NCCc1nc(-c2cccnc2)n[nH]1 670452362 RCYHJOUCEZSGGT-UHFFFAOYSA-N 352.398 1.086 0 50 FDAA CN(C)C(=O)CN1CCN(Cc2cc(CN3CCCC3)cs2)CC1 670468896 FMJIEBDSOIQWCN-UHFFFAOYSA-N 350.532 1.550 0 50 FDAA COCCc1noc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccc2)n1 1565528108 ZEWPPXWHGXESCG-SJORKVTESA-N 370.453 1.882 0 50 FDAA NC(=O)c1ccc(O[C@H]2COCC[C@@H]2NC(=O)c2c(O)cccc2F)cc1 1565530518 FBEJRCSNRQQMGY-HOCLYGCPSA-N 374.368 1.597 0 50 FDAA COCc1nc2n(n1)C[C@H](NC(=O)c1cn(CC(F)(F)F)nc1C)CC2 268694047 SFJWVSWMRQVDEO-SNVBAGLBSA-N 372.351 1.237 0 50 FDAA CC1(C)COCCN1C(=O)CCC(=O)N1CCN(c2ccccc2)CC1 268772214 MDNODFCTFPEJIV-UHFFFAOYSA-N 359.470 1.753 0 50 FDAA C[C@@H]1CN(C2CCN(C(=O)c3ccc(-c4ncn[nH]4)cc3)CC2)CCO1 185505320 UMONRFAOKAEZGD-CQSZACIVSA-N 355.442 1.797 0 50 FDAA CC(C)C[C@H]1OCCC[C@H]1NC(=O)N1CCN(CC(=O)NC2CC2)CC1 186239996 QAVXZSOPPRIIQI-IAGOWNOFSA-N 366.506 1.186 0 50 FDAA COc1ccc(C(=O)N[C@H](c2nc(C(C)C)no2)C2CCOCC2)nn1 275420558 TWWDNUFDEJXKOQ-AWEZNQCLSA-N 361.402 1.889 0 50 FDAA CNC(=O)c1ccn([C@@H]2CCCN(CC(=O)NCc3ccccc3)C2)n1 275959376 MSWLSMBBUYYFAS-MRXNPFEDSA-N 355.442 1.196 0 50 FDAA COCCN1CCCN(C(=O)c2cc(C)nc3c2cnn3C(C)C)CC1=O 191271044 PMCAABMGWPKEIM-UHFFFAOYSA-N 373.457 1.642 0 50 FDAA O=C1NC(=O)[C@]2(CCCN(Cc3cccc(OCC(F)(F)F)c3)C2)N1 192679394 RLYHWRJUKPMUQS-OAHLLOKOSA-N 357.332 1.802 0 50 FDAA C[C@H]1CCNC(=O)[C@@H]1NC(=O)N1CCN(c2cccc(Cl)c2)CC1 194026776 LHTQBLJBMOVEJW-SWLSCSKDSA-N 350.850 1.696 0 50 FDAA C=CC(=O)N(CC)CC(=O)N1CCN(c2ccnc3ccccc23)CC1 908114000 BNJMHRSRABPGAS-UHFFFAOYSA-N 352.438 1.918 0 50 FDAA Cc1cccnc1CN1CCN(c2nccc(N3CCC[C@@H](O)C3)n2)CC1 1529185448 MXBACJDJRTYXHT-QGZVFWFLSA-N 368.485 1.463 0 50 FDAA CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)CN2C(=O)c1ccc(O)c(Cl)c1 216529303 CWSGRBHURDAUQE-OCCSQVGLSA-N 365.861 1.670 0 50 FDAA CCOc1ncccc1C(=O)N1CCCN(C(=O)C2CCOCC2)CC1 1704302567 PRNYNTJEKFHKQI-UHFFFAOYSA-N 361.442 1.581 0 50 FDAA COc1ccccc1N1C[C@H](C(=O)NCc2[nH]nc3ncccc23)CC1=O 1772813339 XKRRUZLHMRLMJX-GFCCVEGCSA-N 365.393 1.636 0 50 FDAA Cc1noc(CN2CCCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)n1 1772702154 PYYHNRDEBHZFLH-UHFFFAOYSA-N 366.425 1.912 0 50 FDAA Nc1nc(CN2C[C@@H]3CNC[C@@]3(CO)C2)nc2sc3c(c12)CCCC3 1772700400 DBCYZNMRJKFBBF-VOJFVSQTSA-N 359.499 1.166 0 50 FDAA O=C(/C=C/c1ccncc1)N1CCC(CCC(=O)N2CCOCC2)CC1 11662057 NWOMCVPBGAZSBF-HNQUOIGGSA-N 357.454 1.972 0 50 FDAA CC(=O)NCC(=O)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2=O)C1 12708576 CVYLRCVWIKKAEF-FQEVSTJZSA-N 363.502 1.934 0 50 FDAA NC(=O)c1ccc([C@@H]2CCCN2C(=O)c2ccc(-n3cnnn3)cc2)s1 19867502 JULCCZYINRYWQD-ZDUSSCGKSA-N 368.422 1.800 0 50 FDAA O=C(O)COc1cccc(/C=c2/sc3nc4ccccc4n3c2=O)c1 4489017 KAOIVZGTRPILIH-OQLLNIDSSA-N 352.371 1.920 0 50 FDAA NC(=O)Cc1nc([C@H]2CCn3ncnc3C2)n(-c2cccc3cccnc23)n1 1857666906 UZWRGZJUWWLZIP-ZDUSSCGKSA-N 374.408 1.165 0 50 FDAA CCc1ccc(-n2cnnc2)cc1NC(=O)c1cn2c(n1)CCNCC2 1857710304 PVPKCAAQLFJPDU-UHFFFAOYSA-N 351.414 1.424 0 50 FDAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN(c2nncs2)CC1 1857721564 VWZHEZUYFLGUBW-UHFFFAOYSA-N 374.470 1.355 0 50 FDAA O=C(c1ccc(Cn2ccnc2)o1)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857732001 XLHBFUULQMPRKS-QAPCUYQASA-N 356.382 1.088 0 50 FDAA CC(C)CCC(=O)N1C[C@@H]2[C@H](CNS(=O)(=O)C3CC3)[C@H]3CC[C@]2(C1)O3 1875246882 DQUOSMXLMUBQSN-BVIKNXMNSA-N 370.515 1.510 0 50 FDAA CNC[C@@H]1CCCN(C(=O)C[C@H](NC(C)=O)c2c(F)cccc2F)C1 237178979 IZHZKYCKZCXLND-BBRMVZONSA-N 353.413 1.990 0 50 FDAA Cc1cc(Br)c2c(c1)CN(C(=O)NC[C@H]1CNC(=O)C1)CC2 334131764 UWSCIAOVBHVENK-LLVKDONJSA-N 366.259 1.961 0 50 FDAA O=C(O)CC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C1 237951905 KBZIMGPYXXVHHN-WDEREUQCSA-N 350.337 1.501 0 50 FDAA COc1ccc(CCNC(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c(Cl)c1 248571748 CUBVSWJWVSENGU-KBPBESRZSA-N 369.893 1.988 0 50 FDAA CCC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CC(=O)N(c2cccc(OC)c2)C1 363204429 CELBZTOEHSENBZ-WMLDXEAASA-N 373.453 1.708 0 50 FDAA Cc1c(NS(=O)(=O)c2cn3c(n2)CCCC3)cccc1-n1cnnc1O 811720270 ZUROATPNYRXJFT-UHFFFAOYSA-N 374.426 1.615 0 50 FDAA COCCn1ccnc1[C@@H]1N(C(=O)COCc2nc(C)no2)CC1(C)C 952890415 ABUUPENBZSLNJI-HNNXBMFYSA-N 363.418 1.347 0 50 FDAA O=C1NC(=O)[C@@]2(CCC[C@@H]2NC(=O)c2ccc(-c3cscn3)cc2)N1 1875328996 WTBWUCSMCBLGML-GUYCJALGSA-N 356.407 1.671 0 50 FDAA CC(=O)N1CCC(NC2CCN(C(=O)c3cccc(N(C)C)c3)CC2)CC1 1875361369 XVMIHPSABGEODT-UHFFFAOYSA-N 372.513 1.958 0 50 FDAA C=CC(=O)NC[C@H](NC(=O)C(F)(F)c1ccnn1C)C1CCCCC1 1875386811 YYOZFEODJWMPSE-ZDUSSCGKSA-N 354.401 1.879 0 50 FDAA NC(=O)c1cccc(C(=O)N[C@H]2CCC[C@@H]2CN=c2ncc(F)c[nH]2)c1 1875307612 GDKDSUNVWSNCHZ-HIFRSBDPSA-N 357.389 1.147 0 50 FDAA C=CC(=O)N1CCC(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)CC1 1875365397 WPZUCMKZQMADHU-SFHVURJKSA-N 369.465 1.671 0 50 FDAA CN1Cc2cc(C(=O)N[C@@H]3C[C@@H](Cn4ccnc4)C[C@H]3O)ccc2NC1=O 1875402207 BXVZTCGLMPJMGU-CSMYWGQOSA-N 369.425 1.430 0 50 FDAA CC[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2nccn2C)C2(CCC2)C1 1875405088 QDXQQGTXHSYNAF-BZUAXINKSA-N 358.486 1.896 0 50 FDAA O=C(NCCn1cc(C2(O)CC2)nn1)[C@@H]1[C@@H]2Cc3c(Cl)cccc3[C@H]21 1875408281 SECXXFTWPWXLKF-DAXOMENPSA-N 358.829 1.615 0 50 FDAA O=C(CCc1cn[nH]c1)N1CCC[C@@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2100534529 MSRBLEKQUOZXQW-MBOZVWFJSA-N 374.485 1.629 0 50 FDAA COc1cccc2c1C[C@H](NC(=O)[C@H](O)[C@@H](O)c1nc3ccccc3[nH]1)C2 2325751437 AOTNHQQEJHTCNC-NXOUGTEYSA-N 367.405 1.249 0 50 FDAA Cc1cnc(CN(C)C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)[nH]1 2325768357 LJVUZFKILDPTFE-MRXNPFEDSA-N 371.489 1.465 0 50 FDAA COC(=O)CC12CC(N=c3ccc4nnc(Br)n4[nH]3)(C1)C2 2325799505 CPVULJIIJVVJCC-UHFFFAOYSA-N 352.192 1.206 0 50 FDAA Cc1nc(N2CCN(C)CC2)ccc1NC(=O)Cc1ccn2cncc2c1 2325805406 GKQNEJUKGOFUHE-UHFFFAOYSA-N 364.453 1.971 0 50 FDAA CC(=O)NCCC(=O)N1[C@H](C(=O)O)CS[C@@H]1c1ccc(Cl)s1 2325805487 MRSNULYXMSLXCZ-QPUJVOFHSA-N 362.860 1.955 0 50 FDAA Cc1ccc2nnc(CNC(=O)N3CC[C@]4(C3)OC(=O)NC4(C)C)n2c1 2325851369 YACUZEBBIPVJFO-QGZVFWFLSA-N 358.402 1.210 0 50 FDAA CN1CCC[C@]2(CCCN2C(=O)CCc2nc3ccccc3[nH]c2=O)C1=O 2356135861 WTBIFZXOLLYAGI-FQEVSTJZSA-N 368.437 1.469 0 50 FDAA COCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 2872203 DCSGVBDIVIEWEC-UHFFFAOYSA-N 366.414 1.784 0 50 FDAA c1ccc(CN2CCOCCOCCOCCOCCOCC2)cc1 3895801 VZPRAOYHVHWTJR-UHFFFAOYSA-N 353.459 1.585 0 50 FDAA CCc1noc(C)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 6549454 RPHIEGZJXJHKCJ-UHFFFAOYSA-N 363.439 1.692 0 50 FDAA Cc1ccccc1NC(=O)CC(=O)NCCc1nc(-c2cccnc2)n[nH]1 55099479 GVZYRFQPJZHYOO-UHFFFAOYSA-N 364.409 1.863 0 50 FDAA Cc1cn2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1-c1ccccc1O 9060377 DVJAJOGXQYNQQO-UHFFFAOYSA-N 367.409 1.809 0 50 FDAA COc1ccc(CN2CCN(c3nccc(N)n3)C[C@H]2CCO)cc1C 107011876 XVTHZMBDAZNMDU-MRXNPFEDSA-N 357.458 1.449 0 50 FDAA COc1ccc(C(=O)N2CCC[C@@H](Cn3cc(CN)nn3)C2)c(F)c1F 23399564 SXIQRSVHEFHAKE-LLVKDONJSA-N 365.384 1.576 0 50 FDAA C[C@H]1CN(C2CCN(C(=O)CC3=CSC4=NCCN34)CC2)C[C@@H](C)O1 102562858 KLZJWQRCYLXWLJ-OKILXGFUSA-N 364.515 1.737 0 50 FDAA O=C(Cc1n[nH]c(=O)[nH]1)NCc1cccnc1Oc1ccc(F)cc1F 67818965 ZLDZQXQZWWJXLK-UHFFFAOYSA-N 361.308 1.422 0 50 FDAA CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)COc1coc(C)cc1=O 409413323 HNAGFOCVDYABAG-HNNXBMFYSA-N 356.378 1.027 0 50 FDAA biogenic NC(=O)NCC(=O)N1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2)C1 11754060 VWZSMQRLEQHDTI-GOSISDBHSA-N 366.412 1.448 0 50 FDAA O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)CNCCn1cccn1 67847668 IXVHSRAHYTTYEV-GOSISDBHSA-N 364.396 1.305 0 50 FDAA COc1ccccc1CN1C[C@H](C(=O)NCCc2cnccn2)CCC1=O 11838545 XSPBTUNUNWQUSG-MRXNPFEDSA-N 368.437 1.583 0 50 FDAA COc1cccc([C@H]2CCCN2S(=O)(=O)c2cnn(CC(=O)O)c2)c1 326840876 LMMZKZMKXIWNIN-OAHLLOKOSA-N 365.411 1.502 0 50 FDAA O=S(=O)(NCc1ccccc1)N1CCN(CCc2ccncc2)CC1 71714495 PUVACFOFTWVFJE-UHFFFAOYSA-N 360.483 1.276 0 50 FDAA O=C([C@H]1Cc2ccccc2O1)N1CCc2ncnc(NC3CC3)c2CC1 72463356 XDCZBFQHFBNWCB-GOSISDBHSA-N 350.422 1.982 0 50 FDAA CCS(=O)(=O)NCCCN(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328629079 HXFWNUCDTNPESJ-DOTOQJQBSA-N 371.551 1.064 0 50 FDAA COCCNC(=S)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 7639703 UIRHPVXTJSPYEF-UHFFFAOYSA-N 371.528 1.131 0 50 FDAA Cn1c(O)nc2ccc(C(=O)N3CCC(Oc4cnccn4)CC3)cc21 330168473 CRNVLXCMSFRKQP-UHFFFAOYSA-N 353.382 1.753 0 50 FDAA CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ncncc2Cl)C1 330553337 DGIZGDSCZSFBGU-PSASIEDQSA-N 350.728 1.802 0 50 FDAA COc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CCN(C)CC2)c(OC)c1 363095332 ZZSIWOCZDGGHQN-INIZCTEOSA-N 361.442 1.082 0 50 FDAA COc1cc2ncn(CCC(=O)NC[C@@H]3CCCO3)c(=O)c2cc1OC 32105874 RLPHTIQVKJEJPE-LBPRGKRZSA-N 361.398 1.099 0 50 FDAA Cc1cc(C)c2nonc2c1S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C)C2=O 72422384 IMURYLVHIVBTID-NWDGAFQWSA-N 364.427 1.081 0 50 FDAA O=C1NCCN1[C@@H]1CCCN(C(=O)C2(c3ccccc3)CCOCC2)C1 368831043 YJXZNCZVLPEORS-QGZVFWFLSA-N 357.454 1.751 0 50 FDAA Cc1ccc(OCC(=O)N2CCOC[C@@](O)(CN3CCCC3)C2)cc1C 77343607 LMQRXFJOIIDNQR-HXUWFJFHSA-N 362.470 1.368 0 50 FDAA Cc1c(C(=O)N2CCC[C@@H]2C(=O)O)nnn1-c1cccc2ncccc12 237749839 GKDMNJDIEIFGIR-OAHLLOKOSA-N 351.366 1.813 0 50 FDAA Cc1ccc2nc(SCC(=O)N3CCc4c(nc(N)[nH]c4=O)C3)[nH]c2c1 71759492 LJSFRWBKXQUHIZ-UHFFFAOYSA-N 370.438 1.214 0 50 FDAA COc1cccc([C@H]2CN(C(=O)C3(C(N)=O)CC3)[C@@H]3C4CCN(CC4)[C@H]23)c1 72158957 SXASEEIRVDFKME-KZNAEPCWSA-N 369.465 1.349 0 50 FDAA COc1ccc(CN2CCN(C(=O)[C@H](C)n3nc(C)cc3C)CC2=O)cc1 77355325 UVRXKBMXGHKNRG-INIZCTEOSA-N 370.453 1.941 0 50 FDAA Cn1c(CN2CCCC2)nnc1C1CCN(C(=O)c2ccc(CO)o2)CC1 77471943 GWLXNCISYJPRRF-UHFFFAOYSA-N 373.457 1.516 0 50 FDAA O=C(CCC1CCOCC1)NCC(=O)N1CCN(c2ccccc2)CC1 172899157 CFSREAXFBCPZOB-UHFFFAOYSA-N 359.470 1.658 0 50 FDAA Cc1noc(C2CCN(C(=O)[C@@H](C)n3nnc(-c4ccccc4)n3)CC2)n1 173703658 GRUQVIHQNCFQMR-GFCCVEGCSA-N 367.413 1.999 0 50 FDAA C[C@H]1OCCN(S(=O)(=O)c2c(Cl)cccc2Cl)[C@@H]1C(N)=O 284707629 KIFNAFYHEDXRPY-XCBNKYQSSA-N 353.227 1.257 0 50 FDAA Cc1noc(C)c1CC(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C 284779818 ILJKPMKCGBZOTJ-RDTXWAMCSA-N 357.414 1.188 0 50 FDAA CCOCCn1nc(C)cc1C(=O)NC[C@H]1CCCN(c2ncccn2)C1 221309447 UROBSXSNAQXFLO-MRXNPFEDSA-N 372.473 1.664 0 50 FDAA CCS[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1NC(C)=O 221698982 HWVFWNMATMHVMS-UTQGOSHXSA-N 353.440 1.444 0 50 FDAA O=C(Cn1nc2c(cc1=O)CCCCC2)NCC1CCC(C(=O)O)CC1 49548551 HXGCVOPEKUHPEP-UHFFFAOYSA-N 361.442 1.519 0 50 FDAA CC(=O)c1cccc(C(=O)N[C@@H]2CCN(Cc3cscn3)C[C@H]2O)c1 426597280 TYLOJEXCUKKOLJ-IAGOWNOFSA-N 359.451 1.711 0 50 FDAA COc1ccc(CC(=O)N[C@@H]2CCN(Cc3cscn3)C[C@H]2O)cc1 426383308 OXZIKPAJQAOCNE-IAGOWNOFSA-N 361.467 1.446 0 50 FDAA CN(C)C(=O)Cn1cnc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)n1 175942987 OAIRRRDVMVUAMV-CQSZACIVSA-N 360.393 1.874 0 50 FDAA COc1ccccc1N1CC[C@@H](Nc2nc(C)nc3c2cnn3C)C1=O 176802192 LTFNMLAAARYPFQ-CYBMUJFWSA-N 352.398 1.898 0 50 FDAA CN(C)C(=O)N1CCn2nc(CNC(=O)NCc3ccccc3F)cc2C1 82120724 UILODKRBFWVXIA-UHFFFAOYSA-N 374.420 1.519 0 50 FDAA CN1C[C@@]2(CCCN(C(=O)NCc3nc(-c4ccccc4)n[nH]3)C2)OC1=O 426537452 IUFYTYXTZKRJBF-GOSISDBHSA-N 370.413 1.598 0 50 FDAA C[C@H]1CN(c2ccccc2Cl)C(=O)CN1C(=O)c1ccn(C)c(=O)c1 82146511 NRSPROTYUYXLBL-LBPRGKRZSA-N 359.813 1.916 0 50 FDAA O=C(O)[C@H]1[C@H](C(=O)Nc2ncn(Cc3ccc(F)cc3)n2)[C@H]2C=C[C@H]1O2 239338645 KWQHSPZZIPROAQ-AAVRWANBSA-N 358.329 1.058 0 50 FDAA Cc1cc([C@@H]2CCCCN2C(=O)CN2CC3(CCNCC3)OC2=O)no1 95527733 SIWPGDUNPQUBAY-HNNXBMFYSA-N 362.430 1.611 0 50 FDAA CCN=c1cc[nH]c(-c2ccc(C(=O)N3CCC(=O)NC[C@@H]3C)cc2)n1 426412332 DEIKCGSYNMCYKA-ZDUSSCGKSA-N 353.426 1.348 0 50 FDAA COc1cccc(-c2nc(CN3CC(=O)N4CCC[C@H]4C3=O)c(C)o2)c1 95512804 AJVUHUVDUOECRS-INIZCTEOSA-N 355.394 1.992 0 50 FDAA O=C(NC1(CN2CCOCC2)CCCC1)c1ccnc(-n2cnnc2)c1 97437017 MQFXWDSTAVCMTF-UHFFFAOYSA-N 356.430 1.037 0 50 FDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(Cc1cnn(CC)c1)CC2 91288871 SQAAKTHLJHVMDW-UHFFFAOYSA-N 356.474 1.912 0 50 FDAA NC(=O)C1(NC(=O)[C@@H]2CC(=O)N(Cc3ccncc3)C2)CCCCCC1 95505700 SIRHMQIJJUCWJR-OAHLLOKOSA-N 358.442 1.125 0 50 FDAA O=C1CC[C@@]2(CCCN(C(=O)CN3CCCC3)C2)CN1CCc1c[nH]cn1 91679140 SKUOGYQEIYRJBT-HXUWFJFHSA-N 373.501 1.279 0 50 FDAA O=C(c1cccc(-n2cnnc2)c1)N1CCN(CCn2cccc2)CC1 91594307 QHOMHYYUMKYHIK-UHFFFAOYSA-N 350.426 1.527 0 50 FDAA COc1ccc2c(c1)OC[C@@H](CNC(=O)CN(C)Cc1cccnc1)C2 92046090 KELPDKUMUHNZDF-MRXNPFEDSA-N 355.438 1.890 0 50 FDAA O=C(NCCCn1nnc2ccccc21)c1coc(CN2CCOCC2)c1 95375634 MKHDWMSCEKSXHG-UHFFFAOYSA-N 369.425 1.677 0 50 FDAA CCOC(=O)[C@@H]1C(=O)CC(=O)[C@H](C(=O)OCC)[C@H]1c1ccc(OC)cc1 245235879 OTIWTQBEHDDZDU-BJWYYQGGSA-N 362.378 1.679 0 50 FDAA COCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](C)C(=O)Nc1ccccc1 268418727 AJPMYGDZMPNJMW-GXTWGEPZSA-N 372.429 1.586 0 50 FDAA COCCN1C[C@H](C(=O)NC2CCN(c3ccccc3F)CC2)CC1=O 252483317 DYYGTNRNSLKVGH-CQSZACIVSA-N 363.433 1.406 0 50 FDAA COc1ccccc1N1CCN([C@@H]2CCCN(S(C)(=O)=O)C2)CC1 63869655 VMCBQXVCVBLGJK-OAHLLOKOSA-N 353.488 1.241 0 50 FDAA COc1ccc(C(=O)NC2CC2)cc1NC(=O)N1CCc2n[nH]cc2C1 299784695 PXDNLSOQYDYIJV-UHFFFAOYSA-N 355.398 1.901 0 50 FDAA Cc1nnnn1-c1ccc(NC(=O)N(C)C2CCS(=O)(=O)CC2)cc1 299768235 JFOOQPRGFKWFHK-UHFFFAOYSA-N 364.431 1.012 0 50 FDAA COc1ccc([C@@H](C)NC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1 299410727 QMWMHECSSANZRO-MRXNPFEDSA-N 374.485 1.706 0 50 FDAA COC1CCN(S(=O)(=O)N[C@H](C)c2ccccc2-n2cccn2)CC1 656933482 AQKGFYNVYDNCNM-CQSZACIVSA-N 364.471 1.879 0 50 FDAA COC[C@H]1CCCN1S(=O)(=O)NCc1csc(-c2cnccn2)n1 824371079 TYHNVWNPDOTHPL-GFCCVEGCSA-N 369.472 1.045 0 50 FDAA COc1cc(F)c(CN2CCC3(CC2)CN(C(=O)CO)CCO3)c(F)c1 828644790 JLGOMSGHWRQTRG-UHFFFAOYSA-N 370.396 1.159 0 50 FDAA Cc1ccc2nc(C(=O)N3CC[C@H](Nc4ncccn4)[C@@H](O)C3)c(F)n2c1 1565509381 JTNRJMRNWHQKNI-STQMWFEESA-N 370.388 1.259 0 50 FDAA O=C(N[C@H]1CCN(Cc2cscn2)C[C@@H]1O)c1cnc2c(c1)CCCC2 1565526307 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Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@@H](C)n1cncn1 275487385 OJYKAZQWVLNQOJ-RDBSUJKOSA-N 366.466 1.675 0 50 FDAA COc1cc(CN2C[C@@H]3CC[C@H]2CN(S(=O)(=O)N(C)C)C3)ccc1F 213202518 NJLQLOULRXAVJN-GJZGRUSLSA-N 371.478 1.537 0 50 FDAA COCc1noc(CN2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)n1 1704306494 VJQCUJSKJMWUEL-RHSMWYFYSA-N 354.410 1.800 0 50 FDAA CN1CCOC2(CCN(S(=O)(=O)c3cc(C(=O)O)ccc3F)CC2)C1 1772808546 SUFDLBWUVISOFS-UHFFFAOYSA-N 372.418 1.009 0 50 FDAA CN(Cc1ccno1)C[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O 15067929 VSOMJSGMIJJVFV-SFHVURJKSA-N 365.380 1.938 0 50 FDAA Cc1nn(C)cc1[C@H](C)NC(=S)Nc1ccc(S(N)(=O)=O)cc1 2858052 XZALBNGPGOPFJC-VIFPVBQESA-N 353.473 1.424 0 50 FDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cn(C(C)C)cn3)C2)n1 1857529734 KGMYOPJPYGEPIP-OAHLLOKOSA-N 371.489 1.599 0 50 FDAA COC(=O)CNC(=O)[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857707546 BUQSPPWCNHGQRZ-JTQLQIEISA-N 351.790 1.987 0 50 FDAA CNC(=O)Cc1nc([C@]2(c3ccccc3F)CC2(C)C)n(CC(=O)O)n1 1857708593 BTMSANATOLFZSF-GOSISDBHSA-N 360.389 1.506 0 50 FDAA NC(=O)N1CCC[C@@H](C(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)C1 1857709633 JNYKQPYANKYHCM-OAHLLOKOSA-N 367.453 1.795 0 50 FDAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)C4Cc5ccccc5C4)[C@@H]2CC(=O)N13 1857731113 AARNBGHFAPZPKU-UEXGIBASSA-N 354.450 1.986 0 50 FDAA CC(C)[C@H]1CN2C[C@@H](NC(=O)CCn3c(O)nc4ccccc43)C[C@H]2CO1 1857737327 HTAFMAOQBKHTJE-RLFYNMQTSA-N 372.469 1.746 0 50 FDAA CN(C/C=C/c1ccccc1)CCn1cc(C(=O)N2CCN(C)CC2)nn1 11908867 ATFREXVJYKBKPM-RMKNXTFCSA-N 368.485 1.311 0 50 FDAA CCN(C(=O)NCCN1CCN(C(=O)N(CC)C(C)C)CC1)C(C)C 241862472 SQGLPMZNHKXRAQ-UHFFFAOYSA-N 355.527 1.894 0 50 FDAA Cc1cccc(C(=O)N2C[C@@H]3CN(C4CCOCC4)C[C@]3(C(=O)O)C2)n1 248129642 YAPYWXMFNRWPAJ-LIRRHRJNSA-N 359.426 1.028 0 50 FDAA CC1(C)[C@@H](O)C[C@H]1NC(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1 365980466 HYZLZBFPCPVDRA-CABCVRRESA-N 367.467 1.285 0 50 FDAA Cc1ccc(C(=O)NCc2cn3c(n2)CCCC3)cc1NS(C)(=O)=O 263836007 QQQDHMCIQLLUQD-UHFFFAOYSA-N 362.455 1.829 0 50 FDAA Cc1cc(C)n(-c2ccc(CCNC(=O)[C@@H]3C[C@@H]4OCC[C@@H]4N3)cc2)n1 912380523 HRSWRSXVCMQDNJ-FHWLQOOXSA-N 354.454 1.667 0 50 FDAA CC(=O)N1CCO[C@H](C(=O)NCc2cc(F)c(C(F)(F)F)cc2F)C1 935987388 LHHIZCZNUXVXMK-ZDUSSCGKSA-N 366.286 1.847 0 50 FDAA C=CC(=O)N1CCC(C(=O)N(C)CCNC(C)=O)(c2ccccc2)CC1 848237898 KRNFSSUSQWWTAX-UHFFFAOYSA-N 357.454 1.327 0 50 FDAA Cc1cc(C(=O)N2CC[C@@H](c3cc(O)nc(N4CCCC4)n3)C2)n(C)n1 864859223 MBPRFNIXWZENFB-CYBMUJFWSA-N 356.430 1.454 0 50 FDAA NCC(F)(F)CC(=O)N1CC[C@@](c2nc(C3CC3)no2)(C(F)(F)F)C1 952895086 SPIOTNQNBGCQNY-GFCCVEGCSA-N 368.306 1.964 0 50 FDAA COCCn1ccnc1[C@H]1N(C(=O)COCc2nc(C)no2)CC1(C)C 952890418 ABUUPENBZSLNJI-OAHLLOKOSA-N 363.418 1.347 0 50 FDAA CC(C)CN(C)c1ccc(C(=O)N2CCC3(CC2)CS(=O)(=O)C3)cn1 1875276488 PTWLDPUYALBGGT-UHFFFAOYSA-N 365.499 1.825 0 50 FDAA CCn1cnc(C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)c3conc3C)C2)c1 1875280532 TWYYJUWAJWMENQ-PBHICJAKSA-N 371.441 1.966 0 50 FDAA Cn1cc(C2=CCCN(C(=O)c3cc4c(cc3F)OCC(=O)N4)C2)cn1 1875294776 WWVXCZVKTMBUDW-UHFFFAOYSA-N 356.357 1.820 0 50 FDAA C=CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2COc3c(OC)cccc3C2=O)C1 1875379549 VTRCRBVSHCXZSX-TZMCWYRMSA-N 358.394 1.180 0 50 FDAA Cc1c(C[C@@H](N)C(=O)NC[C@H](O)c2ccc3ccccc3c2)cnn1C 1875304656 QHECIQUSXWNGKG-MOPGFXCFSA-N 352.438 1.601 0 50 FDAA COc1ccc(-c2noc(=N[C@@H]3C[C@H](Cn4ccnc4)C[C@H]3O)[nH]2)cc1 1875398186 FXXXIGMWWFYBJA-APHBMKBZSA-N 355.398 1.615 0 50 FDAA CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccncc2)C1)C(=O)N1CCOCC1 1875322286 OKXSUDJKIQMKJI-QZTJIDSGSA-N 374.485 1.047 0 50 FDAA CCn1c(O)nnc1[C@H]1[C@@H](C2CC2)CCN1C(=O)Cn1cccc(C)c1=O 1875401677 OOBBIYGPVKWSOC-GDBMZVCRSA-N 371.441 1.474 0 50 FDAA CC(=O)N1C[C@@H](NC(=O)Cn2ccc(C)cc2=O)CC[C@@H]1C(F)(F)F 886088813 WFABSIUXAHTABH-QWHCGFSZSA-N 359.348 1.215 0 50 FDAA Cc1cc(C(=O)NC[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2nccn2C)n[nH]1 886026653 AZKPFQSHZXQKCE-WBMJQRKESA-N 356.430 1.324 0 50 FDAA Cc1noc([C@H]2CC(=O)N(C3CN(C(=O)C4(C(C)(F)F)CC4)C3)C2)n1 888098621 QZTIUYLVHKGOLR-JTQLQIEISA-N 354.357 1.340 0 50 FDAA Cn1nc(C2CC2)nc1CN[C@@H]1CCCC[C@@H]1Cc1nn(C)c(=O)n1C 888098194 BFIPWZNCNJFOEH-ZIAGYGMSSA-N 359.478 1.016 0 50 FDAA O=C(Cn1cccnc1=O)N1C[C@H]2CC[C@@H](C1)N(Cc1ccccc1)C2 1073416306 XKNUDYOOTFTGCR-ROUUACIJSA-N 352.438 1.366 0 50 FDAA Cc1c(S(=O)(=O)N(C)Cc2c(Br)cnn2C)cnn1C 20602457 XYDJHTOQORDKEG-UHFFFAOYSA-N 362.253 1.045 0 50 FDAA CCc1c(C)[nH][nH]c1=NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 2100477658 FTQRJSMBTFBABP-LBPRGKRZSA-N 350.444 1.496 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O)c1cc2ncccc2[nH]1 2325785736 LLINYEMLQWBMRB-QSGSBWRWSA-N 359.817 1.982 0 50 FDAA CN1CCN(c2ccccc2CNC(=O)c2ccc3oc(=N)[nH]c3c2)CC1 2325815509 UKSUWZVDLSTAPK-UHFFFAOYSA-N 365.437 1.922 0 50 FDAA O=C(N[C@H]1c2ccccc2OC[C@H]1O)c1csc(-c2ncccn2)n1 2325849547 SRKHPJSTXXREHC-OCCSQVGLSA-N 354.391 1.825 0 50 FDAA CCCN(CCNC(=O)C1CCC1)C(=O)c1ccc2c(c1)NC(=O)CO2 2325867832 GWHYTMLJONVMDU-UHFFFAOYSA-N 359.426 1.786 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC[C@](CO)(c3ccccc3)C2)C1 2325889516 URZVBSPZMCRHKH-UWJYYQICSA-N 356.466 1.964 0 50 FDAA O=S(=O)(NCC1CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1350843 YTBVKKSQJXLWQM-UHFFFAOYSA-N 358.485 1.550 0 50 FDAA COc1ccc(Cl)cc1S(=O)(=O)N(C)[C@@H]1C[C@@H]2CNC(=O)C[C@@H]2C1 2356153739 SLSIQBOPBBGPAD-LOWVWBTDSA-N 372.874 1.884 0 50 FDAA COc1ccc(-c2ccnc3c2c(=O)[nH]c(=O)n3C[C@H]2CCCO2)cc1 10157281 CAGACIVPCTZAGK-CQSZACIVSA-N 353.378 1.939 0 50 FDAA CCc1ccc(S(=O)(=O)N2CCN(C)[C@]3(CCNC(=O)CC3)C2)s1 107418243 SUDBYHGRZPCDRU-MRXNPFEDSA-N 371.528 1.286 0 50 FDAA O=C(C[C@@H]1SC(=O)N(CN2CCOCC2)C1=O)NCc1ccccc1 22242073 RTSUJSMDCWWMSP-AWEZNQCLSA-N 363.439 1.047 0 50 FDAA CC(C)[C@H](O)C(=O)NCc1cccnc1N1CCN(c2ccccn2)CC1 67851231 SETGGCZCTGCHNF-SFHVURJKSA-N 369.469 1.436 0 50 FDAA CCN(CC)Cc1cnc2c(C(=O)N3CCCC[C@@H]3CCO)cnn2c1 67878087 NRMZOMVHYJWOQQ-MRXNPFEDSA-N 359.474 1.948 0 50 FDAA COC[C@H](O)CNC(=O)c1cc(COc2ccc3c(c2)CCCC3)on1 67587277 HJEPZJDPCNXGGN-OAHLLOKOSA-N 360.410 1.870 0 50 FDAA CCOC(=O)N1CCN(Cc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 23281389 KUOQPKJOTIHXAW-UHFFFAOYSA-N 358.442 1.759 0 50 FDAA Cc1ccc(C2(O)CCN(C(=O)c3cccc(-n4cnnc4)n3)CC2)nc1 67847524 JJFKDGNIQVENAO-UHFFFAOYSA-N 364.409 1.490 0 50 FDAA O=C(NN1CCOCC1)/C(=C/c1ccccc1F)NC(=O)c1ccccc1 34864214 XVOHMOAAHORKNM-JXAWBTAJSA-N 369.396 1.960 0 50 FDAA Nc1nnc(SCC(=O)N2CCC[C@@H](C(=O)c3ccccn3)C2)s1 215707287 TZZIRKFTCBHCEQ-SNVBAGLBSA-N 363.468 1.729 0 50 FDAA CN(C)c1nccnc1N1CCC2(CC1)C[C@H](C(=O)O)N(C(=O)C1CC1)C2 72421710 GCZORIYIVQRNMU-CQSZACIVSA-N 373.457 1.225 0 50 FDAA Cc1ncc(CN2CCN(Cc3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cn1 72407690 FEQXTZQMZCBAIL-MOPGFXCFSA-N 372.494 1.268 0 50 FDAA CCN(CC)Cc1cnc2c(C(=O)N3CCN4CCC[C@@H]4C3)cnn2c1 71278548 TUVALERLKACOBH-MRXNPFEDSA-N 356.474 1.491 0 50 FDAA O=C(NCc1ccccn1)[C@H]1CCCN(C2CCN(CCCO)CC2)C1 71775545 FIKPXHIMZCAXJY-KRWDZBQOSA-N 360.502 1.257 0 50 FDAA CC(C)n1nccc1C(=O)N1CCOC[C@@H]1c1ncn(CC(F)(F)F)n1 329046275 JNLDNDVRHPSTIS-GFCCVEGCSA-N 372.351 1.832 0 50 FDAA CN(c1ccccc1C(=O)O)S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 480212341 GWFFRGVSWQMLRL-LLVKDONJSA-N 351.384 1.368 0 50 FDAA COCCN1CC[C@H](NC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 363549437 PLQNLDTUBVMLJE-UXHICEINSA-N 374.529 1.919 0 50 FDAA CN(CC(=O)N1CCN(C2CC2)c2ccccc21)[C@H]1CCS(=O)(=O)C1 333090460 ZJVIZLZLWJPWEZ-HNNXBMFYSA-N 363.483 1.121 0 50 FDAA CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1cn(C)c(=O)[nH]c1=O 219315545 NORMBIVTXSUAPA-UHFFFAOYSA-N 369.381 1.094 0 50 FDAA Cc1ccc(C(=O)N2CCN(CC3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1O 77519365 UAZVIUDMPYQRKF-CVEARBPZSA-N 364.467 1.034 0 50 FDAA CCc1nc(=O)c(CC(=O)NCc2ccccc2-n2cncn2)c(C)[nH]1 216308927 CISMAUHORLNESL-UHFFFAOYSA-N 352.398 1.080 0 50 FDAA C[C@@H]1CN(C(=O)Nc2cnc(N3CCNCC3)nc2)Cc2ccccc2O1 333361861 SXWFOHAYNPTHCD-CQSZACIVSA-N 368.441 1.701 0 50 FDAA CC(C)Cn1c(CN2CCN[C@@H](C(=O)NC3CC3)C2)nc2ccccc21 72170497 XLVCSXGDJRDALA-QGZVFWFLSA-N 355.486 1.745 0 50 FDAA C[C@@]1(NC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)CCCC[C@@H]1C(=O)O 262717402 DAWYEHPLNSDTPT-BFUOFWGJSA-N 370.409 1.735 0 50 FDAA Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1n[nH]c2c1CCC2 219589526 HGQRHSWSXYNPBG-HZPDHXFCSA-N 360.414 1.607 0 50 FDAA CC[C@@H](C(=O)N1CCN(C(=O)c2ccccc2OC)CC1)N1CCCC1 77504868 IJXZQWVXNLTGFC-KRWDZBQOSA-N 359.470 1.854 0 50 FDAA O=C([C@H]1COCCN1C1CCCC1)N1CCN(Cc2ccncc2)CC1 370452185 GUWAYLPTTMLYEA-LJQANCHMSA-N 358.486 1.369 0 50 FDAA CC(C)(C)C(=O)N1CCc2cc(S(=O)(=O)N[C@H]3CCOC3)ccc2C1 77356816 DWOLJTYEIJTZHJ-HNNXBMFYSA-N 366.483 1.685 0 50 FDAA CC(C)CCN1CC2(CCN(C(=O)[C@H](NC(N)=O)C(C)C)CC2)OC1=O 77540515 MMYFYZCEIJKUJO-CQSZACIVSA-N 368.478 1.539 0 50 FDAA Cn1ccc2cccc(NC(=O)C(=O)N3CCC[C@H](c4nc[nH]n4)C3)c21 375510605 YPAVDLALDXHINX-ZDUSSCGKSA-N 352.398 1.641 0 50 FDAA Cc1ccc(CS(=O)(=O)N[C@H]2CCO[C@@H]2c2ccnn2C)cc1F 285017851 MGPIUHVDYDRXSL-HOCLYGCPSA-N 353.419 1.817 0 50 FDAA CNS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)O)o1 263016773 STIKGSIMVPQKHD-LLVKDONJSA-N 366.395 1.303 0 50 FDAA CN(C[C@H]1CCCN(c2ccc3nnc(C(F)F)n3n2)C1)S(C)(=O)=O 286588130 NVGPGZRDJNDLPZ-SNVBAGLBSA-N 374.417 1.170 0 50 FDAA C[C@@H]1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)c1ccc(=O)n(C)n1 82157739 XIZDDSCVBSECRG-LLVKDONJSA-N 360.801 1.311 0 50 FDAA COCCN1C[C@H](NC(=O)c2csc(-c3cccs3)n2)CC1=O 82114355 JTDWERMKZQHBKQ-SNVBAGLBSA-N 351.453 1.849 0 50 FDAA O=C1NC(=O)[C@]2(CCCN(C(=O)c3ccc4c(c3)CCCCC4=O)C2)N1 290779860 CEBVGHIMHZZTMJ-LJQANCHMSA-N 355.394 1.410 0 50 FDAA Cn1cc(CC(=O)N2CCCn3nc([C@H](O)CO)cc3C2)c2ccccc21 221218572 IDDNTZQOACHGCR-LJQANCHMSA-N 368.437 1.376 0 50 FDAA O=C(NC1(C(=O)NCC2CC2)CCCC1)c1ccnc(-n2cncn2)c1 177412112 ZXPVPGFXCDTCBB-UHFFFAOYSA-N 354.414 1.231 0 50 FDAA COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C(F)(F)C2)cc1F 289725445 NINVWSXYBSTGAC-VIFPVBQESA-N 353.318 1.565 0 50 FDAA CC[C@]1(O)C(=O)N(c2cccc(C(=O)N3CCC[C@](C)(O)C3)c2)N=C1C 220518825 VGXWTSPLCXVNGS-RBUKOAKNSA-N 359.426 1.537 0 50 FDAA O=C(CCn1cncn1)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 223731001 HRCCWPUWHQMSSB-KJXMEXGPSA-N 351.410 1.845 0 50 FDAA Cc1noc(C)c1S(=O)(=O)N[C@@H]1CCOC[C@H]1Oc1ccccn1 223029446 AJEIEPZVYHVABW-CHWSQXEVSA-N 353.400 1.201 0 50 FDAA CNc1cc(C)nc(N[C@H]2C[C@@H](c3cc(N4CC[C@@H](O)C4)ncn3)C2)n1 220020919 YPIDZKQEKJPNFG-MGPQQGTHSA-N 355.446 1.546 0 50 FDAA COc1nccnc1-c1ccc(C(=O)N2CCC3(CC2)CNC(=O)O3)cc1 426420557 ILJVHYKWHGDOCV-UHFFFAOYSA-N 368.393 1.867 0 50 FDAA CN(C)C(=O)N1CCn2nc(CNC(=O)c3ccc4cc[nH]c4c3)cc2C1 82097927 KHBYOIJHJXOQKU-UHFFFAOYSA-N 366.425 1.792 0 50 FDAA CN(C)C1(CNC(=O)c2nc3ccc(Cl)cn3c2F)CCOCC1 426381776 SKUGNVCSWIWCCV-UHFFFAOYSA-N 354.813 1.967 0 50 FDAA O=C(NCc1ccccc1-n1ccnc1)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 426517804 GXWRIGGUXQOVMZ-YJEJQGFLSA-N 356.426 1.146 0 50 FDAA COCCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl 20539384 OKBKOGSYCQMGNF-OAHLLOKOSA-N 371.840 1.322 0 50 FDAA COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3ncn[nH]3)C2)c1 95523449 QRVXUHVXTFWZGA-AWEZNQCLSA-N 371.441 1.762 0 50 FDAA O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC(c2nnc3n2CCCCC3)CC1 92038619 KHVNAHYNPKKSRT-OAHLLOKOSA-N 371.485 1.721 0 50 FDAA COc1ccc2c(c1)OC[C@H](C(=O)N1CCCN(c3ncccn3)CC1)C2 95529965 AJOQUIITZQJYLY-MRXNPFEDSA-N 368.437 1.775 0 50 FDAA O=C1CCCN1Cc1nc(Cn2cncn2)nn1-c1cccc2c1CCC2 96139967 FXTZGAAQBUFINA-UHFFFAOYSA-N 363.425 1.518 0 50 FDAA CCCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2[nH]nc(O)c2CC1 91876459 OBOWHGREIYKVCM-KGLIPLIRSA-N 362.474 1.765 0 50 FDAA C[C@@H](NC(=O)c1cnc(COc2ccc(C(C)(C)C)cc2)nc1O)C(N)=O 91468355 UIJXGVFFEXHKBH-LLVKDONJSA-N 372.425 1.662 0 50 FDAA NS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc3nsnc3c2)c1 95366107 UKQYCXUTEHGHRG-UHFFFAOYSA-N 366.399 1.408 0 50 FDAA CCN1CCN(C[C@H](O)COc2cccc(CN(C)CC3CC3)c2)CC1 95507362 WCMSBKOYJMVXRU-FQEVSTJZSA-N 361.530 1.906 0 50 FDAA Cc1ocnc1C(=O)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 95527582 XWURLMIPRMNDSJ-LJQANCHMSA-N 371.441 1.794 0 50 FDAA CNc1cc(C(=O)N2CCC3(CC2)CC(=O)N(CCCOC)C3)ccn1 95362123 PZGSHEBZRORGCI-UHFFFAOYSA-N 360.458 1.615 0 50 FDAA O=C(NCc1nc(Cc2cccs2)no1)[C@H]1CCCCn2nnnc21 97334259 NARKVQBYWGQXBV-NSHDSACASA-N 359.415 1.292 0 50 FDAA COCC(=O)N1CCCN(C(=O)[C@@H](c2ccccc2F)N(C)C)CC1 91846352 UOCPWZMRGLSWCY-QGZVFWFLSA-N 351.422 1.136 0 50 FDAA O=C(NC[C@H](O)c1ccco1)Nc1ccc(C(=O)N2CCOCC2)cc1 95531252 PVXIFMDAJYVNDP-HNNXBMFYSA-N 359.382 1.607 0 50 FDAA CC(C)c1noc([C@@H]2CCCN(C(=O)Cn3ncn4cccc4c3=O)C2)n1 95501666 FSCWQVXXWMXNCV-CYBMUJFWSA-N 370.413 1.409 0 50 FDAA COc1cncc([C@@H](NC(=O)C2CCN(C(C)=O)CC2)[C@H]2C[C@@H](O)C2)c1 244874785 XHIAAFDDGARKEI-LESCRADOSA-N 361.442 1.277 0 50 FDAA CC[C@@H]1CCCCN1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 244858564 VNLRONMWMLTVSW-DLBZAZTESA-N 373.563 1.819 0 50 FDAA CNc1ncnc2c1cnn2CC(=O)Nc1ccc(C(=O)N(C)C)cc1 181838800 VZHHAJFMWXDMHE-UHFFFAOYSA-N 353.386 1.209 0 50 FDAA COC(=O)[C@@H]1[C@@H]2C(=O)N3[C@H](c4ccco4)[C@H](C)C(=O)[C@H](C)[C@H]3[C@]23C=C[C@H]1O3 252695111 VEGDJTLZYKPHPF-MDUXRADTSA-N 371.389 1.499 0 50 FDAA biogenic CCn1ncnc1[C@H](C)NC(=O)N1CCN(CCc2ccccc2)C(=O)C1 534640051 NLLGUDGOANDKIN-HNNXBMFYSA-N 370.457 1.456 0 50 FDAA Cc1nc([C@@H]2CCCN(C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)C2)no1 299794547 KJCBCPQILXRMQE-GFCCVEGCSA-N 370.413 1.980 0 50 FDAA Cc1ccc(-c2noc(CNC(=O)[C@H]3CCCCn4nnnc43)n2)cc1 299760174 HQAUMHQCBXTDNA-ZDUSSCGKSA-N 353.386 1.615 0 50 FDAA COc1cccc2c1OC[C@@H](NS(=O)(=O)c1ccsc1C(=O)O)C2 645963658 BSTYIRYRJJHECD-JTQLQIEISA-N 369.420 1.737 0 50 FDAA Cn1cccc1-c1cc(C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)n[nH]1 828211519 LRVWMQLNSCYUOO-QGZVFWFLSA-N 368.441 1.735 0 50 FDAA O=C(O)c1cncc(N2CCC3(CC2)CN(C(=O)c2ccoc2)CCO3)n1 952980696 XNEOAFJIVSLRFJ-UHFFFAOYSA-N 372.381 1.279 0 50 FDAA O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCO[C@@H](CO)C1 269154267 UDCXAWYEPSJZNG-GFCCVEGCSA-N 366.215 1.673 0 50 FDAA C[C@@H]1CN(S(=O)(=O)N2C[C@H](CO)[C@H](c3ccsc3)C2)C[C@@H](C)O1 188881457 LFVFFWYZZKWHPS-GBOPCIDUSA-N 360.501 1.110 0 50 FDAA NC(=O)c1cnn2c1C[C@H](CN[C@H](C(=O)NC1CC1)c1ccccc1)CC2 275620926 RQENCCZXOTYALQ-ACJLOTCBSA-N 367.453 1.154 0 50 FDAA CN(C)c1noc(CNC(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)n1 170600042 HRKPIKCGVXJFHG-UHFFFAOYSA-N 372.385 1.106 0 50 FDAA C=CC(=O)N(CC)CC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 909369564 DMDIIYRYDNZGBZ-AWEZNQCLSA-N 369.462 1.163 0 50 FDAA CN(C)C(=O)c1cccc(S(=O)(=O)NC(=O)c2ccc3c(c2)CCC3)c1 734974561 NUXNWLNEULZQNQ-UHFFFAOYSA-N 372.446 1.996 0 50 FDAA O=C(O)[C@H]1CCCN(S(=O)(=O)N2CCOc3ccc(Cl)cc3C2)C1 1506430397 ZZBPCNIDGWXDQS-NSHDSACASA-N 374.846 1.576 0 50 FDAA Cn1c(CO)nnc1[C@@H]1CCCN(C(=O)/C=C/c2cc(CO)cs2)C1 1506405683 BRJCLDZEEZCTDA-MUBLQREKSA-N 362.455 1.281 0 50 FDAA O=C1[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccccc1I 222253167 AGMFLMVSSRHZDV-WYUUTHIRSA-N 367.142 1.734 0 50 FDAA Cc1ccc(S(=O)(=O)NCCCNc2nnc(C(C)(C)N)o2)cc1 1772814684 NQGVDZLYACBEPG-UHFFFAOYSA-N 353.448 1.352 0 50 FDAA O=C(NCc1cnn(-c2cccc(F)c2)c1)c1cc(N2CCOCC2)no1 1772813809 VQBZLHCSFPTZMG-UHFFFAOYSA-N 371.372 1.766 0 50 FDAA Cc1nonc1CC(=O)N1CCC[C@@H](C(=O)c2ccc3c(c2)OCO3)C1 12005342 UABJCHKGHBJGAP-CYBMUJFWSA-N 357.366 1.771 0 50 FDAA CC(C)N1CCNC(=O)[C@H]1CC(=O)N1CCN(c2ccc(F)cc2)CC1 12304517 AHYUAIPXLJAXGL-QGZVFWFLSA-N 362.449 1.073 0 50 FDAA COCCCn1c(-c2ccccc2)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 13816105 XONBYXPUPUZTRC-UHFFFAOYSA-N 353.382 1.380 0 50 FDAA COC(=O)c1ccc(N2C[C@H]3[C@@H](C2)OC(=O)N3Cc2ccccn2)nc1 19740722 RGXMDQJICJHAQJ-LSDHHAIUSA-N 354.366 1.473 0 50 FDAA O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)NCCc1ccccn1 169772656 XKQYMGAJILBQGH-MRXNPFEDSA-N 352.394 1.271 0 50 FDAA Cc1nn(C)c2c1[C@@H](NC(=O)c1ccc(Cn3cnnn3)cc1)CCC2 1857675809 FLSCAZDJKCJRCE-HNNXBMFYSA-N 351.414 1.571 0 50 FDAA Cc1nc(C)c(-c2nnc3n2C[C@]2(CCN(Cc4nccn4C)C2)OC3)o1 1857684111 ZLYFFLZGBVQLOK-GOSISDBHSA-N 369.429 1.458 0 50 FDAA CCCc1nnc(N2C[C@@H](C(=O)NCc3cn(CC)cn3)CC2=O)s1 1857722527 XKJOOSWWRLVYAC-NSHDSACASA-N 362.459 1.376 0 50 FDAA Cn1c(=O)c(CN2CCC3(CC2)CNC(=O)CCO3)cc2ccccc21 1857741319 NLLGJTCDCKXFLL-UHFFFAOYSA-N 355.438 1.410 0 50 FDAA Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 16839896 PRJILXHBQPYPQS-UHFFFAOYSA-N 361.423 1.663 0 50 FDAA CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2COC(=O)O2)cc1 1875290598 RTRSWSQIHAZIIC-HNNXBMFYSA-N 358.350 1.703 0 50 FDAA O=S(=O)(c1ccc2nc(O)[nH]c2c1)N1CCN(c2cccnc2)CC1 1875327339 WAGPDPXHTGQBBK-UHFFFAOYSA-N 359.411 1.174 0 50 FDAA COC(=O)/C=C/C(=O)N1C[C@@H]2COCC[C@@]2(CNC(=O)c2ccccc2)C1 1875378927 IUQDEFKRCHTQBW-APJIANLZSA-N 372.421 1.011 0 50 FDAA Cn1nncc1C(=O)N1C[C@H]2C[C@@H](NC(=O)[C@@H]3CCC3(C)C)CC[C@H]2C1 1875406667 JLCINJJKEQXXKB-XGUBFFRZSA-N 359.474 1.608 0 50 FDAA O=C(N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O)c1cnc(C2CC2)nc1 1875402302 FDRRNONHAUFFOJ-COLVAYQJSA-N 361.833 1.773 0 50 FDAA Cn1nnnc1N1CCC2(CCC2)[C@H](CNC(=O)[C@@H]2C[C@@H]3CCC[C@H]32)C1 1875405180 WWUHXVWUAJXGIY-ZJIFWQFVSA-N 358.490 1.759 0 50 FDAA CN1Cc2cc(C(=O)N[C@@H]3C[C@H](Cn4ccnc4)C[C@H]3O)ccc2NC1=O 1875402208 BXVZTCGLMPJMGU-JCURWCKSSA-N 369.425 1.430 0 50 FDAA CO[C@@H]1CN(C(=O)c2ocnc2-c2ccccc2)C[C@H]1c1cn(C)nn1 886078255 SAQMHTRLUKLLJR-DZGCQCFKSA-N 353.382 1.725 0 50 FDAA CCCC[C@H](CC)CC(=O)NS(=O)(=O)c1cc(C(=O)C(N)=O)n(C)c1 888096707 JJLQTBLDLGREAC-NSHDSACASA-N 371.459 1.105 0 50 FDAA COCCCN1C[C@H]2CN(C(=O)NC3CCCCC3)C[C@@]2(C(=O)O)C1 1073371082 PCCYASAKTPESHR-KSSFIOAISA-N 353.463 1.384 0 50 FDAA CCOC(=O)CN1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc2c1NCCC2 2100473751 XKRGYLGGUKLOLZ-IRXDYDNUSA-N 357.454 1.897 0 50 FDAA O=C(CNC(=O)c1cnn([C@H]2CCCNC2)c1)Nc1ccc2c[nH]nc2c1 2325754757 IDTNLFPDPLPZMO-HNNXBMFYSA-N 367.413 1.052 0 50 FDAA O=C(O)[C@H]1CCC[C@H](NC(=O)N2CCn3ncc(Br)c3C2)C1 2325778404 YFUIATBNODFSQS-UWVGGRQHSA-N 371.235 1.814 0 50 FDAA N[C@H](Cc1n[nH]c2ccccc12)C(=O)N1CCN(Cc2cccs2)CC1 2325780074 FNDZYVMYDSISJQ-MRXNPFEDSA-N 369.494 1.839 0 50 FDAA CC(C)CC(CC(C)C)C(=O)N[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C 2325794311 YBUUUUAAIMCWIE-GDBMZVCRSA-N 374.547 1.703 0 50 FDAA CN(C)C(=O)CNC(=O)N[C@@H]1CCc2nc(-c3ccccc3)ncc2C1 891577913 UQZPQQUZUWWDLY-OAHLLOKOSA-N 353.426 1.388 0 50 FDAA CN(C)c1ccc(-c2ccnc(N3C[C@@H]4[C@H](CO)C[C@H](CO)[C@@H]4C3)n2)cc1 2356151737 XEPAVZJQSSEDJF-XHVUQVIVSA-N 368.481 1.883 0 50 FDAA CC(C)CN1CC[C@H](CNC(=O)c2ccc(N3CCC(O)CC3)nc2)C1 20200955 GDQUADRQHLJDAY-MRXNPFEDSA-N 360.502 1.750 0 50 FDAA O=c1cc(CN2CCc3onc(-c4ccccc4F)c3C2)[nH]c2ncnn12 102793809 YTUADVVFLOJFFT-UHFFFAOYSA-N 366.356 1.770 0 50 FDAA COC(=O)/C=C1/N=C(Nc2nc(C)cc(C)n2)N(c2ccccc2)C1=O 100282139 PHGNDLWFBPEKOC-GXDHUFHOSA-N 351.366 1.965 0 50 FDAA CCN1CCN(C(=O)c2cc(COc3cccc(OC)c3)[nH]n2)[C@@H](C)C1=O 67603763 CNFUKJFHRIANKR-ZDUSSCGKSA-N 372.425 1.690 0 50 FDAA CCC/C=C/CN1CCN(C)C2(CCN(C(=O)N3CCOCC3)CC2)C1 67712659 STWGDIHRMFBOBS-AATRIKPKSA-N 364.534 1.877 0 50 FDAA CCN1CCN(C[C@@]2(O)CCCN(CCC3CCCCC3)C2=O)CC1=O 67805208 JVHUUTXWCRUMJE-FQEVSTJZSA-N 365.518 1.474 0 50 FDAA CCN(CC)Cc1cnc2c(C(=O)N(C)Cc3nccn3C)cnn2c1 67947599 IDCBJQPQIZGKPW-UHFFFAOYSA-N 355.446 1.577 0 50 FDAA COC[C@H]1[C@@H](NC(=O)Cn2c(C)cc(=O)c3ccccc32)[C@H]2CCO[C@H]21 1074602312 JFJCSSYUFPLWRA-VVVONTASSA-N 356.422 1.476 0 50 FDAA Cc1c(Cl)c(C(F)F)nn1[C@@H](C)C(=O)Nc1cnn(C)c1C(N)=O 2778175 VLAXEESPFWDQSY-LURJTMIESA-N 360.752 1.815 0 50 FDAA CCOC(=O)CCCC[C@@H]1SC[C@@H](NC(=O)OC)[C@H]1NC(=O)OC 3898615 GKCWBSANFAZKKX-NTZNESFSSA-N 362.448 1.675 0 50 FDAA biogenic CCN1CCCC[C@@H]1C(=O)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1 328635943 VEHUGFDVXADLSJ-MSOLQXFVSA-N 373.501 1.851 0 50 FDAA CN(Cc1cc(O)nc(N)n1)[C@H]1CCN(C(=O)c2coc3ccccc23)C1 328635050 NCVNRVMSBHMYMM-ZDUSSCGKSA-N 367.409 1.857 0 50 FDAA CCN1C(=O)NC(=O)C12CCN(Cc1cc(F)ccc1-n1cccn1)CC2 72429773 UKSMAKDELZGCPR-UHFFFAOYSA-N 371.416 1.918 0 50 FDAA CO[C@]1(CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)CCOC1 253370289 OTLRXNGAHJEHDA-HFTRVMKXSA-N 366.845 1.781 0 50 FDAA O=C(O)CCc1cc2n(n1)CCCN(C(=O)c1cc3c([nH]c1=O)CCC3)C2 72432937 RIVBPDLRLQZQRH-UHFFFAOYSA-N 370.409 1.123 0 50 FDAA CN1CCC(CNc2ncc(S(C)(=O)=O)c([C@@H]3CCCNC3)n2)CC1 72410528 LBPBLKTVVVCRJV-CQSZACIVSA-N 367.519 1.101 0 50 FDAA Cc1cc(CNc2ncc(S(C)(=O)=O)c([C@@H]3CCCNC3)n2)no1 72432384 XUTOFXFHPFQFOQ-LLVKDONJSA-N 351.432 1.256 0 50 FDAA OC1CCN([C@@H]2CCN(Cc3ccccc3Cn3cccn3)C[C@H]2O)CC1 12592310 PJBZWXRZIUDJTI-NHCUHLMSSA-N 370.497 1.323 0 50 FDAA O=C(O)c1ccc(O[C@@H]2COCC[C@H]2NC(=O)c2ccc(O)cn2)cc1 219552449 VGPAPYZCDKZDBD-GDBMZVCRSA-N 358.350 1.452 0 50 FDAA O=C(CCOc1ccccc1)N1CCN(c2ccnc3nncn23)CC1 216407920 QTPKNBKLJCARMH-UHFFFAOYSA-N 352.398 1.242 0 50 FDAA CNC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)c1 363493143 MENWSMGWFMKRHZ-IAGOWNOFSA-N 360.458 1.811 0 50 FDAA O=C(c1ccc2[nH]ccc2c1)N1CCc2c(ncnc2N2CCOCC2)C1 77390906 MMWOLFKKUYMAEE-UHFFFAOYSA-N 363.421 1.993 0 50 FDAA CCc1ncc(C(=O)N[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cn1 72165181 GUGWJQWMINWGEQ-MRXNPFEDSA-N 356.401 1.752 0 50 FDAA Cc1cnc([C@@H](C)NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)o1 332830046 PNDUGGZOXOYGJY-OLZOCXBDSA-N 371.393 1.985 0 50 FDAA Cc1ccc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCCn3ccnc3)C2)nn1 72448017 QMGHKQRPDCENNC-DLBZAZTESA-N 354.458 1.889 0 50 FDAA CC(=O)N1CCc2c(nc(N(C)C)nc2NCc2cnn(C(C)C)c2)C1 71662990 SIEAPSIRBVWYTG-UHFFFAOYSA-N 357.462 1.837 0 50 FDAA CN(C[C@H]1Cc2ccccc2O1)c1ccnc(C(=O)N2CCOCC2)c1 72133372 SBNRQFVNKRZAEC-QGZVFWFLSA-N 353.422 1.994 0 50 FDAA C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CC3(CCCOC3)C2)C1=O 368368934 FMXLQAUBELKQPG-GOSISDBHSA-N 357.410 1.093 0 50 FDAA CC(C)C[C@H](NC(=O)C(=O)N1CCc2ccccc2C1)c1ncnn1C 71761023 TZEZQSSPLLFAFN-INIZCTEOSA-N 355.442 1.603 0 50 FDAA COCc1noc([C@@H](C)N2CCc3ccc(S(C)(=O)=O)cc3CC2)n1 374810436 LHHBIIKONNCGIW-GFCCVEGCSA-N 365.455 1.781 0 50 FDAA Cc1cc(C)n(CCCNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)n1 47614952 OPXPXZHXCYMXTB-MRXNPFEDSA-N 355.442 1.450 0 50 FDAA Cc1cc(N2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)ccn1 72478869 JZCQDCOJRCVZRP-INIZCTEOSA-N 356.474 1.735 0 50 FDAA Cc1ccc(S(=O)(=O)N[C@H](c2cnn(C)c2)C2CC(O)C2)c(F)c1 223159896 WPDHBVKFAGFNRG-TZDAIYRESA-N 353.419 1.658 0 50 FDAA Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCC1CCN(c2ccncc2)CC1 285580915 WJFHQGXNZKNVOY-QZTJIDSGSA-N 369.469 1.926 0 50 FDAA CN(C[C@H]1CCCN(C(=O)[C@H]2CCOc3ccccc32)C1)S(C)(=O)=O 286404370 RKQDBYQYCHUTMJ-ZBFHGGJFSA-N 366.483 1.683 0 50 FDAA CN(C)C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1ccc3c(c1)CCO3)C2 223531238 GUWRMBQTDUYSPD-QGZVFWFLSA-N 356.426 1.069 0 50 FDAA C[C@H](NCC1=CCCOC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 286957065 HTDFYNZOKGFJDN-HNNXBMFYSA-N 366.483 1.705 0 50 FDAA COCCn1cnnc1[C@H](C)NC(=O)Nc1cccc(N2CCOC2=O)c1 426360127 STQATPIVHSCIJT-LBPRGKRZSA-N 374.401 1.764 0 50 FDAA C[C@H](NC(=O)N1CCC(c2nnc3n2CCCCC3)CC1)c1nncn1C 426358180 DFDUILSLVVXXFS-ZDUSSCGKSA-N 372.477 1.783 0 50 FDAA O=C(NCc1ccc(N2CCCC2=O)cc1)N1CCN2C(=O)OC[C@H]2C1 426674318 QMTRPSGCEAVCEF-OAHLLOKOSA-N 358.398 1.159 0 50 FDAA COc1ccc(NC(=O)NCCCN2CCN(C)CC2)cc1NC(C)=O 96151257 ZXVSGOBZIZOHMZ-UHFFFAOYSA-N 363.462 1.413 0 50 FDAA COCc1noc(C[C@@H]2CN(C(=O)C3CCN(C(C)C)CC3)CCO2)n1 95529302 NRMYABSIMWDCEL-OAHLLOKOSA-N 366.462 1.106 0 50 FDAA CN1CCC(N2CCN([C@@H](C(=O)O)c3cccc4c3OCC4)CC2)CC1 95385429 VGNQANVOJZONJU-GOSISDBHSA-N 359.470 1.459 0 50 FDAA Cc1ccc(N2CCCC2=O)cc1NC(=O)NC[C@@H]1CCS(=O)(=O)C1 96151850 KENPKTGHQTZNDI-ZDUSSCGKSA-N 365.455 1.678 0 50 FDAA CN(CC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)C1CCC1)C2)Cc1cccnc1 91636407 GZJVDNFFCAXOSJ-PKOBYXMFSA-N 370.497 1.763 0 50 FDAA O=S1(=O)C[C@@H]2[C@H](C1)N(CCCn1ccnc1)CCN2Cc1ccccc1 95507635 STJJZZFZWUMCTL-RBUKOAKNSA-N 374.510 1.257 0 50 FDAA Cn1c(N2CCOCC2)nc2cc(C(=O)N3[C@H]4CC[C@@H]3CCNC4)ccc21 95360167 PZFVPYUXMGVWMU-CVEARBPZSA-N 369.469 1.376 0 50 FDAA C[C@@H]1CN(c2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)CCCO1 96133465 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UGRRWEMUDHOXEJ-CYBMUJFWSA-N 360.380 1.834 0 50 FDAA O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)[C@H]1C[C@H](O)CN1 299753687 YZDDJAVEENHITM-IJEWVQPXSA-N 355.841 1.283 0 50 FDAA O=C(CC[C@H]1N=C(O)N(c2ccccc2)C1=O)NCCNc1ncccn1 252484516 FYNNEESNUQYCFD-CQSZACIVSA-N 368.397 1.114 0 50 FDAA O=C(O)[C@@H]1COCCN1C(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1 299748622 HSCQUKNSZWGGBS-NSHDSACASA-N 358.272 1.992 0 50 FDAA Cc1nn(C(C)C)c(C)c1CNC(=O)N1CCN(Cc2nccn2C)CC1 534634181 UCUUTWQMRWGSPC-UHFFFAOYSA-N 373.505 1.842 0 50 FDAA COc1cc2c(cc1CNC(=O)c1cc(CC(C)C)nc(N)n1)OCCO2 299756616 FTLWDYNMAFOOLI-UHFFFAOYSA-N 372.425 1.967 0 50 FDAA O=C(CCN1CCCCCC1=O)N[C@H]1CCCN(Cc2cccnc2)C1 299789616 YSOHOLCFKSTOCU-SFHVURJKSA-N 358.486 1.955 0 50 FDAA CN(C)c1ccc(Cl)cc1NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 484564143 MHXBUHXGDNDURV-LBPRGKRZSA-N 359.879 1.463 0 50 FDAA Cc1nonc1CC(=O)N1CCOC2(CCN(C(=O)c3ccco3)CC2)C1 827969719 NZIFNHXGGBQNCL-UHFFFAOYSA-N 374.397 1.047 0 50 FDAA CCN1Cc2nc(OC)c(Cn3cnc4cnccc4c3=O)cc2C1=O 584903528 CGWQOMNKLOKFRY-UHFFFAOYSA-N 351.366 1.219 0 50 FDAA Cc1nn(CCC(=O)N2C[C@@H]3CC[C@H]2CN(S(C)(=O)=O)C3)c(C)c1C 1565507415 NJYTZSNBUTZAFN-CVEARBPZSA-N 368.503 1.081 0 50 FDAA COC[C@H]1CCCN(S(=O)(=O)N(C)Cc2ccc3nsnc3c2)C1 952971922 VWKZBUBQRRKAPY-ZDUSSCGKSA-N 370.500 1.726 0 50 FDAA Cc1ccc2nc([C@H](NC(=O)[C@H]3CCCN(CC(N)=O)C3)C(C)C)[nH]c2c1 952986189 YUMHHZZLCXSDSX-KBXCAEBGSA-N 371.485 1.882 0 50 FDAA O=C(O)[C@H]1COCCN1C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 268964763 BZQNJNUPVKYOCG-YYRQZUAOSA-N 353.758 1.436 0 50 FDAA Cc1cc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)nc2nc(O)nc(O)c12 270020586 VKPUWIKTQNONBL-ZWKOPEQDSA-N 356.382 1.432 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(CN3CCCCC3)cc2)CN1C 91548064 LLESXKPRVFHEAE-OALUTQOASA-N 372.513 1.611 0 50 FDAA Cc1ccc([C@H](C)NC(=O)N2CCS(=O)(=O)C[C@@H]2c2cnn(C)c2)o1 189972770 NVZZEGATICOZBK-GXTWGEPZSA-N 366.443 1.564 0 50 FDAA COc1ccc(-n2cccn2)c(CN2CC[C@H](N3CCOCC3)[C@@H](O)C2)c1 1615636888 WKRNMRXBRZGNIL-PMACEKPBSA-N 372.469 1.148 0 50 FDAA CN1CCc2[nH]nc(C(=O)N3CCC[C@H](C(=O)c4ccccn4)C3)c2C1 1506420432 GFNOARAHWASORX-ZDUSSCGKSA-N 353.426 1.528 0 50 FDAA Cc1nc(N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c2ccsc2n1 1704311952 GTMATTRFLSILMS-JQWIXIFHSA-N 356.473 1.318 0 50 FDAA Cc1ccc(N2CN=c3s/c(=C\c4cccnc4)c(=O)n3C2)cc1C 1137857 KGSQDEINEJGLRN-MFOYZWKCSA-N 350.447 1.805 0 50 FDAA CCOC(=O)C(=Cc1[nH]c(C(=O)O)c(C)c1C(=O)OCC)C(=O)OCC 2155792 GMMBQYWDOSLNET-UHFFFAOYSA-N 367.354 1.708 0 50 FDAA Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCO3)cc2)n1 831815 ZRMYIFOHIPKDCE-AWEZNQCLSA-N 362.411 1.703 0 50 FDAA OC[C@H](O)C1CCN(c2cc(C(F)(F)F)nc(N3CCCC3)n2)CC1 1772811111 PWWVESOEJRCXNI-LBPRGKRZSA-N 360.380 1.665 0 50 FDAA Cn1cc(C(=O)N2CCCN(C(=O)CCc3ccncc3)CC2)ccc1=O 1772710660 NUPARPSYBGUYGH-UHFFFAOYSA-N 368.437 1.088 0 50 FDAA CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)C1 5510469 LKDFVMYESJUAAB-BBRMVZONSA-N 360.410 1.602 0 50 FDAA O=c1c2cnc3nc(-c4ccncc4)nn3c2ccn1CCc1c[nH]cn1 13685412 KOEJCUDKFSIEIK-UHFFFAOYSA-N 358.365 1.467 0 50 FDAA CCOc1ccc([C@@H]2[C@H](C(=O)OC)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC)cc1 3903525 WFEUSWMZEFNFQO-OAFZBRQQSA-N 364.394 1.471 0 50 FDAA COc1cc(CN2CCC(O)CC2)cc(I)c1O 4988543 DJNZPGRGQBAKBU-UHFFFAOYSA-N 363.195 1.962 0 50 FDAA CCCNS(=O)(=O)c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 2853608 TZGWKAQTTZVHGL-CQSZACIVSA-N 356.444 1.049 0 50 FDAA CNC(=O)Cc1nc([C@@H]2CCn3nccc3C2)n(CCc2ccccc2)n1 1857671055 NVLAKOJNTFFZHG-MRXNPFEDSA-N 364.453 1.736 0 50 FDAA O=C(C1CCOCC1)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857727800 ADNIKKGHZYHSHQ-QKLQHJQFSA-N 356.422 1.714 0 50 FDAA COCCn1nnc([C@H]2CN(Cc3[nH]c4ccc(C)cc4c3C)CCO2)n1 1875248067 YBTUKQSYCPLUNM-GOSISDBHSA-N 370.457 1.991 0 50 FDAA Cc1ccc(CCC(=O)N[C@@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)cc1 1875251307 WZUIIYXLGDIDAG-QYZOEREBSA-N 373.497 1.364 0 50 FDAA CS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 798129 RPGYIVRKFFRRSB-UHFFFAOYSA-N 351.472 1.007 0 50 FDAA CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)c1ccccn1)C(=O)O 2573513 WDBMDLPFTOIHQM-ZDUSSCGKSA-N 351.403 1.960 0 50 FDAA in-vitro CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 4813697 AKONJOLZMIETJB-CYBMUJFWSA-N 354.428 1.473 0 50 FDAA O=C(NCc1ccc2nonc2c1)[C@]12CNC[C@H]1CN(C1CCCC1)C2 247502877 QLOOUGWRGGDTIF-LIRRHRJNSA-N 355.442 1.303 0 50 FDAA COc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(C)=O)C3)c(OC)c1OC 247933589 KLTHFBXEUXHUHP-KGLIPLIRSA-N 362.426 1.795 0 50 FDAA CNC(=O)c1cc(S(=O)(=O)N[C@H]2CCOc3ccc(F)cc32)cn1C 264551927 DLHMJXJLOBWZTQ-ZDUSSCGKSA-N 367.402 1.326 0 50 FDAA CNC(=O)c1n[nH]c(C2CCN(C(=O)[C@@H](C)c3ccccc3F)CC2)n1 818479101 OYJIAMSFSIYWQJ-NSHDSACASA-N 359.405 1.813 0 50 FDAA CC1(C)[C@@H](NC(=O)c2nc(C3CC3)ncc2Br)CS1(=O)=O 823398940 RKLDKPJTGLYKPA-VIFPVBQESA-N 374.260 1.422 0 50 FDAA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cccc(C(N)=O)n1 854513348 NDGQOUUEEWXELO-RDTXWAMCSA-N 350.422 1.937 0 50 FDAA O=C(c1cccc2c1OCCO2)N1C[C@H]2C[C@@H](C1)N(c1ncccn1)C2 1875329599 FEBOJEQTWGNJJG-KGLIPLIRSA-N 352.394 1.599 0 50 FDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@H]3COCC3(C)C)C2)c1C 1875397535 DBBCBDNVODTUHG-CABCVRRESA-N 361.490 1.389 0 50 FDAA COc1cc2[nH]c(=NC3CC3)[nH]c(=NCC3CCN(C)CC3)c2cc1OC 1875376511 ZHXQXHZCTFJHMJ-UHFFFAOYSA-N 371.485 1.819 0 50 FDAA CN(C)C(=O)C[C@@H]1CN(c2nc(O)c3ccc(Cl)cc3n2)C[C@H]1O 1875398373 NJWZQIQCSPOQBD-NOZJJQNGSA-N 350.806 1.264 0 50 FDAA C=CC(=O)NC[C@@H]1CN(C(=O)[C@]2(C)OCCc3ccccc32)CCCO1 1875386384 OXQYUXYTIUISTR-OXQOHEQNSA-N 358.438 1.394 0 50 FDAA Cc1cc(F)c(CC(=O)NC[C@H]2C[C@@H](c3nc[nH]n3)C[C@H]2O)cc1F 886093441 QCFZBUOMMJUECM-LALPHHSUSA-N 350.369 1.605 0 50 FDAA CC(=O)NCc1cc(O[C@H]2CCN([C@H](C(N)=O)c3ccccc3)C2)ccn1 886068740 NBVPRMLACCMMPP-OALUTQOASA-N 368.437 1.397 0 50 FDAA Cn1cnnc1C[C@@]1(O)CCCN(c2ncncc2-c2ccccc2)C1 886065552 KQAYKYZFXYDOHB-IBGZPJMESA-N 350.426 1.846 0 50 FDAA Cc1ccc(C)c(OCCC(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)c1 888093756 QUVRQXSRMZXCCB-FUHWJXTLSA-N 359.426 1.768 0 50 FDAA CCOCCCC(=O)Nc1ccc(S(=O)(=O)NC2=NCCS2)cc1 888093242 OIBHYRSPEANLMF-UHFFFAOYSA-N 371.484 1.823 0 50 FDAA NC(=O)C[C@@H]1CN(c2ncnc3c2cnn3-c2ccccc2F)CCO1 894806965 CQLWYQDCCPRAAK-LLVKDONJSA-N 356.361 1.035 0 50 FDAA C=CC(=O)N(CC)CC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 900049275 MRKFMORHIPKMJV-UHFFFAOYSA-N 351.428 1.200 0 50 FDAA O=C(CCc1nc(Cl)n[nH]1)N1CCO[C@@H](CO)[C@@H]1c1ccccc1 2100537733 SMIMZIYXIPYCBZ-WFASDCNBSA-N 350.806 1.352 0 50 FDAA CS(=O)(=O)Nc1cc(O)c(C(=O)CNC=O)cc1Oc1ccccc1 39009037 BTXBRUSJXFSAJA-UHFFFAOYSA-N 364.379 1.485 0 50 FDAA C[C@]1(C(=O)NCc2cccc(C(=O)N3CCCC3)c2)CC(F)(F)CN1 2325790534 SDQAJGWBIAUCMV-QGZVFWFLSA-N 351.397 1.926 0 50 FDAA CCn1nc(C(=O)N[C@@]2(C)CCN([C@@H]3CCN(C)C3=O)C2)cc1C1CC1 2325794685 NDHZWFWXGPZLTB-BEFAXECRSA-N 359.474 1.205 0 50 FDAA NC(=O)[C@H](c1cccc(Br)c1)N1C[C@@H]2C[C@H]1CN2C1CC1 2325800591 WAMMNESDEPXNMM-KKUMJFAQSA-N 350.260 1.896 0 50 FDAA Cc1cc(F)ccc1C[C@H](CNC(=O)C[C@H]1CCCNC(=O)C1)C(=O)O 2325812902 QPUGDTMBDGTTPA-DZGCQCFKSA-N 364.417 1.800 0 50 FDAA CN(C)[C@H]1Cc2ccccc2N(C(=O)CCn2nc3ccccn3c2=O)C1 110311318 JTAIVMXRHKQFDP-INIZCTEOSA-N 365.437 1.406 0 50 FDAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 794619 VGHQPCFZJGPBEK-HZPDHXFCSA-N 360.410 1.989 0 50 FDAA O=C(CF)N[C@H](O)C(Br)(Br)Br 2039802 QFWQUVMXKWLKQA-GSVOUGTGSA-N 357.799 1.229 0 50 FDAA COc1ccccc1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 2857744 QMXRMEYUFZOKOG-AWEZNQCLSA-N 362.451 1.987 0 50 FDAA O=C(CCc1n[nH]c2c1CCCC2)N1CCc2nc(C3CC3)nn2CC1 2356137462 ZBTWHHOLHMKANL-UHFFFAOYSA-N 354.458 1.775 0 50 FDAA C/C(Cl)=C/Cn1c(SCCC(=O)O)nc2c1c(=O)[nH]c(=O)n2C 3902183 FZJWUVABOZTKCC-CLTKARDFSA-N 358.807 1.133 0 50 FDAA O=C(NC[C@H](O)c1cccc(O)n1)c1cnc(Nc2ccccc2)nc1 2356161128 HGNYDFMXETYYMR-HNNXBMFYSA-N 351.366 1.784 0 50 FDAA Cn1ncc2ncc(C(=O)N[C@H](c3ccccc3)c3n[nH]c(=N)s3)cc21 2356165804 OYYUIQPCOMMXHK-CQSZACIVSA-N 365.422 1.752 0 50 FDAA CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)Nc1cc2c(C)cc(=O)oc2cc1C 55393115 STJFLGKXCBFSSY-INIZCTEOSA-N 368.393 1.819 0 50 FDAA CCCN1CCN(CCNC(=O)Nc2cc(OC)ccc2OC)CC1 23114607 PFSICYJIKJTSEQ-UHFFFAOYSA-N 350.463 1.853 0 50 FDAA Cc1cccc(S(=O)(=O)NCCNc2ccc(-n3cccn3)nn2)c1 65362963 MBFZZPPENKEWJN-UHFFFAOYSA-N 358.427 1.361 0 50 FDAA C[C@H](C(=O)NC1CCN(C)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O 65363689 SWMCJRJLLUXGLE-GFCCVEGCSA-N 373.906 1.705 0 50 FDAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc2c(c1)NC(=O)CO2 249359480 ZUXCAGVLZWNBJN-DFBGVHRSSA-N 358.394 1.964 0 50 FDAA Cc1ccn2cc(C(=O)N3CCC[C@H](Cn4cc(CO)nn4)C3)nc2c1 20515398 NKUCGDCKPLZCTB-AWEZNQCLSA-N 354.414 1.279 0 50 FDAA CC(C)(C)OC(=O)NC(=NCCC[C@H](N)C(=O)O)NC(=O)OC(C)(C)C 140975940 YNJNUPWUTFZOCR-JTQLQIEISA-N 374.438 1.584 0 50 FDAA CCn1c(C2CCN(C(=O)c3cccc4[nH]c(C)nc34)CC2)nn(C)c1=O 67850879 PSXBBRQUXPBWQB-UHFFFAOYSA-N 368.441 1.806 0 50 FDAA O=C(c1ccc(N[C@@H]2CCOC2)nc1)N1CCCN(c2ncccn2)CC1 67871771 UNGXZVMOUZWGQD-MRXNPFEDSA-N 368.441 1.425 0 50 FDAA O=C(NCCn1cncn1)[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 219977040 CCTWWHVBDKJHCW-NSHDSACASA-N 354.336 1.335 0 50 FDAA CCn1cc(S(=O)(=O)N2CCC(CCCn3ccnc3)CC2)cn1 331590756 CAXJCKAPRMSJHM-UHFFFAOYSA-N 351.476 1.981 0 50 FDAA Cc1ncccc1C(=O)N1CC[C@H](N(C)Cc2cc(O)nc(N(C)C)n2)C1 328641284 QOLQTPRZBFCKHF-HNNXBMFYSA-N 370.457 1.298 0 50 FDAA COCc1nc(N2CCC[C@H](c3cc(=O)[nH]c(C)n3)C2)c2cnn(C)c2n1 72478580 RXKAPNVZITXJLU-LBPRGKRZSA-N 369.429 1.285 0 50 FDAA Cn1nc2c(c1C(=O)N1CCC(C(=O)O)(n3ccnc3)CC1)CCCC2 72462502 GRQYDOYAUHLBLA-UHFFFAOYSA-N 357.414 1.212 0 50 FDAA O=C([C@H]1CCCN1C(=O)Cc1ccccc1)N1CCO[C@H](c2ncon2)C1 329370922 AVGMZXHGSIBJTN-CVEARBPZSA-N 370.409 1.203 0 50 FDAA CC1CCN(Cc2ccc(C(=O)N3CCOC[C@H]3CC(=O)O)o2)CC1 72480842 CEUVVXRDFMBRKN-CQSZACIVSA-N 350.415 1.827 0 50 FDAA CNc1nc(N2CCC[C@@H](c3nnc(CN(C)C)n3C)C2)nc2c1CCC2 72434465 BPUNUEXSCRPNSQ-CYBMUJFWSA-N 370.505 1.581 0 50 FDAA Cn1cc(C(N)=O)cc1C(=O)N1CCN(c2ncnc3sccc23)CC1 154127154 ZVXGGDGDVOYVIF-UHFFFAOYSA-N 370.438 1.091 0 50 FDAA Cc1cnn(C2(C(=O)O)CCN(c3nnnn3-c3ccccc3)CC2)c1 72479282 IPCTWROYYMANTE-UHFFFAOYSA-N 353.386 1.248 0 50 FDAA O=C(NC1CCN(C[C@H]2CCOC2)CC1)N[C@H]1COc2ccccc2C1 172504680 OKNKRXCRSSYERX-CRAIPNDOSA-N 359.470 1.790 0 50 FDAA CC(=O)NCC[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)O)c(C)c2)C1 487294372 CXSMQYAJLKOWID-AWEZNQCLSA-N 368.455 1.620 0 50 FDAA CN(C)c1nc2c(c(=O)[nH]1)CCN(S(=O)(=O)c1cc3ccccc3o1)C2 71755401 VOIGAVCNAXRBRZ-UHFFFAOYSA-N 374.422 1.329 0 50 FDAA O=C(NCCn1cccn1)[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 219884666 JITPFJUQRHTWFH-LBPRGKRZSA-N 353.348 1.940 0 50 FDAA O=C(NC[C@@H]1CCCS(=O)(=O)C1)N1CCC[C@H](N2CCCC2)CC1 332887481 RZZPSSOVZUWZLN-HOTGVXAUSA-N 357.520 1.471 0 50 FDAA CCn1nnc(-c2cccc(NS(=O)(=O)NCc3ccccc3)c2)n1 72152224 KMZSJMPEEHRODL-UHFFFAOYSA-N 358.427 1.807 0 50 FDAA COc1cccc(C[C@H]2CN(C(=O)Cc3c(C)nc(N)nc3C)CCO2)c1 71775828 XCWSADMQICCRDH-KRWDZBQOSA-N 370.453 1.697 0 50 FDAA CN1CCCN(C(=O)[C@H](O)c2ccccc2Cl)CC12CCNCC2 216122896 VNVKNLDJQHFJSG-MRXNPFEDSA-N 351.878 1.660 0 50 FDAA Cn1ncc(N2CC[C@@H](CNC(=O)c3ccc(Cl)cc3O)C2)cc1=O 72158519 CFHCKVRPTYSWRT-NSHDSACASA-N 362.817 1.396 0 50 FDAA COCCCNC(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71735795 SQQHHSYZCADOLY-IBGZPJMESA-N 374.529 1.911 0 50 FDAA NC(=O)C1(C(=O)N2CCC[C@@]3(CCC(=O)N(Cc4ccncc4)C3)C2)CC1 72430942 INEBOQRVJWAMPX-LJQANCHMSA-N 370.453 1.078 0 50 FDAA NS(=O)(=O)CCCC(=O)N1CCCC[C@H]1CCc1cccc(O)c1 77355257 DPAOMPPRHGJLIJ-HNNXBMFYSA-N 354.472 1.775 0 50 FDAA Cn1cc(N2CCN(C(=O)NC[C@@H]3CCOc4ccccc43)CC2)cn1 174250265 WIXLMYGAOAMKBM-HNNXBMFYSA-N 355.442 1.818 0 50 FDAA OCCOc1cncc(N2CCC[C@H](c3nnc4n3CCCCC4)C2)n1 133055426 DQVGCAQFWFUERD-AWEZNQCLSA-N 358.446 1.550 0 50 FDAA CN(C)C1(CNC(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)CCOCC1 222756379 UGKJRDRAMNSRCG-AWEZNQCLSA-N 363.433 1.406 0 50 FDAA CN(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(N)=O)CC3)cn1 287362162 MJWLHQZSALRVGD-UHFFFAOYSA-N 361.427 1.390 0 50 FDAA Cc1cc(C)cc(N2CCC(N[C@@H]3COCC[C@@H]3OCC(N)=O)CC2)c1 220597580 NENFNDSSJMTOCO-MOPGFXCFSA-N 361.486 1.521 0 50 FDAA CCC[C@@H]1CN(C(=O)c2ccc3c(=O)n(C)cnc3c2)C[C@H]1NC(C)=O 82109653 FVIWEMVJULNZAW-RHSMWYFYSA-N 356.426 1.310 0 50 FDAA Nc1ccc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccc(C(=O)O)cc2)cn1 221422794 KZHUHOFMCDANGR-HUUCEWRRSA-N 357.366 1.328 0 50 FDAA Cc1nc2cc(CC(=O)N[C@@H](c3cnn(C)c3)[C@H]3C[C@H](O)C3)ccc2[nH]1 222234438 GCUGHUCDKMDSPC-FRIZHTMISA-N 353.426 1.776 0 50 FDAA COc1cccc(F)c1C(=O)N[C@@H]1CCN(Cc2cscn2)C[C@H]1O 426597191 HZGVDMGJJMSBLM-ZIAGYGMSSA-N 365.430 1.656 0 50 FDAA CCCc1nnc(N2CCO[C@H](Cc3noc(-c4ccccn4)n3)C2)o1 95365509 BPNTUDRYAAAVPI-GFCCVEGCSA-N 356.386 1.915 0 50 FDAA CN(CCCc1nccn1C)C(=O)NC[C@H]1CCCN(C(=O)C2CC2)C1 426711197 DEFBCAYWXOIPNR-OAHLLOKOSA-N 361.490 1.643 0 50 FDAA COc1cc(C(=O)N[C@@H](C)Cn2cncn2)ccc1OC1CCN(C)CC1 95502349 JXNDCQNRYNSFHS-AWEZNQCLSA-N 373.457 1.578 0 50 FDAA C[C@@H](CNC(=O)N1CCC(Oc2ncccn2)CC1)Oc1cccnc1 426571584 IPYBLQPIMJVYFI-AWEZNQCLSA-N 357.414 1.892 0 50 FDAA CCCc1nnc(N2C[C@H]3CN(C4CCOCC4)C[C@@]3(C(=O)O)C2)s1 96139672 MQSQRJUSIUGRCV-SJKOYZFVSA-N 366.487 1.492 0 50 FDAA O=C1NCCN(Cc2ccccc2)[C@@H]1CC(=O)N1CC(c2ccncc2)C1 426593543 CMJLHQZXGJBIBH-LJQANCHMSA-N 364.449 1.398 0 50 FDAA O=C(C1CCN(C2CCOCC2)CC1)N1CCN(Cc2ccco2)CC1 97759289 GRPYTVGVTLHHRN-UHFFFAOYSA-N 361.486 1.815 0 50 FDAA CCC[C@H]1CN(Cc2cnc(N3CCOCC3)s2)C[C@@H]1NC(C)=O 92001614 BNFBMPVGEXQSJI-HOCLYGCPSA-N 352.504 1.716 0 50 FDAA Cn1c(N2CC[C@H](O)C2)nc2cc(C(=O)N3CCC4(CCO4)CC3)ccc21 95369004 GCNWPCOACSJSSO-HNNXBMFYSA-N 370.453 1.539 0 50 FDAA CC(C)OCC(=O)N1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 91621502 NUKKCLFIOQWOLR-UHFFFAOYSA-N 372.473 1.989 0 50 FDAA Cc1cc2n(n1)CCCN(Cc1cc(=O)c3cc(C(N)=O)ccc3[nH]1)C2 91650645 AASZQTYXIUEFAG-UHFFFAOYSA-N 351.410 1.538 0 50 FDAA Cc1cc(C)c(C(=O)N2CCc3c(nc(CC4CC4)[nH]c3=O)C2)c(=O)[nH]1 91894260 IZJSCNBNVCCMOC-UHFFFAOYSA-N 354.410 1.226 0 50 FDAA COc1ccc(Cl)cc1N1C(=O)C[C@@H](N2CCC(C(N)=O)CC2)C1=O 95483261 WSBJYDGASYFKAX-CYBMUJFWSA-N 365.817 1.178 0 50 FDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H](C)SC)CC2 91931169 VGIDRHDHOFDPOY-LBPRGKRZSA-N 366.487 1.010 0 50 FDAA Cn1c(Cn2ccnc2)nnc1C1CCN(C(=O)c2ccc(CO)o2)CC1 91474082 XXPOKIVOBKYJOP-UHFFFAOYSA-N 370.413 1.165 0 50 FDAA CC[C@H](C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O)N1CCOCC1 91620103 UEJXCCAQQCXWGJ-QGZVFWFLSA-N 372.469 1.523 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccccc2F)CN1C1CCOCC1 96152203 GEUSUPNQCTUDQK-GUYCJALGSA-N 363.433 1.314 0 50 FDAA Cc1cc(O)nc(S[C@@H](C)C(=O)NCC2(CN3CCOCC3)CC2)n1 253537275 ISLJMSJTWOJAOM-ZDUSSCGKSA-N 366.487 1.200 0 50 FDAA NC(=O)C[C@@H](c1ccncc1)c1oc(CN2CCCCC2)cc(=O)c1O 253408529 KVBHFMJFYPNOIM-HNNXBMFYSA-N 357.410 1.734 0 50 FDAA biogenic O=C(NCCN1CCc2ccccc2C1)[C@@H]1CC(=O)N(c2nccs2)C1 80870868 IMICLMJFSXGHRA-MRXNPFEDSA-N 370.478 1.671 0 50 FDAA CCN1C(=O)COc2cc(NC(=O)N[C@H](C)Cc3cnccn3)ccc21 299781758 OUXRTGANJHKNDY-GFCCVEGCSA-N 355.398 1.975 0 50 FDAA CN(C)c1cccc(C(=O)N2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)c1 299769151 KBHCLMKDZNQSKA-NFBUACBFSA-N 360.454 1.381 0 50 FDAA O=C1COc2cc(C(=O)N3CCCO[C@H](CN4CCCCC4)C3)ccc2N1 299787173 ZOQZXASYPGOKGV-MRXNPFEDSA-N 373.453 1.735 0 50 FDAA CCOCC(=O)N1CCC(c2ncnn2-c2ccc3c(c2)OCO3)CC1 823316635 BBAGTNMQXNAJJB-UHFFFAOYSA-N 358.398 1.739 0 50 FDAA Cc1cnc(N2CC[C@](Cc3ccccc3)(C(=O)O)[C@H](O)C2)nc1N(C)C 1529133150 DZSKJEXYJQSUSQ-OXQOHEQNSA-N 370.453 1.736 0 50 FDAA CCOc1ccc(CC(=O)N2C[C@H](C(C)C)[C@@H](NS(C)(=O)=O)C2)cc1 1565507417 RYCJVPHDBJVCQY-SJORKVTESA-N 368.499 1.660 0 50 FDAA Cn1ncc2c(O)nc(CN3C[C@@H]4CC[C@H]3CN(C3CCOCC3)C4)nc21 1565531298 VMOMMEVXLLQUOL-HIFRSBDPSA-N 372.473 1.144 0 50 FDAA COC(=O)CC[C@H]1NC(=O)N(c2cc(F)c(N3CCCC3)c(F)c2)C1=O 278345199 YYQBJWUWFVENOQ-CYBMUJFWSA-N 367.352 1.943 0 50 FDAA CCOC(=O)C[C@H](Sc1ncnc2c1CN(C)CC2)C(=O)OCC 280349308 WMWUZWKFMCCFPY-ZDUSSCGKSA-N 353.444 1.442 0 50 FDAA CC(C)[C@H]1CN(C)CCN1C(=O)Cc1ccnc(O)c1Br 408354641 IVQJADMGBQSQLJ-GFCCVEGCSA-N 356.264 1.891 0 50 FDAA O=C(c1nc2ccccc2[nH]c1=O)N1CCO[C@H](CO)[C@H]1c1ccccc1 1529091122 NYNMWINGBRLOKI-SJLPKXTDSA-N 365.389 1.498 0 50 FDAA COc1ccccc1NC(=O)CN1CCCN(C(=O)c2[nH]cnc2C)CC1 1529113434 YYIVCXBNWFYSLA-UHFFFAOYSA-N 371.441 1.513 0 50 FDAA O=C(c1nc2ncccn2n1)N1C[C@H]2CCC[C@](O)(c3ccccc3)[C@H]2C1 1704300778 ZHXSWJWYZBXBSF-IIMJZQEZSA-N 363.421 1.884 0 50 FDAA O=C(c1ncccc1O)N1C[C@@H]2CN(C3CCSCC3)C[C@@]2(CO)C1 1772711848 XMZREGRSTOSMDY-UGSOOPFHSA-N 363.483 1.049 0 50 FDAA COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)Cn2cccn2)CC1 11879708 ZMUWWKLQUMAGNM-SFHVURJKSA-N 364.490 1.249 0 50 FDAA CCOC[C@@H](O)CNC(=O)c1cn(Cc2ccc(F)cc2Cl)nn1 12385628 FFLQVZZMWTYNBY-LBPRGKRZSA-N 356.785 1.246 0 50 FDAA CS(=O)(=O)N(CC(=O)NCCCN1CCCC1)c1ccccc1Cl 13674544 TTYDFZKEXOBWDE-UHFFFAOYSA-N 373.906 1.708 0 50 FDAA O=C(NCCN1CCCCC1)c1nnn2cc(-c3ccccc3)[nH]c(=O)c12 169768954 GGPANNDQRZYVJC-UHFFFAOYSA-N 366.425 1.300 0 50 FDAA C[C@H](C(N)=O)N1CCC2(CC1)CC(=O)N(C/C=C/c1ccccc1)CCO2 1857681467 KNROBWBTUXYBPS-ZGRWHYIRSA-N 371.481 1.657 0 50 FDAA Cc1cc(C)n2ncc(-c3nccn3CCN3CCC[C@@H](CO)C3)c2n1 1857688567 QPAKZRHHHYZZRM-MRXNPFEDSA-N 354.458 1.914 0 50 FDAA COc1cc(C)c(S(=O)(=O)N[C@@H]2C[C@H]3CO[C@H](C)CN3C2)c(C)c1C 1857733774 YAPHIWWGNCDBPP-WQVCFCJDSA-N 368.499 1.760 0 50 FDAA Cc1cccc(=O)n1CCCNC(=O)[C@@H]1CC(=O)N(c2nccs2)C1 1857734076 CODROSQIUGVQBA-CYBMUJFWSA-N 360.439 1.173 0 50 FDAA Cc1nnc(COc2ccc(S(=O)(=O)N3CC(CO)C3)cc2)s1 408525416 ODGZZRHNVSZLAL-UHFFFAOYSA-N 355.441 1.038 0 50 FDAA COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2CN)cc1Cl 237255446 OIYKOVVFMSUXIJ-IINYFYTJSA-N 360.863 1.922 0 50 FDAA Cc1nnsc1C(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccn1 248032941 QBJCACLWIQBHOM-OCCSQVGLSA-N 357.439 1.505 0 50 FDAA CCOc1ccnc(N2CCN(Cc3nc4ccc(OC)nc4[nH]3)CC2)n1 497761599 OMTKSQCCJWYBGM-UHFFFAOYSA-N 369.429 1.477 0 50 FDAA C[C@@]1(O)CCOC2(CCN(Cc3ccc4c(c3)OC(F)(F)O4)CC2)[C@H]1O 1704325273 LAIMKFAIDUJSLR-JKSUJKDBSA-N 371.380 1.875 0 50 FDAA C=CC(=O)N1CCC(C(=O)N[C@H]2CCCNC2=O)(c2ccccc2)CC1 847407547 LDFKEYQJJOZULW-INIZCTEOSA-N 355.438 1.128 0 50 FDAA COc1cccc(N2C[C@H](NC(=O)N3C[C@@H](C)[C@@](C)(CO)C3)CC2=O)c1 952853097 GRONCHABEBOASR-PJIJBLCYSA-N 361.442 1.460 0 50 FDAA CC1(C)Cc2c(cnn2-c2ccccc2F)CN(C(=O)C2(O)CNC2)C1 952894510 NNRCPSLMXZWMCB-UHFFFAOYSA-N 358.417 1.257 0 50 FDAA COC(=O)c1ccc(OC)c2c1CCN(C(=O)N[C@H](C)c1ncnn1C)C2 875525535 HDEBMCCRCMUWMK-LLVKDONJSA-N 373.413 1.439 0 50 FDAA COC(=O)[C@H]1c2c[nH]nc2CN1C(=O)[C@H](C)Oc1ccc2c(c1)CCC2 1875295694 ODPDEYCQMPAPCS-APPDUMDISA-N 355.394 1.922 0 50 FDAA C=CC(=O)N1CC2(CC[C@H](CNC(=O)[C@H]3C[C@H]3c3cnn(C(C)C)c3)O2)C1 1875389101 BUYVFFPTHDSSBH-IKGGRYGDSA-N 372.469 1.630 0 50 FDAA CN1C(=O)COc2ccc(NC(=O)N[C@@H]3C[C@@H]4C[C@H](C(N)=O)C[C@H]43)cc21 1875326065 ZBKHZOZVXXABBC-YRRQLQLVSA-N 358.398 1.063 0 50 FDAA CC1(C)CN(c2ncnc3c2COC3)CC[C@H]1NC(=O)c1cccnn1 1875405417 FXKXHAWZBDJUMT-OAHLLOKOSA-N 354.414 1.332 0 50 FDAA N[C@H]1CC[C@H](c2nc(-c3ccccn3)nn2[C@@H]2CCS(=O)(=O)C2)CC1 2100547177 CLJKLCYGWPAXRJ-MGPQQGTHSA-N 361.471 1.685 0 50 FDAA Nc1ccc(F)cc1NC(=O)c1cnc2c(c1)c(O)nc(=O)n2C1CC1 2325745486 PPQPLWUQCKJRNT-UHFFFAOYSA-N 355.329 1.806 0 50 FDAA CC(=O)N[C@@H](COC(C)C)C(=O)N1C[C@H](C)N(CC(F)(F)F)[C@H](C)C1 2325781066 HRPHRMAWDJRCRE-SCRDCRAPSA-N 367.412 1.400 0 50 FDAA O=C(N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O)c1ccc(-n2ccnc2)cc1 2325785482 ASNIULXKJAZXGM-BMGDILEWSA-N 351.410 1.638 0 50 FDAA Cc1ncn(-c2ccc(NC(=O)[C@H]3CCCN(CCN)C3=O)cc2)c1C 2325795583 NXEVDJQKLGMJIC-QGZVFWFLSA-N 355.442 1.625 0 50 FDAA COc1cc(Cl)ccc1C[C@@H]1NC(=O)[C@@H]2COC3(CCC3)CN2C1=O 2325809029 XKVLTLTXGAPPFC-KBPBESRZSA-N 364.829 1.540 0 50 FDAA CCC1(C(=O)N2CCC[C@H](NC(=O)c3ccnc4c3nnn4C)C2)CCC1 2325865287 VWXSTGYWJYHTHN-ZDUSSCGKSA-N 370.457 1.664 0 50 FDAA COc1ccc2c(C)c(CC(=O)N3CCC(C(N)=O)CC3)c(=O)oc2c1C 2116979 VLAKQDGGJXNAMZ-UHFFFAOYSA-N 372.421 1.685 0 50 FDAA biogenic O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCC[C@@]12CCCN(CCO)C2=O 2356160255 KGTRELXHJBMXMI-LJQANCHMSA-N 369.425 1.061 0 50 FDAA O=C(c1cn(CC(=O)N2C[C@@H]3CNC(=O)[C@@H]3C2)c2ccccc12)C1CC1 2356166507 APKOYKQFOHPQIH-DZGCQCFKSA-N 351.406 1.438 0 50 FDAA NC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cs1 6678648 QLIDXZORMHJLRZ-UHFFFAOYSA-N 351.453 1.358 0 50 FDAA COc1ccccc1N1CCN(C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)CC1 100897455 XETXTEAPMQOLHX-USJZOSNVSA-N 356.422 1.867 0 50 FDAA COCc1cc(CN(C)C(=O)c2ccc(CSc3ncn[nH]3)o2)n[nH]1 55404931 LSPRQSQDRBYGEB-UHFFFAOYSA-N 362.415 1.832 0 50 FDAA O=C1N[C@@H]2CCCC[C@H]2N[C@@H]1CC(=O)N1CCN(Cc2ccccc2)CC1 101330102 ROUPVEVEXKIBOB-GUDVDZBRSA-N 370.497 1.120 0 50 FDAA COC[C@H](NCc1cn(CCC(N)=O)c2ccccc12)c1ccnn1C 55403596 NINNKFBPCUTFBP-INIZCTEOSA-N 355.442 1.728 0 50 FDAA COC(=O)c1n[nH]c2c1[C@H](c1cc3ccc(C)cc3[nH]c1=O)CC(=O)N2 65403898 POGXJYIOEBCKCD-JTQLQIEISA-N 352.350 1.820 0 50 FDAA Cc1cc(C)n2nc(CC(=O)N[C@H]3CCN(Cc4ccccc4)C3)nc2n1 65526376 AWFAZHLZRRIXGL-KRWDZBQOSA-N 364.453 1.674 0 50 FDAA CC(=O)N1CCC2(CC1)Nc1ccccc1N(Cc1cncn1C)C2=O 63848406 NILOABURDAWTRO-UHFFFAOYSA-N 353.426 1.760 0 50 FDAA CC(=O)N1CCc2nc(C)nc(N[C@H]3COC[C@@H]3N3CCCC3)c2CC1 65375360 UVEOHSNTVFOLAQ-ROUUACIJSA-N 359.474 1.007 0 50 FDAA CCc1cn[nH]c1C1CCN(C(=O)c2cnn3cc(CCO)cnc23)CC1 67757063 DHDWIYQULCTFLU-UHFFFAOYSA-N 368.441 1.569 0 50 FDAA CCn1c([C@@H]2CCCN(Cc3cc(=O)c4ccccc4[nH]3)C2)n[nH]c1=O 67770139 ZQTAOMGGGZMIFQ-CYBMUJFWSA-N 353.426 1.812 0 50 FDAA O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]1(O)CNCCc1c[nH]cn1 67643093 VMDJKSRIELGKTN-SFHVURJKSA-N 364.396 1.374 0 50 FDAA NC(=O)C1(NC(=O)c2cc(Cn3cnc4ccccc43)[nH]n2)CCCC1 67804292 OZAQZMWWPCNQQR-UHFFFAOYSA-N 352.398 1.336 0 50 FDAA O=C([C@@H]1CCCCO1)N1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 67786750 XXUDWUNLLITFCK-KRWDZBQOSA-N 370.453 1.895 0 50 FDAA O=C([C@@H]1C[C@@]12CCOC2)N1CCOC[C@H]1c1ncnn1Cc1ccccc1 328900849 YJDONDPARSERGR-ABSDTBQOSA-N 368.437 1.653 0 50 FDAA CNCCN1C(=O)CC[C@H]2CN(Cc3c(C)nc4ccccn34)CC[C@H]21 72424213 KKYXLOVRWCEPBC-DLBZAZTESA-N 355.486 1.675 0 50 FDAA O=C(O)[C@H]1C[C@H](C(=O)NC2CC2)CN(Cc2c[nH]nc2-c2ccccc2)C1 71753159 KRAAUHUWSGJCIT-GJZGRUSLSA-N 368.437 1.878 0 50 FDAA COCc1cc(C(=O)N2CCC[C@H](Cc3nnc4ccccn34)C2)no1 364061959 FDDNRDYMRUBLOQ-CYBMUJFWSA-N 355.398 1.959 0 50 FDAA C[C@H](Cc1ccc2c(c1)OCO2)c1nccn1CCS(=O)(=O)N(C)C 72410901 ATWZARMOQHJIRW-CYBMUJFWSA-N 365.455 1.849 0 50 FDAA CCN(C)CCC(=O)NCc1cc2c(nc1OC)CN(C1CCCC1)C2=O 71707910 QRNVYNLYAHLWNN-UHFFFAOYSA-N 374.485 1.947 0 50 FDAA O=C(c1ccccc1-c1nnn[nH]1)N1CCCC[C@H]1CN1CCOCC1 77489533 JNWDUGRZYKTUOH-AWEZNQCLSA-N 356.430 1.194 0 50 FDAA CN(Cc1nc(O)c2sccc2n1)C(=O)c1cn(C)nc1[C@@H]1CCOC1 330303025 OWKWGVNLHUYTKS-SNVBAGLBSA-N 373.438 1.907 0 50 FDAA CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 330605936 MYNXLUFEAIHXKV-LBPRGKRZSA-N 368.352 1.990 0 50 FDAA CCN(Cc1c(C)nn(C)c1C)C(=O)c1cn(CC[C@@H]2CCCCN2)nn1 77322781 JYLIQTWDZGIHQR-INIZCTEOSA-N 373.505 1.823 0 50 FDAA Cc1noc(C)c1-c1ccc(S(=O)(=O)N[C@@H]2[C@@H](N)[C@H]3CCO[C@H]32)s1 219870500 STLRGRIFBUXXBO-KYQLBWAOSA-N 369.468 1.413 0 50 FDAA CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]3CNC[C@H]32)cc1Cl 331836861 SCONACLFKOSFFU-XHDPSFHLSA-N 357.863 1.671 0 50 FDAA Cc1nc([C@H](C)NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cs1 332215777 ZDDXPIPVOQNSDQ-VIFPVBQESA-N 366.468 1.681 0 50 FDAA CN1C(=O)C[C@@H](C(=O)NCCc2cccc(Cl)c2)[C@@H]1c1cnn(C)c1 373789763 XWJGQEOKRSTRHK-WBVHZDCISA-N 360.845 1.952 0 50 FDAA CC(C)n1cc([C@@]2(O)CCN(C(=O)c3ccn(C4CCCC4)n3)C2)nn1 375410824 MNKGOICHXZQIHC-GOSISDBHSA-N 358.446 1.904 0 50 FDAA CCN(C)CC(=O)N1CCC[C@H](c2cc(N3CCOCC3)nc(C)n2)C1 72478262 ZPGIEQGLUYBDQN-INIZCTEOSA-N 361.490 1.279 0 50 FDAA Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)NCCN1C(=O)CNC1=O)CC3 378503954 CNKGUPAQMZRHHB-LBPRGKRZSA-N 369.425 1.185 0 50 FDAA C[C@@H]1C[C@H]1c1nnc2ccc(N3CCO[C@](C)(c4cnn(C)c4)C3)nn12 333597147 ULKBOUFGPJWCJG-DFHBCGBQSA-N 353.430 1.733 0 50 FDAA C[C@H]1C[C@H](N)CCN1C(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 237627464 NJFNZQFYFJOQOL-GXSJLCMTSA-N 354.336 1.633 0 50 FDAA C[C@@H](CO[C@@H]1CCOC1)NC(=O)N1CCN(c2nc3ccccc3o2)CC1 175577122 SVEADIOZWWUTDO-LSDHHAIUSA-N 374.441 1.853 0 50 FDAA Cc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1c(C)nn(C)c1C 132596129 AQEQJFAZTHCVOV-UHFFFAOYSA-N 350.444 1.848 0 50 FDAA Cc1ccn2c(F)c(C(=O)N3CCC[C@H](CS(C)(=O)=O)C3)nc2c1 426641535 MWJZRZZPPYTKKR-LBPRGKRZSA-N 353.419 1.679 0 50 FDAA Cc1ccccc1C(=O)N1CC[C@@]2(C1)C(=O)N(CC(N)=O)c1ccccc12 82160808 PIVJJZCJGLVOEK-NRFANRHFSA-N 363.417 1.611 0 50 FDAA O=C(CCS(=O)(=O)c1ccccc1)N[C@H]1COC[C@@H]1N1CCCCC1 426397987 BCFLAPRYZCVZOW-IRXDYDNUSA-N 366.483 1.220 0 50 FDAA CC(C)n1cc(CNC(=O)N(Cc2ccccn2)C[C@@H]2CCC(=O)N2)cn1 426379623 FDFDNEYWFLHHRM-KRWDZBQOSA-N 370.457 1.849 0 50 FDAA CNc1cc(C)nc(-c2cccc(C(=O)NCCCn3ccnn3)c2)n1 426485982 RAUCIXWXXZWBPG-UHFFFAOYSA-N 351.414 1.905 0 50 FDAA O=C1N(Cc2ncccn2)C(=O)C2(CCNCC2)N1CCc1ccccc1 95362299 FSFBKUWNNSEDOO-UHFFFAOYSA-N 365.437 1.606 0 50 FDAA Cc1cc2cccc(C(=O)N3CCN(S(=O)(=O)N(C)C)CC3)c2o1 97601161 CRKKEADELTYSIR-UHFFFAOYSA-N 351.428 1.305 0 50 FDAA Cc1cc(C)c2c(CC(=O)N[C@H]3COC[C@@H]3N3CCOCC3)coc2c1 426407553 NGBGCQBZOIAMHP-IRXDYDNUSA-N 358.438 1.808 0 50 FDAA O=C(CN1C(=O)CCNC1=O)N(C/C=C/c1ccccc1)C[C@@H]1CCCO1 95527386 CPFPOHXTXLZSGW-AUNFYEFLSA-N 371.437 1.649 0 50 FDAA CCn1c(Cn2ccnc2)nnc1C1CCN(c2cc(OC)ncn2)CC1 91486415 ACJHUMHTBVTUOQ-UHFFFAOYSA-N 368.445 1.725 0 50 FDAA CCN(Cc1noc(CC(C)C)n1)C(=O)c1ccnc(-n2cnnc2)c1 97499484 XRUMTZMWZDZFKE-UHFFFAOYSA-N 355.402 1.906 0 50 FDAA CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)C2CCCC2)CN1Cc1c[nH]cn1 96180599 AZDSFDPEEPRWOP-RDJZCZTQSA-N 361.490 1.527 0 50 FDAA O=C(NCc1noc(C2CCCC2)n1)[C@@H](c1cccnc1)N1CCOCC1 95365283 RXMKEYGAZNATEL-QGZVFWFLSA-N 371.441 1.812 0 50 FDAA COC[C@@H](NC(=O)Nc1cc(F)cc2c1NC(=O)CC2)c1ccnn1C 96159707 DKKWCGDCPYYSKG-CYBMUJFWSA-N 361.377 1.953 0 50 FDAA COCCN(Cc1cnn(C)c1)C(=O)Cn1sc2ccccc2c1=O 95505568 ORGIHRIUCMAGIC-UHFFFAOYSA-N 360.439 1.472 0 50 FDAA CNS(=O)(=O)c1ccc(CN2CCC[C@@](CO)(CCOC)C2)cc1 91462189 AZQJCUJMWDYHFF-QGZVFWFLSA-N 356.488 1.206 0 50 FDAA O=C(c1cccc(S(=O)(=O)NCc2ccno2)c1)N1CCSCC1 95377371 NRUQFGVPACXUCP-UHFFFAOYSA-N 367.452 1.342 0 50 FDAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCc1ccccc1)C2 91780419 IEJUXLSQRLCCDD-DLBZAZTESA-N 365.499 1.348 0 50 FDAA Cc1nn(C)c(C)c1CN(C)C(=O)[C@H](c1cccnc1)N1CCOCC1 91585574 IHOVJCVTJAEXKF-SFHVURJKSA-N 357.458 1.464 0 50 FDAA CCc1nc2ccccc2n1CCC(=O)N1CCC2(CC1)N=C(C)NC2=O 244646998 GTFKMYDANIXRBY-UHFFFAOYSA-N 367.453 1.898 0 50 FDAA N[C@H]1CC[C@@H](n2cc(C(=O)NC[C@@H]3COc4ccccc4C3)nn2)CC1 244673535 HQURYYAJZANDBE-BMFZPTHFSA-N 355.442 1.702 0 50 FDAA CNc1cc([C@H]2C[C@@H](NC(=O)Cn3nc(C)c(C(C)=O)c3C)C2)ncn1 244602033 DWLHQWDNLSCSKP-OKILXGFUSA-N 356.430 1.597 0 50 FDAA Cn1nc(C(N)=O)c2c1CCN(Cc1cncn1Cc1ccccc1)C2 244748760 ONXOCFYYMCEFBA-UHFFFAOYSA-N 350.426 1.322 0 50 FDAA Cc1nc2c3c(F)cccc3nn2c(O)c1CCC(=O)NCCN(C)C 252536717 JGSRPMJJULFPDN-UHFFFAOYSA-N 359.405 1.646 0 50 FDAA Cc1nc2sccn2c1C(=O)N[C@H]1C[C@@H](c2cc(O)nc(N(C)C)n2)C1 253534851 LINDIQCSVKUANM-PHIMTYICSA-N 372.454 1.942 0 50 FDAA Cc1cc(-c2noc(CCC(=O)N3CCO[C@H](C(=O)O)C3)n2)ccc1F 299748291 GTAJOIUNHDVRDW-ZDUSSCGKSA-N 363.345 1.429 0 50 FDAA CCOC(=O)c1nnn(-c2nonc2N)c1CN(C)Cc1ccccc1 54954694 USVKTOQVEQJTNA-UHFFFAOYSA-N 357.374 1.041 0 50 FDAA COc1ccc(C(=O)N2CCC(n3cnnc3)CC2)cc1OCCCN 299766865 TVVTZZXQVGCQGB-UHFFFAOYSA-N 359.430 1.492 0 50 FDAA O=C(CCc1nc(O)n[nH]1)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12 1940197293 GBYMTGAWIXRGMY-CZUORRHYSA-N 367.409 1.365 0 50 FDAA Cc1c(C(=O)N2CCC[C@H]2c2nc(C3CC3)no2)cnc2cc(=O)[nH]n12 299762243 MZOGXUUCAIVSIX-LBPRGKRZSA-N 354.370 1.569 0 50 FDAA Cc1ccc(F)c(C(=O)N[C@@H]2CCN(CC(=O)N(C)C)C[C@H]2O)c1Cl 299800024 UQRBPYYZGZOFOI-CHWSQXEVSA-N 371.840 1.041 0 50 FDAA CC[C@@H](C(=O)N1CCC2(CC1)CNC(=O)O2)N1Cc2ccccc2C1=O 299767109 DZAIEUUIBIHKLM-HNNXBMFYSA-N 357.410 1.522 0 50 FDAA CN1CC[C@@H](N(C)CCC(=O)NCCc2cnn(-c3ccccc3)c2)C1 299792681 GOZPZCPZYNYPJB-LJQANCHMSA-N 355.486 1.557 0 50 FDAA NC(=O)Cc1nc([C@H]2CC(=O)N(C3CCCC3)C2)n(CC(F)(F)F)n1 826842282 OUDFZQLKGKSZIL-VIFPVBQESA-N 359.352 1.127 0 50 FDAA CS(=O)(=O)CCC(=O)N1CCN([C@H]2CCc3ccccc3C2)CC1 827951826 BVKOTSBNSAWRHQ-KRWDZBQOSA-N 350.484 1.123 0 50 FDAA CCN1CCN(Cc2nc(COc3ccc(F)cc3)nn2CCO)CC1 828776906 LDOOJIPEOQNVOR-UHFFFAOYSA-N 363.437 1.126 0 50 FDAA CC(C)N1CCC(CC(=O)N2CCN(CC3CC3)[C@H](CCO)C2)CC1 584894410 GDGRYHZXTCXKBZ-LJQANCHMSA-N 351.535 1.802 0 50 FDAA CCn1nc(CO)c2c1CCN(CCC(=O)NCc1ccccc1F)C2 670452982 OPFGCDDJXSVOSX-UHFFFAOYSA-N 360.433 1.599 0 50 FDAA CCCn1nccc1S(=O)(=O)NC1CCN(C(=O)CC(C)C)CC1 670437769 RDSBXVLDPGIVLN-UHFFFAOYSA-N 356.492 1.609 0 50 FDAA Nc1nc(O)cc(N2CCC3(CC2)CN(C(=O)C2CCCC2)CCO3)n1 952868831 HRKWEKBPLFTSCZ-UHFFFAOYSA-N 361.446 1.152 0 50 FDAA COc1cc(N2CCC[C@@H](CNC(=O)Cc3c(C)noc3C)C2)nc(N)n1 952965372 UBZQNKUPQPEDNV-ZDUSSCGKSA-N 374.445 1.248 0 50 FDAA CC(=O)c1[nH]c(C)c(C(=O)N2CC[C@H](Nc3ncccn3)[C@@H](O)C2)c1C 1565509749 NOOCXOMQJUCPNH-KBPBESRZSA-N 357.414 1.312 0 50 FDAA CNc1nc(C)cc(N[C@H]2COCC[C@@H]2Oc2ccc(C(N)=O)cc2)n1 1565510734 PBJGBFBGSLKJDY-GJZGRUSLSA-N 357.414 1.574 0 50 FDAA Cc1nc(S(=O)(=O)NC(=O)c2coc3c2C(=O)CCC3)sc1C 408495204 NYJVEPLBGXQTSI-UHFFFAOYSA-N 354.409 1.991 0 50 FDAA Cc1nc(C)c(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc4C3)C2=O)o1 268940772 FSYSMROOHMPQBB-LJQANCHMSA-N 353.378 1.954 0 50 FDAA Nc1nccnc1C(=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 275694145 RDCKMXRTZIOVTQ-CYBMUJFWSA-N 354.414 1.348 0 50 FDAA COCCN1CCN(C(=O)c2c[nH]nc2-c2cc3ccccc3o2)CC1=O 188983461 JUAKKBNLNYJJAV-UHFFFAOYSA-N 368.393 1.754 0 50 FDAA C[C@H]1CCS(=O)(=O)CCN1C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 191798891 OSITUYWOAIUJHU-GOEBONIOSA-N 364.467 1.071 0 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1.433 0 50 FDAA in-vitro COc1ccc(CN2CCN(C3CCOCC3)C[C@@H]2CCO)c(F)c1 19222993 UUWHRAMBCQWBHE-KRWDZBQOSA-N 352.450 1.882 0 50 FDAA COC1(OC)[C@@]2(Cl)[C@@H]3C(=O)[C@@H]4[C@@H]5C(=O)[C@@H]3[C@@]1(Cl)[C@@]5(Cl)[C@@]42Cl 169795874 IXQXXDRHGCNCJI-SSFXLQBSSA-N 372.031 1.557 0 50 FDAA CCn1nccc1CN[C@@H]1CCN(c2nc(C(=O)N(C)C)nc(C)c2C)C1 1857529050 HQPLBDJORFJYNJ-OAHLLOKOSA-N 371.489 1.380 0 50 FDAA O=C1OC[C@@]2(Cc3ccccc3)CN(S(=O)(=O)CC3CC3)CCN12 1857681607 GXLGQRVSTQFBTQ-QGZVFWFLSA-N 350.440 1.476 0 50 FDAA COCC(=O)N[C@H]1CC[C@@H](NC(=O)c2cnn(-c3ccccc3OC)c2)C1 1857685129 PGNOGXPRROWYEB-LSDHHAIUSA-N 372.425 1.294 0 50 FDAA COc1ccc(Cc2nc([C@@H](C)N)n(CC(=O)NC3CCC3)n2)cc1OC 1857694193 DNKAHNDDENGQHP-GFCCVEGCSA-N 373.457 1.575 0 50 FDAA CN(C)c1nc(O)c2c(n1)[C@]1(CCCN(C(=O)c3cccc(O)n3)C1)CC2 1857696904 QACGPYCLKGHWFA-LJQANCHMSA-N 369.425 1.469 0 50 FDAA OCC[C@H]1CN2C[C@@H](n3ccnc3-c3cccc4ccnn34)C[C@H]2CO1 1857708929 UXJOTLZHZBQJHL-ULQDDVLXSA-N 353.426 1.594 0 50 FDAA 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0 50 FDAA O=C(C1CCN(CC(F)F)CC1)N1CCOC[C@@H]1[C@H]1CCCC[C@H]1O 408063212 IIKRGHGOYCFOQM-BZUAXINKSA-N 360.445 1.742 0 50 FDAA COc1ncccc1CNC(=O)C(=O)Nc1nc(C(F)(F)F)cs1 170618525 JAMKSXOXDBQQLG-UHFFFAOYSA-N 360.317 1.820 0 50 FDAA O=C1O[C@H](C(=O)NC[C@@H](O)COc2ccc(F)cc2)Cc2ccccc21 170623056 LZEFPXRWOUKOGN-PBHICJAKSA-N 359.353 1.463 0 50 FDAA COc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](CO)C2)ccc1Br 189184251 OWEPVURFDZEEKA-ZJUUUORDSA-N 364.261 1.707 0 50 FDAA O=C(CN1CCNCC1)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 209996934 XVBYBIHGTYIVEB-UXHICEINSA-N 353.466 1.422 0 50 FDAA CCOCCNC(=O)[C@@H]1CC[C@H](NC(=O)c2cn3ccsc3n2)C1 216962110 YZWINNMHELTMHD-NEPJUHHUSA-N 350.444 1.447 0 50 FDAA COCC1(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3CCCCO)C2)CCC1 216982136 MPTDZEFQZWIZSQ-CVEARBPZSA-N 352.475 1.415 0 50 FDAA CCc1cc(CN2C[C@H]3COC[C@@H]2CN(Cc2ccn(CC)n2)C3)on1 1772712950 WHHZDGHFCPUEFW-YJBOKZPZSA-N 359.474 1.786 0 50 FDAA COCCN1C[C@H](C(=O)NCc2cnn(Cc3ccccc3)c2)CCC1=O 12073771 AHWMDQAYAGPGNX-GOSISDBHSA-N 370.453 1.433 0 50 FDAA CC(C)n1cc(CNC(=O)[C@@H]2CCC(=O)N(CCc3ccccn3)C2)cn1 12318763 GMEAYBDLOUYBNU-QGZVFWFLSA-N 369.469 1.957 0 50 FDAA COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC)[C@@H]1c1ccc(OC)cc1 12384314 KWCBKJHLPZHEKH-ADAWSYLGSA-N 350.367 1.081 0 50 FDAA O=C(c1cn(C[C@H]2CCCO2)nn1)N1CCN(C2CCCCC2)C(=O)C1 12440554 XWQPIYAGBSTQFS-OAHLLOKOSA-N 361.446 1.074 0 50 FDAA CCCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCO2)ccc1OC 13945935 XNDHTGQLNUHHMG-ZDUSSCGKSA-N 356.444 1.292 0 50 FDAA CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@H](N(C)CCO)CC2 14752855 ZWNGSUVQSXRJLB-MRXNPFEDSA-N 362.518 1.947 0 50 FDAA CN(Cc1cn(C)nc1-c1ccc2c(c1)OCCO2)C[C@H]1COCCO1 14953847 YHXWFBAWNRSFAH-INIZCTEOSA-N 359.426 1.706 0 50 FDAA Cc1ccc2nc(N3C[C@@H](C(=O)NCc4nc(O)n[nH]4)CC3=O)sc2c1 1857697638 FWZOWMLHIUVGNJ-VIFPVBQESA-N 372.410 1.098 0 50 FDAA O=C(NCc1ccccn1)[C@@]12CCCCN1C[C@@H](NC1CCOCC1)C2 1857704544 WQKARHGDJJCSDL-ICSRJNTNSA-N 358.486 1.463 0 50 FDAA O=C([C@H]1CCc2ncnn2C1)N1CCCN(C2Cc3ccccc3C2)CC1 1857726820 DOPXNPLTCVNHIT-SFHVURJKSA-N 365.481 1.542 0 50 FDAA O=C(Cc1cn2ccsc2n1)N1C[C@@H]2CC[C@H]1CN(c1cnccn1)C2 212810470 DXKIKHQGMRUWFL-HIFRSBDPSA-N 368.466 1.856 0 50 FDAA CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)c2oc(C)cc2C)cn1 328631030 QMANRJYZIUUSEQ-CQSZACIVSA-N 351.428 1.725 0 50 FDAA C[C@H](NC(=O)c1cn(CCNC(=O)c2ccccn2)nn1)c1cccs1 11972029 BKYYIYBONUAODF-LBPRGKRZSA-N 370.438 1.656 0 50 FDAA CS(=O)(=O)N1C[C@@H]2CN(Cc3ccc(Cl)s3)C[C@]2(C(=O)O)C1 247542470 SPZHGTCJIXPMLK-ZANVPECISA-N 364.876 1.180 0 50 FDAA Cc1cc(C(=O)N2C[C@@H]3CN(C4CCOCC4)C[C@]3(C(=O)O)C2)c(C)o1 247817198 DTCIKXRMJWDBGJ-LIRRHRJNSA-N 362.426 1.534 0 50 FDAA CC(=O)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1cnc(CN2CCCC2)s1 247948935 PYOBPIAYNAVFOY-CABCVRRESA-N 362.499 1.822 0 50 FDAA O=C1CC[C@H](C(=O)N2CCN(c3cc(-c4ccccc4F)[nH]n3)CC2)N1 364384712 MNODPGHKUYSIOY-CQSZACIVSA-N 357.389 1.143 0 50 FDAA CCC[C@H](NS(=O)(=O)c1ccc(OC)cc1Br)C(=O)O 262493582 VQABCNFHXIUFER-JTQLQIEISA-N 366.233 1.989 0 50 FDAA CCOc1ncccc1C(=O)N1CC[C@H](c2cc(O)nc(N(C)C)n2)C1 864842544 YIIRCOKDSLXPBS-LBPRGKRZSA-N 357.414 1.672 0 50 FDAA Cc1cc(C)n(-c2ccnc(N[C@@H]3CCN(S(C)(=O)=O)C[C@H]3C)n2)n1 1875273637 WUIMYSGNDDTFGT-BXUZGUMPSA-N 364.475 1.361 0 50 FDAA C[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CS(=O)(=O)N1CCCO1 1875339354 GKVAAKCTTAXWPO-ZBFHGGJFSA-N 368.455 1.858 0 50 FDAA CCn1nccc1C(=O)NC1CN(C(=O)c2cc(C)cc3c[nH]nc23)C1 1875338761 KUDJZSRZDZYISZ-UHFFFAOYSA-N 352.398 1.342 0 50 FDAA CCn1ccc(CNC(=O)[C@H]2[C@H]3CC[C@@]2(c2ccnn2CCOC)C3)n1 1875396140 WWRIEVJALYCILX-YJLNNSPDSA-N 357.458 1.730 0 50 FDAA N[C@H](Cc1ccc(C(F)F)cc1)C(=O)N[C@@]1(c2ncccn2)CCOC1 1875404852 YBCPOVXGSZXCIF-KDOFPFPSSA-N 362.380 1.716 0 50 FDAA CCN1CCO[C@@H](CNc2nccn3nc(C)cc23)[C@@H]1c1nccn1C 886081879 AQXGBLZFUCLOJV-JKSUJKDBSA-N 355.446 1.645 0 50 FDAA Cn1cnnc1C[C@@]1(O)CCCN(Cc2cnn(-c3ccccc3)c2)C1 886088937 RMHHFQQEVYBFAO-IBGZPJMESA-N 352.442 1.570 0 50 FDAA CCN1C(=O)CC[C@H](CNC(=O)CCn2cccn2)[C@H]1c1nccn1C 886027127 GRZSVAULMAWGDK-PBHICJAKSA-N 358.446 1.123 0 50 FDAA O=C1CC[C@@H](C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)CN1 928122317 SFYHOCHXMZZJKV-RBSFLKMASA-N 369.387 1.692 0 50 FDAA O=C(Cn1nnc(-c2ccccc2)n1)N1CCN(c2ccc(F)cc2)CC1 1076571 GXUJPGJLHVOSJK-UHFFFAOYSA-N 366.400 1.828 0 50 FDAA C[C@H]1CN(c2ncnc3c2CCCCN3)CCN1c1ccc2nncn2n1 2325780422 DEVGJJGLVGTVLK-ZDUSSCGKSA-N 365.445 1.378 0 50 FDAA Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2[C@H](C(=O)O)[C@@H]2CO1 2325798997 NCNIZPSVXCEQTD-FKKJATDVSA-N 357.410 1.303 0 50 FDAA COC1([C@H](N)C(=O)N(C)Cc2ccccc2N2CCOCC2)CCCC1 2325801098 VWQZKIICDKUNJS-GOSISDBHSA-N 361.486 1.768 0 50 FDAA COc1ccc2c(c1)[C@@](CO)(NC(=O)[C@H]1CC(=O)Nc3ncccc31)CC2 2325823054 DASOPUILAYTNRW-MGPUTAFESA-N 367.405 1.466 0 50 FDAA COc1ccc2sc(NC(=O)NCc3nc(C(C)(C)O)n[nH]3)nc2c1 2325829846 UMKNBSKVNKIVEJ-UHFFFAOYSA-N 362.415 1.972 0 50 FDAA Cn1nnnc1N1CC[C@@](CNC(=O)C(C)(C)C(F)F)(C(C)(C)C)C1 2325860785 UFNNDGVIVWHYOI-INIZCTEOSA-N 358.437 1.860 0 50 FDAA O=C1NCC[C@@H]2CCCN(S(=O)(=O)c3cnn(-c4ccccc4)c3)[C@@H]12 882815440 ICPLKYFFSGGHMQ-XJKSGUPXSA-N 360.439 1.162 0 50 FDAA COc1cc(C(=O)OCCNC(=O)c2cccnc2)cc(OC)c1OC 1817050 WAGSXTLWGPJWHQ-UHFFFAOYSA-N 360.366 1.694 0 50 FDAA O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)NC1CC1 2339969 BPIQIPFIDRQROJ-UHFFFAOYSA-N 358.847 1.782 0 50 FDAA O=C1c2ccccc2C(=O)N1OCCON1C(=O)c2ccccc2C1=O 2900674 CDKMESCTNMNHID-UHFFFAOYSA-N 352.302 1.442 0 50 FDAA in-vitro O=C(NCc1cccc2ncsc12)c1cnc(N2CCOCC2)nc1 2356147282 PILPBYJTSGSYOY-UHFFFAOYSA-N 355.423 1.853 0 50 FDAA O=C(NS(=O)(=O)c1ccc(C(F)(F)F)cn1)[C@@H]1C[C@H]2CC[C@H]1O2 225441265 NYEOFIOFQUHFPN-OPRDCNLKSA-N 350.318 1.473 0 50 FDAA CCN1CCN(CC(=O)N(CCN(C)C)Cc2ccc(C)s2)CC1 55325268 COAUWNFYVPXMJT-UHFFFAOYSA-N 352.548 1.584 0 50 FDAA Cc1cc(C)cc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3C(C)C)CC2)c1 55342735 RSGNGEMICLCKFX-LJQANCHMSA-N 372.513 1.551 0 50 FDAA CN(C)C(=O)Cn1c(=O)n(Cc2ccc(F)cc2)c2ccc(C(=O)O)cc21 55325910 WDWXKJXERNARSO-UHFFFAOYSA-N 371.368 1.777 0 50 FDAA CN1CCC[C@@H]1CCN1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 248034425 KXPZKQLRVAYPEN-QUCCMNQESA-N 356.514 1.894 0 50 FDAA Cn1c(=O)[nH]c(=O)c2[nH]c(CCC(=O)Nc3cccc4[nH]ccc34)nc21 116692853 PBMGKYBFJLEYGK-UHFFFAOYSA-N 352.354 1.003 0 50 FDAA biogenic CCc1ccc(CN2C[C@H]3[C@@H](C2)OC(=O)N3CCCN2CCOCC2)cc1 67757757 RUZYIDRMRVLWAD-VQTJNVASSA-N 373.497 1.976 0 50 FDAA Cc1c(NCc2nnc3n2CCOC3)cccc1S(=O)(=O)NC1CC1 435669225 JPBKNWTWAKPIJR-UHFFFAOYSA-N 363.443 1.170 0 50 FDAA Cc1ccc2nc(SCC(=O)N3Cc4cnn(CCO)c4C3)[nH]c2c1 67851956 XGNXBDPHIMDJRV-UHFFFAOYSA-N 357.439 1.695 0 50 FDAA CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccc(N(C)C)nc2)C1 330571990 NARZRJKYEBQZGN-STQMWFEESA-N 358.364 1.819 0 50 FDAA O=C(NCCc1nc(-c2ccccn2)no1)c1cc2c([nH]c1=O)CCC2 215471640 LWMINVRSOYYZAQ-UHFFFAOYSA-N 351.366 1.281 0 50 FDAA CCNc1ncc(CN2CCc3nnc(Cc4cccnc4)n3CC2)cn1 72165397 ISKPZVQDRUKTRS-UHFFFAOYSA-N 364.457 1.544 0 50 FDAA CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3c(F)cccc3F)[C@H]2SC1 6393639 FHBYUEYAUPXULO-IINYFYTJSA-N 354.334 1.337 0 50 FDAA Cc1noc([C@@H]2CC[C@H](CNS(=O)(=O)c3cn(C(C)C)cn3)O2)n1 328609362 CYZVMKQVYUPBGJ-NEPJUHHUSA-N 355.420 1.354 0 50 FDAA Cc1nc(C)n(C2CN(C(=O)c3sc(-c4ncccn4)nc3C)C2)n1 328770463 IXWSVJQHPIJFFN-UHFFFAOYSA-N 355.427 1.814 0 50 FDAA CCCC[C@H]1C(=O)N(C)CCN1S(=O)(=O)N(C)Cc1ccccc1 77486714 LWYIQTUUAQFLNJ-INIZCTEOSA-N 353.488 1.696 0 50 FDAA CC1CCN(Cc2cc3n(n2)CCN(C(=O)CCCn2cncn2)C3)CC1 72411674 WAHLWIQKZSNPAN-UHFFFAOYSA-N 371.489 1.529 0 50 FDAA C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)cc1 253428803 LCIQKJFQDXXGHJ-UOVKNHIHSA-N 350.440 1.444 0 50 FDAA CCn1nc(C)cc1C(=O)Nc1ccc(N2CCC[C@H](C(N)=O)C2)nc1 154175864 NSOUPQNGQFGJKY-ZDUSSCGKSA-N 356.430 1.560 0 50 FDAA CC(=O)[C@@](C)(O)CN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 332404998 WTSYNCHYDXAMNR-ICSRJNTNSA-N 360.502 1.256 0 50 FDAA C[C@@H](C(=O)N1CCCCC1)N1CCN(C(=O)c2cscn2)[C@@H](C)C1 332472465 NOUPSFTVFHKPQR-KBPBESRZSA-N 350.488 1.690 0 50 FDAA CCCn1ccnc1CN1CCN(CC(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 72426608 RZSJHANPGDKHLK-CVEARBPZSA-N 354.520 1.232 0 50 FDAA NC(=O)c1ncccc1C(=O)N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 365509010 LNOBFBKTTHPGBJ-GOSISDBHSA-N 359.813 1.654 0 50 FDAA CCCN1CCN(C(=O)c2ccc(Cl)cn2)[C@H]2CS(=O)(=O)C[C@H]21 77356190 BBPRJHQANRSRIE-KGLIPLIRSA-N 357.863 1.068 0 50 FDAA CS(=O)(=O)C[C@H]1CCCN(C(=O)NC[C@H]2CCCCN2C2CC2)C1 332994610 XEJHWQJNCIIBGK-GOEBONIOSA-N 357.520 1.470 0 50 FDAA C[C@H](Nc1nc(N)nc2c1CCN(C(=O)N(C)C)CC2)c1cccnc1 72463521 QHPZLFUAYHHYQW-LBPRGKRZSA-N 355.446 1.709 0 50 FDAA COc1ccc(-c2nc3ccccn3c2CN2CCN[C@H](C(=O)O)C2)cc1 71747649 NTOVWFWFURJUOG-INIZCTEOSA-N 366.421 1.868 0 50 FDAA CCOCCn1c(=O)[nH]c2cc(C(=O)NCc3ccnc(C)c3)ccc21 77436326 QLSLKNZCKADJGM-UHFFFAOYSA-N 354.410 2.000 0 50 FDAA CC(C)(CN1CCn2nc([C@@H](O)c3ccccc3)cc2C1)N1CCOCC1 218888785 HABFONATBZRFHA-FQEVSTJZSA-N 370.497 1.891 0 50 FDAA C[C@@H](O)c1cn(CC(=O)N(C)CC2CCN(c3ccncc3)CC2)nn1 371339070 LWABPJZEEXMWBP-CQSZACIVSA-N 358.446 1.101 0 50 FDAA C[C@@H]1C(=O)[C@H](C)[C@@H]2N(C(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@@]23O4)[C@@H]1c1ccco1 36384120 LXIQMFKOABADKQ-JSCRCERXSA-N 357.362 1.411 0 50 FDAA biogenic Cc1cc(N2CCN(c3cc(C4CC(N)C4)nc(N)n3)CC2)cc(C)n1 219471911 FKXDHDVNKLNWFQ-UHFFFAOYSA-N 353.474 1.602 0 50 FDAA C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C)CCN1S(C)(=O)=O 283392411 DYKCVEAUWNODBP-JTQLQIEISA-N 370.866 1.001 0 50 FDAA CC(C)CN(C)CCCN1CC2(CCN(C(=O)CCN)CC2)OC1=O 77470296 QLBXLMXFIJAUDC-UHFFFAOYSA-N 354.495 1.127 0 50 FDAA CN(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)c1cccc(-c3cn[nH]c3)c1)C2 71479429 VIJKNQJWZNJHJI-UHFFFAOYSA-N 364.409 1.425 0 50 FDAA Cc1cccc(-c2ncc(CN3C[C@H]4C(=O)NC[C@@]4(C(=O)O)C3)cn2)c1 72476237 OHPVKFITGXKPPN-HNAYVOBHSA-N 352.394 1.085 0 50 FDAA O=C(CCCc1c[nH]c2ccccc12)N1CCN(CCn2cncn2)CC1 222603515 KCGLBAMEBREADJ-UHFFFAOYSA-N 366.469 1.927 0 50 FDAA Cc1cc(C)c(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(CO)cc2)c(=O)[nH]1 222338081 QQKWRTRFYSUCIK-IAGOWNOFSA-N 372.421 1.450 0 50 FDAA Cc1cc(-c2ccc(C(=O)N3CCN([C@@H]4CCNC4)CC3)cc2)cnc1N 426376567 UDOFESYUCLULKC-LJQANCHMSA-N 365.481 1.759 0 50 FDAA Cc1ccc(N2CCN(C(=O)CN(C)Cc3ccccn3)CC2=O)cc1 82083613 LYHDPOMWOZJRGP-UHFFFAOYSA-N 352.438 1.697 0 50 FDAA Cc1cc(C)nc(-c2ccc(C(=O)N3CCNC(=O)[C@H]3CCO)cc2)n1 426523355 DCLVTLQAVHZIBM-MRXNPFEDSA-N 354.410 1.083 0 50 FDAA O=C1C[C@@H](C(=O)N2CCN(C3CCCC3)CC2)CN1Cc1ccccn1 47630788 OXAOQGSYODETEG-MRXNPFEDSA-N 356.470 1.517 0 50 FDAA Nc1ncc(-c2cccc(C(=O)NCc3cc4n(n3)CCCNC4)c2)cn1 426534363 CYUQSQDWJUUDGE-UHFFFAOYSA-N 363.425 1.346 0 50 FDAA COCC(=O)NCc1cc2n(n1)CCCN(Cc1nccn1C(C)C)C2 82157325 AORDUESYAAWVSZ-UHFFFAOYSA-N 360.462 1.329 0 50 FDAA COCCn1cnnc1CN(C)C(=O)c1ccc(-c2c[nH]ccc2=N)cc1 426544850 OQDXWMUMTWUQAX-UHFFFAOYSA-N 366.425 1.671 0 50 FDAA COc1ccc(CNC(=O)N2CC[C@H](CS(C)(=O)=O)C2)cc1Cl 292477678 FFVPLKZZIKUTSF-LBPRGKRZSA-N 360.863 1.925 0 50 FDAA O=C1COc2cc(C(=O)N3CCC[C@@H](c4cc(=O)[nH]cn4)C3)ccc2N1 97425707 RDYGHIBURAQJKV-GFCCVEGCSA-N 354.366 1.121 0 50 FDAA Cc1nn(C)c2nc(NCC[C@H]3CCCCN3S(C)(=O)=O)sc12 96152577 UNSCQVVOWIWDHU-LLVKDONJSA-N 357.505 1.954 0 50 FDAA O=C(c1c[nH]c(=O)[nH]c1=O)N1CCC[C@@H](c2nccn2CC2CCC2)C1 95368917 KDHINNBIYBYBCE-CYBMUJFWSA-N 357.414 1.080 0 50 FDAA CC[C@]1(C(=O)O)CCCN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)C1 91695734 QQCYNOKXIAOYSM-KRWDZBQOSA-N 353.440 1.736 0 50 FDAA O=C(O)[C@@H]1CN(C(=O)CCCn2cncn2)C[C@H]1c1ccc2c(c1)OCO2 91305017 IJFGSNAKFPSKMK-UONOGXRCSA-N 372.381 1.114 0 50 FDAA Cn1c(Cn2cccn2)nnc1[C@H]1CCCN(C(=O)c2ccccc2O)C1 95389035 DCZCYEMMRQWFNP-AWEZNQCLSA-N 366.425 1.785 0 50 FDAA Cc1nc(C)n(C[C@@H](C)C(=O)N(C)Cc2nc(-c3ccncc3)no2)n1 91935186 BSANHINFRZGDFW-LLVKDONJSA-N 355.402 1.635 0 50 FDAA CCCN1CCc2nc[nH]c2C12CCN(C(=O)Cn1nc(C)cc1N)CC2 95530281 RVVIEKHJTNRCMW-UHFFFAOYSA-N 371.489 1.283 0 50 FDAA O=C(Nc1cc(F)ccc1F)N1CCC(N2CCN(CCO)CC2)CC1 96152330 BFIGAYIBTFIJIK-UHFFFAOYSA-N 368.428 1.571 0 50 FDAA Cc1nc2n(c1C(=O)N(C)C)CCN(C(=O)[C@H]1COc3ccccc3C1)C2 91452155 MMJLWARLKVSFLR-OAHLLOKOSA-N 368.437 1.487 0 50 FDAA Cc1cc(C(=O)N2CCC(c3nnc(Cn4ccnc4)n3C)CC2)on1 91586229 FWJHGMAQCWCLRC-UHFFFAOYSA-N 355.402 1.376 0 50 FDAA Cc1cnc(CN2C[C@]3(CCCN(C(=O)COC(C)C)C3)CCC2=O)cn1 91320476 VMGFCNVFIHRMDA-HXUWFJFHSA-N 374.485 1.941 0 50 FDAA COc1cc(C)cc([C@H](C(=O)O)N2CCN(c3cnccn3)CC2)c1OC 95368099 LOCKMVWCCASPGB-QGZVFWFLSA-N 372.425 1.750 0 50 FDAA CC(C)[C@H]1CN(Cc2cccnc2)C[C@@H]1NC(=O)CCS(C)(=O)=O 91493167 IGULFSLCHONAOL-CVEARBPZSA-N 353.488 1.089 0 50 FDAA Cc1cc(S(=O)(=O)NCCNC2CCN(C3CC3)CC2)c(C)s1 297292310 APKHCCLVSIVXMW-UHFFFAOYSA-N 357.545 1.860 0 50 FDAA CC[C@@H](C)[C@@H](CO)NC(=O)Cn1nc(-c2ccc(OC)cc2)ccc1=O 253397443 BLEFVZIOTQFODH-CXAGYDPISA-N 359.426 1.442 0 50 FDAA CC(C)(C)c1nc2ncccn2c1-c1ccc(C(=O)NCC(N)=O)cc1 534651642 PAAFFVRMNRKJGW-UHFFFAOYSA-N 351.410 1.909 0 50 FDAA Cc1cc(-c2ccc(C(=O)N[C@H]3CCOC3)cc2)nc(N2CCOCC2)n1 534655090 IWGYJNKSGXYTJS-KRWDZBQOSA-N 368.437 1.807 0 50 FDAA Cc1nnnn1CCC(=O)N1CCN(c2nsc3ccccc23)CC1 299786889 ODDKTQFLVLRZOY-UHFFFAOYSA-N 357.443 1.330 0 50 FDAA CN(Cc1cc(C2CC2)on1)c1cc([C@@H]2CCOC2)nc(NCCO)n1 299780713 BGYNMOTWYJVQEB-CYBMUJFWSA-N 359.430 1.887 0 50 FDAA O=C([C@@H]1CCCN1C(=O)C1CCCCC1)N1CCN(c2nc[nH]n2)CC1 299775600 FJJZRPIARYFHGY-HNNXBMFYSA-N 360.462 1.025 0 50 FDAA COCCNCc1cc2ccc(C)cc2nc1N1CCN(CCO)CC1 299765426 ATAOKFHFEFFAQF-UHFFFAOYSA-N 358.486 1.394 0 50 FDAA O=C(NCc1cc(-c2ccccc2Cl)no1)N1CCN(CCO)CC1 584895129 IALXREVJWMVIKF-UHFFFAOYSA-N 364.833 1.815 0 50 FDAA CCn1nc(C)c([C@@H](C)NS(=O)(=O)c2cc(C(N)=O)cs2)c1C 670458574 VUKBTOXBQVBWRA-SECBINFHSA-N 356.473 1.720 0 50 FDAA O=C(CCCn1cncn1)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1 1565516215 RRQAJHNOXDFAPP-HIFRSBDPSA-N 374.470 1.164 0 50 FDAA CC[C@@H](C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1)n1cccn1 952974996 XMIWXUWCPRENFB-KRWDZBQOSA-N 372.425 1.711 0 50 FDAA CC(C)c1noc([C@H](NC(=O)NCc2cnn(C)c2)C2CCOCC2)n1 275466596 SFIWIHSEBGKNAJ-CQSZACIVSA-N 362.434 1.894 0 50 FDAA Cn1cc(N2CCN(c3cncc(OC4CCCCC4)n3)CC2=O)cn1 302264255 FDERPWGYONOTEU-UHFFFAOYSA-N 356.430 1.775 0 50 FDAA NC(=O)c1noc([C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)n1 170616446 XBWDDTBGSAHOCC-JTQLQIEISA-N 356.791 1.348 0 50 FDAA O=C1[C@H](N2CCS(=O)(=O)CC2)CCCN1Cc1ccc(F)cc1F 189106044 VHTJILHRDPELNA-OAHLLOKOSA-N 358.410 1.186 0 50 FDAA C[C@@H]1NC(=O)N(c2ccccc2NC(=O)CCN2CCCCCC2=O)C1=O 1506406876 RVQIXMXBYNWVKF-ZDUSSCGKSA-N 372.425 1.863 0 50 FDAA Cc1noc(CN2CCC[C@@H](CNC(=O)c3cc(C(F)F)nn3C)C2)n1 1506413002 QGYSELLQEYYTEJ-NSHDSACASA-N 368.388 1.691 0 50 FDAA CCn1ccc(C(=O)N2C[C@H](c3cccc(F)c3)[C@@H](C(=O)O)C2)cc1=O 216832248 RPRVHIMJUJJFBO-CVEARBPZSA-N 358.369 1.948 0 50 FDAA CCc1cc(NCc2cccc(C(=O)NC)c2)nc(N2CCOCC2)n1 1704324982 INJGOJPMITZRCD-UHFFFAOYSA-N 355.442 1.847 0 50 FDAA Cc1cc(C(=O)N2C[C@H]3CN(C(=O)c4cccn4C)C[C@@]3(CO)C2)c(C)o1 1772712261 QICBPCJRXFMSLT-MGPUTAFESA-N 371.437 1.442 0 50 FDAA Cc1cc(C(=O)N2CCCN(CCn3cc(Cl)cn3)CC2)nn1C 1772701393 KQPFVEYUUYWQQZ-UHFFFAOYSA-N 350.854 1.427 0 50 FDAA CCC(=O)N1C[C@@H]2CN(C(=O)c3onc4ncccc34)C[C@]2(CN(C)C)C1 1772704071 RNDOAWMXIWHTAD-YJYMSZOUSA-N 371.441 1.095 0 50 FDAA O=C(c1cccs1)N1CCC(N2C[C@@H]3COCC[C@]3(CO)C2)CC1 1772703474 XGZJAVMNNPGGPQ-RDTXWAMCSA-N 350.484 1.684 0 50 FDAA COCCN1CCC[C@H](C(=O)N2CCCN(C(=O)C3CCCC3)CC2)C1 1772708128 BVXOOBKLDCITAK-SFHVURJKSA-N 365.518 1.596 0 50 FDAA O=C(C1CCC1)N1C[C@@H]2CN(Cc3ccccc3OCCO)C[C@]2(CO)C1 1772805032 GVIMTVCTUPZBFN-GHTZIAJQSA-N 374.481 1.111 0 50 FDAA COc1ccc(C2(CNC(=O)C[C@@H]3C(=O)NCCN3C)CCCC2)cc1 12028664 WIBNHFCYDJHJCR-QGZVFWFLSA-N 359.470 1.444 0 50 FDAA COc1ccc(CNCCc2c[nH]cn2)c(OC[C@@H](O)CN2CCCC2)c1 12196472 HPSRQGSAUIJNAC-SFHVURJKSA-N 374.485 1.586 0 50 FDAA O=C(CCn1cnnn1)N1CCC[C@](CO)(CCCc2ccccc2)C1 12459154 IANOUXZHKIYYOC-LJQANCHMSA-N 357.458 1.687 0 50 FDAA Cn1nc(C(=O)NCc2cccs2)c2c1CC[C@@H](NCC1(C)COC1)C2 14539207 IKGQOSNUMUXEDO-CYBMUJFWSA-N 374.510 1.895 0 50 FDAA CC(C)(CO)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 16650737 BJKXXWWTSRNONE-UHFFFAOYSA-N 358.435 1.501 0 50 FDAA CCCCNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 16651638 IYTOMBZCQRLKBI-UHFFFAOYSA-N 354.472 1.556 0 50 FDAA CC[C@H](C)NC(=O)Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O 169752441 SNOVYXFUPXYMNU-LBPRGKRZSA-N 372.400 1.709 0 50 FDAA COc1ccc(OC)c(NC(=O)N2C[C@@H]3CCOC[C@]3(C(=O)O)C2)c1 1857669823 BTINEOIRVAGDTH-APPDUMDISA-N 350.371 1.659 0 50 FDAA C[C@@H](O)c1nc(-c2cnc3cccnn23)n(-c2ccc3c(c2)OCO3)n1 1857673282 RNFMGQMSZKVEBN-SNVBAGLBSA-N 350.338 1.759 0 50 FDAA CNC(=O)Cc1nc(-c2c(-c3ccccc3)n[nH]c2C)n(CCCO)n1 1857698784 IBRZSESCVKOXKI-UHFFFAOYSA-N 354.414 1.315 0 50 FDAA O=C1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)N1 1857707249 KETQWUJTYMKIFP-FXUDXRNXSA-N 363.845 1.249 0 50 FDAA Cc1ccc2c(c1)CCCN2C(=O)CN1CCC2(CC1)CNC(=O)CCO2 1857731081 JWKDWFDSNIIJIN-UHFFFAOYSA-N 371.481 1.645 0 50 FDAA C[C@H]1N(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)CCC12CCOCC2 408207659 SXLUYWDTVTYTHN-LLVKDONJSA-N 356.419 1.504 0 50 FDAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Nc1ccc(C(C)=O)cc1)C2 219276469 MZZRCWZNBQZCPK-WBVHZDCISA-N 359.426 1.990 0 50 FDAA CN(C)CCOc1cc(CNC(=O)[C@H]2Cc3cc(F)ccc3O2)ccn1 124022040 LUPVKXWZPRCNQG-QGZVFWFLSA-N 359.401 1.781 0 50 FDAA Cn1c(CCN2CCC[C@H](C(=O)N3CCOCC3)C2)nc2ccccc21 364748514 LWNSXTZLHMMPPF-INIZCTEOSA-N 356.470 1.687 0 50 FDAA COC(=O)CCc1cncc(NC(=O)[C@]2(N)COc3ccccc3C2)c1 952879540 JOOBURSOPKHOCX-LJQANCHMSA-N 355.394 1.458 0 50 FDAA Nc1nnc([C@@]23COC[C@@H]2CN(C(=O)c2cccn2C2CCCC2)C3)o1 952848645 FVRJOKGFWXGHHM-SGTLLEGYSA-N 357.414 1.609 0 50 FDAA CC(C)[C@@H](C)NC(=O)C1CC2(C1)C[C@@H](NC(=O)C1CC1)CCS2(=O)=O 952876457 RDJQSWYPCNTJGP-JHSBQLIOSA-N 370.515 1.399 0 50 FDAA CN1CCC(N2CCC(CCNC(=O)c3ccc(C(N)=O)[nH]3)CC2)CC1 1875268296 LDULHCNZUJHHHY-UHFFFAOYSA-N 361.490 1.040 0 50 FDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)C3CCN(c4cccnn4)CC3)n[nH]c21 1875393281 CJZGQJAHZWSCDF-OLZOCXBDSA-N 370.457 1.963 0 50 FDAA Cc1ccc(C(=O)NC[C@]23CCC[C@H]2CN(c2ccc4nnnn4n2)C3)o1 1875312472 MUKBWFAALUDCJU-UGSOOPFHSA-N 367.413 1.457 0 50 FDAA O=C1NC(=O)[C@]2(CCCCC[C@H]2NC(=O)c2cnc3ccccc3n2)N1 1875328971 VPGFYAXCXCYEGW-RDTXWAMCSA-N 353.382 1.271 0 50 FDAA CCn1nc2c(c1C(=O)N1CCN(c3ncc[nH]3)CC1)C[C@H](C)O[C@@H]2C 1875314073 GFYIQKWSJKLYIX-QWHCGFSZSA-N 358.446 1.611 0 50 FDAA COc1ccc(Cl)cc1CNC(=O)CN1CCCC[C@@H](OC)C1=O 886088801 MVGOIDKEFLYEGW-OAHLLOKOSA-N 354.834 1.992 0 50 FDAA Cc1cccn(CC(=O)N2CCO[C@H](C)[C@H]2c2nc(C3CC3)no2)c1=O 886033194 OVNJBXZZHDVSAU-DOMZBBRYSA-N 358.398 1.406 0 50 FDAA COc1ccncc1CNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccnn1C 886078140 NUULKOXZTIROME-GUYCJALGSA-N 357.414 1.050 0 50 FDAA Cc1[nH][nH]c2ncnc(=NCc3ccc(C(=O)N4CCN(C)CC4)cc3)c1-2 2325780452 HPMASPRJFQJVMP-UHFFFAOYSA-N 365.441 1.035 0 50 FDAA O=C(N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1)[C@]1(O)CCCNC1 2325789468 RPUUPMLYZPNNJE-SFHVURJKSA-N 360.845 1.729 0 50 FDAA CCS(=O)(=O)NCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C)C(C)(C)C1(C)C 2325794973 YFYBCPOKCVJMSI-KBPBESRZSA-N 371.547 1.283 0 50 FDAA O=C(OC[C@@H]1NC(=O)[C@@H]2CCCN2C1=O)c1cncc2cc(Cl)ccc12 2325799637 MHMWXODYHNJLMJ-GJZGRUSLSA-N 373.796 1.534 0 50 FDAA O=C(C[C@@H]1CCOC1)NC[C@@H]1CC12CCN(C(=O)c1cnccn1)CC2 2325824809 QSZXKPUGIINJHZ-GJZGRUSLSA-N 358.442 1.262 0 50 FDAA CN(CCCNC(=O)[C@@H]1Cc2ccc(F)cc21)C(=O)Cc1ccn(C)n1 2325824911 VEXFXLXWLOGJTQ-QGZVFWFLSA-N 358.417 1.406 0 50 FDAA O=C1Cc2c(cccc2C(=O)NCCN2C(=O)COc3ccccc32)N1 2325854050 MARPMUSAPCWXTF-UHFFFAOYSA-N 351.362 1.337 0 50 FDAA C[C@@H](C(=O)N1CC=C(CNC(=O)[C@H](C)C(F)(F)F)CC1)n1ccnc1 2325879753 GPKJKQJQYUVVSK-RYUDHWBXSA-N 358.364 1.917 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)C1 2325888785 ZFDJCPLEYNQNNY-ZDUSSCGKSA-N 365.455 1.730 0 50 FDAA CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)O 1576659 RXVJYWBNKIQSSP-ZWKOTPCHSA-N 354.406 1.546 0 50 FDAA O=C(CCC1CCCC1)N1CCN(C[C@H](O)CN2CCCC2=O)CC1 111683305 XJHOGGRKYZAPOD-KRWDZBQOSA-N 351.491 1.084 0 50 FDAA O=C(NCc1cn2c(n1)SCC2)[C@@H]1[C@H]2CN(Cc3ccccn3)C[C@H]21 102712497 FGJZCAIOEHDWJL-ZSHCYNCHSA-N 355.467 1.378 0 50 FDAA CCc1cccc(OCCCN(C)C(=O)COc2ccc3nncn3n2)c1 55271388 SNZJETWFQJBQPP-UHFFFAOYSA-N 369.425 1.993 0 50 FDAA CCCN1CC[C@H](CNC(=O)N2CCN(C(=O)c3ccccc3)CC2)C1 54510466 VZNRNIJTUBGNFB-QGZVFWFLSA-N 358.486 1.886 0 50 FDAA O=C(N[C@H](CO)c1cccnc1)c1cc(Cn2cnc3ccccc32)[nH]n1 67804775 QXXCRRRJKWUKJZ-QGZVFWFLSA-N 362.393 1.666 0 50 FDAA CCOC(=O)c1[nH]c(=O)[nH]c1[C@@H]1CC(=O)Nc2c1cnn2C(CC)CC 65409416 JQFNXMYYZOKPTP-SNVBAGLBSA-N 361.402 1.911 0 50 FDAA CC(C)Oc1cccc(C(=O)NC[C@H]2CCN(c3cnn(C)c(=O)c3)C2)c1 23159373 PKHKOSZDAKJSSX-OAHLLOKOSA-N 370.453 1.824 0 50 FDAA Cc1nonc1CN(C)C[C@]1(O)CCCN(CCCc2ccccc2)C1=O 67946700 AWUJMVJRVZHJFJ-HXUWFJFHSA-N 372.469 1.796 0 50 FDAA CN(Cc1nncn1C)c1ccc(C(=O)NCCCc2ccccn2)cn1 67743096 RGNRJQDJODGSNP-UHFFFAOYSA-N 365.441 1.604 0 50 FDAA Cc1ccc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2cccnc2)o1 11937583 ZORQMJRNTABXDA-QGZVFWFLSA-N 356.426 1.332 0 50 FDAA O=C([C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)N1CCn2ncnc2C1 474855999 XQKZPVQZMWCRTL-JTQLQIEISA-N 363.780 1.466 0 50 FDAA Cn1ccnc1CN1CCC(C(=O)NC[C@@](C)(O)c2cccs2)CC1 172416592 JUZMFVQCDPIRQN-GOSISDBHSA-N 362.499 1.718 0 50 FDAA CCN(CC)C(=O)[C@@H]1CCCN(C(=O)CCc2cc3n(n2)CCNC3)C1 72418671 IDYZFRXDXNVMQH-OAHLLOKOSA-N 361.490 1.026 0 50 FDAA O=C(CCc1ccc(=O)[nH]n1)N1CCN([C@@H]2CCc3ccccc3C2)CC1 72158981 DKXWGYIPWHGEFX-LJQANCHMSA-N 366.465 1.404 0 50 FDAA Cc1cc(=O)nc(-c2ccc(NS(=O)(=O)c3cnn(C)c3C)cc2)[nH]1 427206911 VFQPCOOIQPNWSV-UHFFFAOYSA-N 359.411 1.588 0 50 FDAA Cc1ccc(N2CCC[C@@H](c3nnc(CN4CCC(O)CC4)n3C)C2)nn1 72429189 QKUCGPMNFUKKAV-OAHLLOKOSA-N 371.489 1.254 0 50 FDAA Cc1n[nH]c(C)c1CCC(=O)N1CCc2c(nc(N(C)C)nc2N(C)C)C1 71750452 AGIYNEAXGQZUJG-UHFFFAOYSA-N 371.489 1.466 0 50 FDAA Cc1noc(-c2ccc(N3CCN(CC(=O)N4CCCCC4)CC3)nc2)n1 361812085 DZIVZGMNEJQNSS-UHFFFAOYSA-N 370.457 1.575 0 50 FDAA O=C(NC1CC1)c1noc([C@H]2CCCN2C[C@H](O)c2ccccc2F)n1 328655993 YXLFCBYBKFMGMF-CABCVRRESA-N 360.389 1.971 0 50 FDAA CC1(C)C(=O)NC(=O)N1CC(=O)N1CC[C@@]2(CCc3ccccc3O2)C1 366459425 XYKAZAXXVGBWEK-IBGZPJMESA-N 357.410 1.313 0 50 FDAA CN1C(=O)N(CC(=O)N2CCC[C@H]2c2cc[nH]n2)C(=O)C12CCCCC2 376139633 JYBDCPVBFROIGP-AWEZNQCLSA-N 359.430 1.670 0 50 FDAA O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2)N1CCC(F)CC1 77320960 ARCDHBTVVKUZEZ-XLSPSMHOSA-N 371.412 1.324 0 50 FDAA CC(C)[C@@H](NC(=O)Cn1nc(-c2ccccc2Cl)ccc1=O)C(=O)O 71333533 VYMNVGWCVQSDQJ-MRXNPFEDSA-N 363.801 1.789 0 50 FDAA O=C(NCCF)c1cccc(S(=O)(=O)N2CCOC3(CCCC3)C2)c1 215309070 WRXHCPPAUQVCNW-UHFFFAOYSA-N 370.446 1.720 0 50 FDAA COCCCN1C[C@]2(CCCN(Cc3nc(COC)no3)C2)CCC1=O 72421790 QDXIYYSCAFORIJ-GOSISDBHSA-N 366.462 1.457 0 50 FDAA Cc1cc(F)ccc1CC(=O)N1CCN(c2ncccn2)C[C@H]1C(=O)O 71749497 QKNLZSJSWLCMNO-HNNXBMFYSA-N 358.373 1.269 0 50 FDAA O=C(NCCc1nc2c(s1)CCC2)[C@H](c1ccccc1)n1cnnn1 219862280 RURJYYMBGGTMDP-INIZCTEOSA-N 354.439 1.567 0 50 FDAA Cc1csc([C@@H](C)NC(=O)c2cc(C)nc3c2c(=O)[nH]c(=O)n3C)n1 216075895 RRBNFNVZDNVMQC-SECBINFHSA-N 359.411 1.186 0 50 FDAA O=C(NCc1ccccn1)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71762917 MGHPQSXSDQTLJU-KRWDZBQOSA-N 370.497 1.811 0 50 FDAA Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)CCc1c(C)nc(=O)[nH]c1C 129017166 DAIPHRCTYRGJOX-GOSISDBHSA-N 368.437 1.327 0 50 FDAA O=C(COc1ccccc1)NCC(=O)N1CC[C@](C(=O)O)(C(F)(F)F)C1 263102683 UESUTJVHKHDMQH-HNNXBMFYSA-N 374.315 1.047 0 50 FDAA COCCn1cncc1CN1C(=O)C2(CCNCC2)Nc2ccccc21 82097582 KCNRWYNYBZFBKE-UHFFFAOYSA-N 355.442 1.610 0 50 FDAA CC(C)(C)N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 227035583 XTWMPYDVSJKONX-YYQBIWNASA-N 371.412 1.851 0 50 FDAA O=C([C@H](c1ccccc1)n1cnnn1)N1CCC(Oc2cccnc2)CC1 223257933 YOIZTAIYNSYNTI-SFHVURJKSA-N 364.409 1.728 0 50 FDAA CN(CCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)S(C)(=O)=O 82097518 OKGUCSWHZHTBPP-UHFFFAOYSA-N 373.906 1.266 0 50 FDAA CN1CCC(CN2CCN(C(=O)Nc3nc(-c4ccco4)n[nH]3)CC2)CC1 20999211 AKNKPYKJNPURPH-UHFFFAOYSA-N 373.461 1.556 0 50 FDAA CC(C)(O)CCc1cccc(C(=O)N[C@@H]2COCC[C@@H]2OCC(=O)O)c1 220581385 UVJYWWRAKJAWPV-CVEARBPZSA-N 365.426 1.379 0 50 FDAA CC(C)N(C(=O)NCc1cc2n(n1)CCCN(S(C)(=O)=O)C2)C(C)C 82087030 AWLCTKKANAUTSU-UHFFFAOYSA-N 371.507 1.377 0 50 FDAA Cc1[nH]c(=O)c(C(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)c(C)c1Cl 222689585 NUTZNFNYPUFCGT-OLZOCXBDSA-N 354.834 1.959 0 50 FDAA COc1ccccc1N1CCN(C(=O)CCc2c(C)n[nH]c2C)CC1=O 82087858 FQFRDUZEYREQQS-UHFFFAOYSA-N 356.426 1.843 0 50 FDAA CC(=O)NCCOc1ccc(C(=O)N2CCC[C@H](c3nccn3C)C2)cc1 82137358 GJUYDEZTVWEMQA-KRWDZBQOSA-N 370.453 1.955 0 50 FDAA O=C(NCc1cc2ccccc2s1)c1cc2n(n1)C[C@@H](O)CNC2=O 426410455 HQDXPTQMJJNISE-NSHDSACASA-N 356.407 1.132 0 50 FDAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)c1cnc(-c3ccncc3)nc1)CC2 426441712 FZDFGIAKYXBIGT-TXPKVOOTSA-N 354.410 1.683 0 50 FDAA COc1ccc(C(=O)N2CCc3nc(C)nc(O)c3CC2)c(OCCN)c1 426685239 DUINTLDXLOIGKC-UHFFFAOYSA-N 372.425 1.078 0 50 FDAA NC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 95519381 BGMDHSZOJZPZIY-CQSZACIVSA-N 351.410 1.870 0 50 FDAA O=C([C@H]1CCCN(C2CCOCC2)C1)N1CCN(c2nccs2)CC1 95379359 SEFQYKQGXGRXAG-HNNXBMFYSA-N 364.515 1.683 0 50 FDAA CN1CCN(C2CCN(c3ccccc3)CC2)C[C@]12CCNC(=O)CC2 91726189 RQCMIOFKYXDMGQ-NRFANRHFSA-N 356.514 1.942 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(C)s2)CN1C(=O)CSC 96151734 URRNEKRVRWMLRO-RYUDHWBXSA-N 369.512 1.255 0 50 FDAA Cc1ccc(C(=O)N2CCC3(CCC(=O)N(CC(=O)O)C3)CC2)s1 91492971 WGBXTYSCISYXTF-UHFFFAOYSA-N 350.440 1.986 0 50 FDAA Cc1cnc(C)c(N2CCN(C(=O)C3CCN(C(=O)C4CC4)CC3)CC2)n1 92045591 KRZGCGSHTFLNEF-UHFFFAOYSA-N 371.485 1.391 0 50 FDAA CN(C)c1ccc(C(=O)N2CCC3(CCC(=O)N(CC(=O)O)C3)CC2)cc1 91747073 RWZFUTCTORNEDW-UHFFFAOYSA-N 373.453 1.682 0 50 FDAA COCCn1ccnc1[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2C)C1 91563214 KANKQZACVCLWQU-CQSZACIVSA-N 367.475 1.140 0 50 FDAA CCc1n[nH]c(C(=O)NCCCNS(=O)(=O)c2ccc(C)cc2)c1C 97785276 YGLXKHZENFHKSV-UHFFFAOYSA-N 364.471 1.687 0 50 FDAA CC(=O)N1CC[C@@H](NC(=O)c2csc(Cc3ccccc3)n2)[C@H](O)C1 244700848 JVCYRQQDRXXMEM-GDBMZVCRSA-N 359.451 1.445 0 50 FDAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2cccc(Cl)c2)C1 244700980 JXPLECUTEUEQOO-XBXGTLAGSA-N 364.833 1.746 0 50 FDAA O=c1c2ccccc2nnn1Cc1ccc(S(=O)(=O)N2CCCC2)o1 298581613 DNIZNTLPXKDCIR-UHFFFAOYSA-N 360.395 1.217 0 50 FDAA CC(C)n1cnnc1CCNC(=O)N(Cc1cocn1)Cc1cocn1 534642250 VXYIHHQSOOSKIW-UHFFFAOYSA-N 359.390 1.790 0 50 FDAA COCCCn1cnnc1[C@H](C)NC(=O)N1CCOc2ccccc2C1 534650484 MUKWMXHZKJZWEV-AWEZNQCLSA-N 359.430 1.980 0 50 FDAA O=C(CCc1nc(O)n[nH]1)N1CCN(c2nsc3ccccc23)CC1 1940197628 DLNWQBXRGUVQHM-UHFFFAOYSA-N 358.427 1.401 0 50 FDAA CO[C@@]12CC[C@@H](OCCO)C[C@@H]1N(C(=O)c1sc(N)nc1C)CC2 299797703 PZSUOPOJDGZNTA-BFQNTYOBSA-N 355.460 1.195 0 50 FDAA C[C@H](C(=O)N1CCc2ncnc(O)c2CC1)c1n[nH]c(=O)c2ccccc12 299762754 AJTQSIFUIZTFIQ-NSHDSACASA-N 365.393 1.150 0 50 FDAA Cc1ccccc1[C@]1(O)CCN(C(=O)CCC(=O)Nc2nncs2)C1 952860588 QJEFHHSRTZZOFW-KRWDZBQOSA-N 360.439 1.685 0 50 FDAA CCN1CCC[C@@]2(CCCN(S(=O)(=O)N3CCC(COC)CC3)C2)C1 952982651 ZPILRTURQDWZBI-GOSISDBHSA-N 373.563 1.788 0 50 FDAA CCn1nc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccn2)C3)cc1C 1565509892 JIESIDQZUMUGGJ-CVEARBPZSA-N 367.453 1.983 0 50 FDAA O=C(C1CCC1)N1CCC(N[C@H]2CCOC[C@@H]2Oc2ccccn2)CC1 1565515676 KBWGZAMJONWBIO-ROUUACIJSA-N 359.470 1.999 0 50 FDAA O=C(CCOc1ccccc1)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1O 1565511516 FVBDPPXLQIXHKT-OALUTQOASA-N 355.438 1.602 0 50 FDAA CCNS(=O)(=O)[C@H]1CCN(C(=O)Cc2csc3ccccc23)C1 271648969 ZGYXPZOCYCBZGN-ZDUSSCGKSA-N 352.481 1.984 0 50 FDAA CN1N=C(C(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)CCC1=O 275778294 YFPNKEWAFQJVQO-CQSZACIVSA-N 371.441 1.270 0 50 FDAA COCCO[C@@H]1C[C@H](CO)CN(S(=O)(=O)c2cc(C)c(C)s2)C1 278904037 RKYUETDXZSFUPZ-UONOGXRCSA-N 363.501 1.399 0 50 FDAA O=C(NS(=O)(=O)C[C@H]1CCCCO1)c1ccc(-c2cnco2)cc1 170617097 NGTJMBXNKVKQEH-CQSZACIVSA-N 350.396 1.970 0 50 FDAA NC(=O)[C@H]1CC(C(=O)N2CCc3ccc(F)cc32)=NN1c1ccc(F)cc1 746805234 ZESAQQBQUQFOJF-QGZVFWFLSA-N 370.359 1.974 0 50 FDAA O=C1CCCCN1CCCC(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1 1529141928 UFPPGEHPSMTHTM-YLJYHZDGSA-N 360.454 1.740 0 50 FDAA Cc1cnccc1N1CCCN(c2cc(N3CCC(O)CC3)ncn2)CC1 1529188774 CIWYIUAAFJFAEV-UHFFFAOYSA-N 368.485 1.858 0 50 FDAA Nc1cc(C(=O)N2CCCN(C(=O)CCOc3ccccc3)CC2)[nH]n1 1529145061 AJUUXEOVJJXOIF-UHFFFAOYSA-N 357.414 1.136 0 50 FDAA N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CC2)cc1 216548805 IRSYHYGAOZVCOH-CVEARBPZSA-N 359.451 1.580 0 50 FDAA O=C([C@H]1CCc2sc(-c3ccncc3)nc2C1)N1CCN(CCO)CC1 1772807600 PLQCWBHYANOFTP-HNNXBMFYSA-N 372.494 1.447 0 50 FDAA CN1CCC(N2CCC[C@@H](C(=O)NCc3cn4ccccc4n3)C2)CC1 11819208 TUDTZTDYHXYIBS-MRXNPFEDSA-N 355.486 1.757 0 50 FDAA COc1cc(CN2CCC(O)CC2)ccc1OC[C@@H](O)CN(C)C(C)C 12710251 JVQPMORSRWEYGB-SFHVURJKSA-N 366.502 1.732 0 50 FDAA CC(C)N1CCC2(CC1)C(=O)N(CC(N)=O)C(=O)N2CCc1ccccc1 14539247 FNQXZERFKDNZRV-UHFFFAOYSA-N 372.469 1.222 0 50 FDAA CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 16577773 XEYQCJFQMPECDA-UHFFFAOYSA-N 366.464 1.805 0 50 FDAA CSc1ccc(S(=O)(=O)NCC(C)C)cc1C(=O)N1CCOCC1 16648051 CNTFWGBGQUUQFR-UHFFFAOYSA-N 372.512 1.815 0 50 FDAA COCCc1noc(-c2nnn3c2CO[C@@H](c2ccc(OC)cc2)C3)n1 169758395 KHZDYTUNMIZHEU-CQSZACIVSA-N 357.370 1.797 0 50 FDAA CN1CC2(C1)CN(Cc1ccccc1OCC(=O)NC[C@@H]1CCCO1)C2 1857667394 PZWLAYPXDSLCNL-KRWDZBQOSA-N 359.470 1.108 0 50 FDAA CN(CCn1cnc2ccccc21)C(=O)c1cn(C[C@@H]2CCCNC2)nn1 1857680067 GCNULFUNBBGFSV-OAHLLOKOSA-N 367.457 1.400 0 50 FDAA Cn1cc(Cl)cc1C(=O)N1CC[C@H]2[C@@H]1CC(=O)N2C1CCOCC1 1857685117 OZMIILNIUSVIOR-KBPBESRZSA-N 351.834 1.673 0 50 FDAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)c4cc(C5CC5)nn4C)[C@@H]2CC(=O)N13 1857708768 MIZANBPEWABWKF-FCEWJHQRSA-N 358.442 1.495 0 50 FDAA CN(C)C[C@@H]1OCCN(C(=O)/C=C/c2ccccc2)[C@H]1c1cnn(C)c1 1857713302 UKFRUXKNTQGEEA-SQBFZWKISA-N 354.454 1.964 0 50 FDAA O=C(N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1)c1cn2cccnc2n1 1857719423 KTTIYVIINACPNG-SOLBZPMBSA-N 363.421 1.674 0 50 FDAA CN(C)S(=O)(=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857719594 QGKQMFNGYFCOBR-QLFBSQMISA-N 359.879 1.250 0 50 FDAA COC(=O)[C@H]1C[C@H]2CN(Cc3nccn3C)CC(=O)N2[C@H]1c1ccccc1 1857730655 TYGBUXZBPTXOLU-BXWFABGCSA-N 368.437 1.367 0 50 FDAA CNc1ccccc1C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 332526166 CJVNZYLHWFJUQG-UHFFFAOYSA-N 358.486 1.745 0 50 FDAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccc(C(=O)O)s1)C2 247823535 DVMBEIFPYHXKLK-MNOVXSKESA-N 352.412 1.156 0 50 FDAA CC(=O)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1cnc(N2CCCCC2)nc1C 247973058 ZANKXIHYWZBDMT-SJORKVTESA-N 371.485 1.858 0 50 FDAA Cc1ncsc1C(=O)N1CC[C@](Cc2ccccc2)(C(=O)O)[C@H](O)C1 1704339502 JGYIPLDTAAKTJI-RDTXWAMCSA-N 360.435 1.972 0 50 FDAA c1ncc(-c2ccnc(C3CCN(c4nccn5nnnc45)CC3)n2)cn1 952894371 NUVNOICMPBRLEM-UHFFFAOYSA-N 360.385 1.150 0 50 FDAA CCn1ncc(C(=O)N2C[C@H](c3n[nH]c(COC)n3)[C@@H](C3CC3)C2)c1C 952848117 GLFNFNQBVOMPCF-CABCVRRESA-N 358.446 1.742 0 50 FDAA Cc1ccc(C)c(C(=O)N2CCC[C@@H]2CNC(=O)[C@H]2CCCC(=O)N2)c1 1875326919 LFOTWGQHYVBDHF-NVXWUHKLSA-N 357.454 1.693 0 50 FDAA COC(=O)[C@@]1(NC(=O)[C@@H]2CSC(c3ccccc3)=N2)C[C@@H](O)C1(C)C 1875329039 ARZSAMAQFJNCQU-JCGVRSQUSA-N 362.451 1.367 0 50 FDAA Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)[C@H]3CCCC(=O)N3)C2)cc1C 1875326410 AMQWBVTVTRKOFX-DLBZAZTESA-N 357.454 1.693 0 50 FDAA CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC(C)(C)[C@@H]2c2nccn2CC2CC2)O1 888100938 CULAVOJOZVWEJK-XHSDSOJGSA-N 374.485 1.838 0 50 FDAA CN(CCn1cc(Br)cn1)S(=O)(=O)N1CCCCCC1 288482916 VMJALDQDXYBNEM-UHFFFAOYSA-N 365.297 1.698 0 50 FDAA Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)N=c2cc(C(F)F)n(C)[nH]2)C1 2325763901 BEYJIASDRUCHLI-ZWNOBZJWSA-N 368.388 1.491 0 50 FDAA O=C1CC[C@@H](CC(=O)N2CC(c3ccccc3Br)C2)C(=O)N1 2325802735 YQLZCLAOIXXRIK-JTQLQIEISA-N 365.227 1.818 0 50 FDAA Cc1cc(F)ccc1C[C@@H](CNC(=O)C[C@H]1CCCNC(=O)C1)C(=O)O 2325812905 QPUGDTMBDGTTPA-ZFWWWQNUSA-N 364.417 1.800 0 50 FDAA CC1(C)[C@@H](O)C[C@]1(N)C(=O)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1 2325849660 XAAJUKHMKWWTNH-PGQWDYDZSA-N 351.834 1.050 0 50 FDAA O=C(CCCF)NC[C@@]1(O)CCN(C(=O)c2ccc3cccnc3c2)C1 2325871534 PFCJQFREYKIVOE-IBGZPJMESA-N 359.401 1.678 0 50 FDAA Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)ccc21 814662 SXLLAYBNJIQJOU-UHFFFAOYSA-N 361.379 1.376 0 50 FDAA COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccncc3)CC2)cc1 893231 BLQJLAJBWYUQJJ-UHFFFAOYSA-N 361.423 1.237 0 50 FDAA CN(C)C[C@H]1[C@@H]2CC[C@@]3(CN(C(=O)CN(C)Cc4ccncc4)C[C@@H]13)O2 2356138234 JEPUFCYRSRQYIW-LXZJYRNTSA-N 358.486 1.081 0 50 FDAA O=C(O)Cc1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 2868652 WEQDYUGUDIPCGD-UHFFFAOYSA-N 352.346 1.939 0 50 FDAA O=C(c1ccc2nc[nH]c2c1)N1CCc2nc(C3CCOCC3)nn2CC1 2356149628 MRTXQKSJJUOHSD-UHFFFAOYSA-N 366.425 1.747 0 50 FDAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356160582 YYPYAFUGQDQVFQ-GOSISDBHSA-N 374.466 1.486 0 50 FDAA COC[C@@H]1CCN(c2ncnc3c2CCN(Cc2cncn2C)CC3)C1 107005377 VYEYPNNMQSOHKH-OAHLLOKOSA-N 356.474 1.284 0 50 FDAA Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ncc[nH]3)C2)cc1 114335383 UUDNWXCTPHFXQU-AWEZNQCLSA-N 362.455 1.435 0 50 FDAA COc1ccc(NC(=O)CC[C@@H]2NC(=O)NC2=O)c(NC(=O)C(C)C)c1 55119654 IDDKGQAXOGBAKU-LBPRGKRZSA-N 362.386 1.216 0 50 FDAA O=c1[nH]c(-c2ccc(CN3CCS(=O)(=O)CC3)cc2)nc2c1CCC2 23478960 LVWGKPLBIBTXOC-UHFFFAOYSA-N 359.451 1.156 0 50 FDAA CC[C@H]1CN(C(=O)c2cc(CN3CCC(O)CC3)on2)CCN1C(C)C 67872891 CYHAIWPUWOQSBX-HNNXBMFYSA-N 364.490 1.576 0 50 FDAA COC(=O)CCC(=O)N1CCC2(CC1)c1ccccc1[C@@H](N(C)C)[C@@H]2O 20707398 UCTVBYPSGQLYME-MOPGFXCFSA-N 360.454 1.477 0 50 FDAA COC[C@@H]1[C@H](NS(=O)(=O)c2c(C)cc(OC)c(C)c2C)[C@H]2CCO[C@@H]12 1074600149 FUMZALFYQWVREH-MUIFIZLQSA-N 369.483 1.949 0 50 FDAA CC1=NN(C(=O)Cn2cc(Br)cn2)[C@](O)(C(F)(F)F)C1 6263564 NMINIKFGLHPMPA-SECBINFHSA-N 355.114 1.505 0 50 FDAA COc1ccc(Cc2ncc3c(n2)CN(C(=O)C2(C(N)=O)CC2)C3)cc1 67934793 WGJSGVOVTNPZPF-UHFFFAOYSA-N 352.394 1.184 0 50 FDAA CN1CCCn2nc(C(=O)N3CCC[C@@H](OCc4ccccn4)C3)cc2C1 65535322 PILPOFHOAGIXLP-GOSISDBHSA-N 369.469 1.935 0 50 FDAA Cc1cc(CNCc2cccc(OC[C@H](O)CN3CCOCC3)c2)on1 11812792 QNXNCAJZYRJSCC-QGZVFWFLSA-N 361.442 1.345 0 50 FDAA CC[C@@H]1CCCCN1CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 252679134 IIEPXUUHPLZTRR-IKGGRYGDSA-N 372.531 1.446 0 50 FDAA Cn1ncc(N2CC[C@@H](CNC(=O)C(C)(C)c3ccccc3)C2)cc1=O 77489830 WTKFJOXIYZLURY-HNNXBMFYSA-N 354.454 1.701 0 50 FDAA Cc1nnc(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)n1C 7234739 FPUBDHXJZPWSBF-UHFFFAOYSA-N 351.457 1.503 0 50 FDAA Cc1nc(CN2CCC(CNC(=O)N[C@@H]3CCN(C)C3=O)CC2)oc1C 172379431 HYZCVHXJAKFIQM-OAHLLOKOSA-N 363.462 1.033 0 50 FDAA CCc1nnc(CN2CCC[C@H](c3cc(N4CCOCC4)nc(C)n3)C2)o1 72480862 XDSRWRPPVMYDTM-HNNXBMFYSA-N 372.473 1.947 0 50 FDAA O=C(c1ccc(NCC2CC2)nc1)N1CCC(N2CCCNC2=O)CC1 282153646 JCIJVGLKIQBRGQ-UHFFFAOYSA-N 357.458 1.923 0 50 FDAA COc1nccnc1N1CCN(CCCc2ccccc2)[C@H](CCO)C1 72453447 PECIVSGBBWCREO-GOSISDBHSA-N 356.470 1.991 0 50 FDAA C[C@@H]1C(=O)NCCN1C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 153547641 YMEHIUWSPARBGF-SNVBAGLBSA-N 352.316 1.852 0 50 FDAA Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N1C[C@@H](C)C[C@@H](O)C1 332432839 FUVAAVXYHCCFPT-SWLSCSKDSA-N 352.456 1.378 0 50 FDAA Cc1cc(C)n(-c2ccc(C(=O)N3CCC(N4CCNC4=O)CC3)cn2)n1 363154489 RHYMOQLKOAMCFR-UHFFFAOYSA-N 368.441 1.514 0 50 FDAA O=C(Cn1cccn1)N1CCc2ncnc(NCc3ccco3)c2CC1 72476492 YXXQJTIOAXYIIX-UHFFFAOYSA-N 352.398 1.506 0 50 FDAA COc1ccccc1[C@@H]1CN(S(=O)(=O)N(C)C)[C@@H]2C3CCN(CC3)[C@H]12 72144013 MLYOBOGZJQUODO-CGTJXYLNSA-N 365.499 1.364 0 50 FDAA CN(CCN1CC2(CCN(C(=O)CN)CC2)OC1=O)C1CCCCC1 77339799 MWIUYDJKUGMPHJ-UHFFFAOYSA-N 352.479 1.023 0 50 FDAA Cn1c(=O)c(CN2CCC(C(=O)N3CCOCC3)CC2)cc2ccccc21 216141534 GZKJXFNCXUUCJF-UHFFFAOYSA-N 369.465 1.609 0 50 FDAA Cc1nc(S(=O)(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)sc1C 333439365 LLNIVCHJWBSBSU-LLVKDONJSA-N 358.466 1.567 0 50 FDAA CCCn1nccc1S(=O)(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1 218872438 HULWEYRFOFGQPY-ZIAGYGMSSA-N 366.443 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PFVQSFLYTSFCLS-QGZVFWFLSA-N 370.457 1.655 0 50 FDAA CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc(-n2ccc(O)n2)c(F)c1 1875344343 CQFWQWLVRMYAKN-AWEZNQCLSA-N 372.360 1.126 0 50 FDAA CN(CCNS(C)(=O)=O)C[C@H]1CCCN(C(=O)[C@H]2CC[C@H](C)CC2)C1 1875332721 GNEKSDDKHWKWRQ-BRWVUGGUSA-N 373.563 1.532 0 50 FDAA Cn1cc(-c2cncc(C(=O)N[C@@H]3C[C@H](Cn4ccnc4)C[C@H]3O)c2)cn1 1875403267 RPYGBHGNWJHWLD-MORSLUCNSA-N 366.425 1.248 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1cncc(C(F)(F)F)c1 1875402106 BQHQLNIQRRHILP-LERXQTSPSA-N 354.332 1.866 0 50 FDAA Cc1ncc(C(=O)N[C@@H]2C[C@@]3(C[C@H]2O)CN(C)[C@H]3C(C)C)c(C2CC2)n1 888094767 JKKYJQKGVYUQMS-ZTRFORPCSA-N 358.486 1.872 0 50 FDAA CC[C@H](CNS(=O)(=O)c1ccc(C(=O)O)cc1Br)OC 313568924 RAIBPVZPTDQPMH-SECBINFHSA-N 366.233 1.851 0 50 FDAA COC(=O)C1=CNC=C(C(=O)OC)C1c1cc2c(cc1Cl)OCO2 1067228 HZZYPWLHFCUDFG-UHFFFAOYSA-N 351.742 1.869 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1ccnn1-c1ccccc1 2325785633 GQIHPJQAPIVACB-QGPMSJSTSA-N 351.410 1.638 0 50 FDAA CN1CC2(CCN(C(=O)c3ccc4c(c3)SCC(=O)N4)C[C@@H]2CO)C1 2325791348 QVCJDMRXTPEGSK-CYBMUJFWSA-N 361.467 1.117 0 50 FDAA CCN1CCc2c(cccc2NC(=O)c2cnc3nc(C)[nH]n3c2=O)C1 2325798168 RTNFLDRXJUZBBG-UHFFFAOYSA-N 352.398 1.356 0 50 FDAA O=C(NC[C@H](O)c1ccoc1)c1nccn2c(Br)cnc12 2325849992 IJXNHLYEKUMQBP-VIFPVBQESA-N 351.160 1.548 0 50 FDAA N[C@@H](CCC(=O)O)C(=O)N[C@H]1CN[C@@H](c2ccc(Br)cc2)C1 2325851948 NUYVNKXPCFFRDL-FRRDWIJNSA-N 370.247 1.160 0 50 FDAA O=S(=O)(Cc1noc2c1CCCC2)N1CCNC[C@H]1c1cccnc1 923639805 UMOTVWCAPNSUBY-INIZCTEOSA-N 362.455 1.425 0 50 FDAA CS(=O)(=O)[C@@H]1CCCC[C@@H]1NC[C@@H](O)CN1CCc2ccccc2C1 246029923 LUJGLBXZBNZHOL-CEXWTWQISA-N 366.527 1.351 0 50 FDAA CCN(CCN1CCCCCC1)C(=O)c1cnn2cc(CCO)cnc12 55042514 FBWPEEBJKQMCDM-UHFFFAOYSA-N 359.474 1.602 0 50 FDAA Cc1nn(C)c(C)c1CCC(=O)N1CCN(CCc2ccncc2)CC1 65458947 VAAPKUXSJUFCBX-UHFFFAOYSA-N 355.486 1.751 0 50 FDAA CNS(=O)(=O)c1ccc(CCC(=O)N(C)CCc2ccncc2)cc1 116099884 SWHGOYQMZBXSEF-UHFFFAOYSA-N 361.467 1.623 0 50 FDAA Cc1nc(CN2CCCN(C(=O)c3ccc(-n4ccnc4)cc3)CC2)no1 171863439 PDJVDVUTFPXNCZ-UHFFFAOYSA-N 366.425 1.912 0 50 FDAA Cc1ccc(S(=O)(=O)NCCNc2cc(-n3cccn3)nc(C)n2)cc1 65362146 WUAHBLFUNPZXPI-UHFFFAOYSA-N 372.454 1.670 0 50 FDAA COCc1cc(Cl)ccc1NC(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O 425712472 DDATYXWTNXFSHN-INIZCTEOSA-N 366.805 1.644 0 50 FDAA CCC1(CC)NC(=O)N(CC(=O)N2C[C@@H](O)C[C@@H]2c2ccccc2)C1=O 331617369 XJISUMNEDBBUSX-LSDHHAIUSA-N 359.426 1.432 0 50 FDAA CCOc1ccc(C(=O)N2CCC(Cc3nn(C)c(=O)n3CC)CC2)o1 67967420 VXXKJRHWEUBHFG-UHFFFAOYSA-N 362.430 1.688 0 50 FDAA CCc1cc(N2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)ncn1 67967288 QVPSLSRGIBEKLF-UHFFFAOYSA-N 357.462 1.858 0 50 FDAA CC1=NN(C(=O)c2c(Br)c(C)nn2C)[C@@](O)(C(F)F)C1 1003123 CNPSMJPNGFEHST-NSHDSACASA-N 351.151 1.667 0 50 FDAA CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3c(F)cccc3F)[C@@H]2SC1 2785164 FHBYUEYAUPXULO-YGRLFVJLSA-N 354.334 1.337 0 50 FDAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCSCC2)[C@H]3C1=O 77504932 OABIAYGDSGIJKU-RCJHGTSTSA-N 364.511 1.780 0 50 FDAA Cc1cc(C)n(-c2ccc(=O)n(CC(=O)NCCc3ccccc3)n2)n1 38208593 NOAZVORNQDJHOQ-UHFFFAOYSA-N 351.410 1.405 0 50 FDAA O=C1CC[C@@]2(CCCN(CCOCCO)C2)CN1CCc1ccccn1 77453968 FBNXWWLJJNOPEJ-HXUWFJFHSA-N 361.486 1.338 0 50 FDAA CC1=C(c2ccccc2)[C@H]1C(=O)NCCn1[nH]c(=O)c2ccccc2c1=O 219511578 FGCMGDZKIVJXFT-SFHVURJKSA-N 361.401 1.910 0 50 FDAA Nc1nc2c(c(C(=O)NCCc3noc(C4CCCC4)n3)n1)CCCC2 215115146 AYGDAYFBFOPWAD-UHFFFAOYSA-N 356.430 1.951 0 50 FDAA OCc1cc2n(n1)CCN(Cc1cccc(OCCN3CCOCC3)c1)C2 219157437 KLHQDDKQKJRGRI-UHFFFAOYSA-N 372.469 1.102 0 50 FDAA CC(=O)N1CC[C@H]2N(C(=O)c3cccc(N(C)C)c3)CCC[C@]2(CO)C1 72166223 YJWQDYBIJWSQPH-UYAOXDASSA-N 359.470 1.588 0 50 FDAA CN(C)c1ccc(C(=O)NS(=O)(=O)N2CCc3ccccc32)c(F)c1 153721035 FOKKBMCUXMFKNM-UHFFFAOYSA-N 363.414 1.929 0 50 FDAA NS(=O)(=O)C1CCN(C(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)CC1 333341260 YCZAPPGEWPSUEW-HFCHRNICSA-N 368.421 1.881 0 50 FDAA O=S(=O)(CCOCC1CC1)N1CCS(=O)(=O)C2(CCCCC2)C1 333495390 RNOHDMFGCVKORQ-UHFFFAOYSA-N 365.517 1.176 0 50 FDAA O=C(Nc1ccccc1C(=O)N1CCCC1)N1CCN2CCOC[C@@H]2C1 363803564 UOKQBRBBXAWHJP-HNNXBMFYSA-N 358.442 1.471 0 50 FDAA COCCNC(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCC(C)C)CO2 71404042 XIFDBDGXEQMUKY-OAHLLOKOSA-N 363.458 1.422 0 50 FDAA CC(C)Oc1cncc(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)c1 334084172 YKZSNMHEAIFYFQ-DOMZBBRYSA-N 355.460 1.317 0 50 FDAA C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)NC2CCN(c3nccs3)CC2)CC1=O 369754481 KDCVXNZUXZRGOT-KWCYVHTRSA-N 363.487 1.420 0 50 FDAA CC(C)C(=O)N1CCC(CNS(=O)(=O)NCc2ccccc2)CC1 71388582 DLRMSXWISJWQGU-UHFFFAOYSA-N 353.488 1.505 0 50 FDAA CC[C@@H](C(=O)N1CCN(Cc2ccc(OC)cc2)C(=O)C1)n1cccn1 77504768 PQYYPLODSBNUJC-KRWDZBQOSA-N 356.426 1.714 0 50 FDAA CCn1c(CC2CCN(c3cc(C(=O)NC4CC4)ccn3)CC2)n[nH]c1=O 71762239 FXHBEZDAELETDO-UHFFFAOYSA-N 370.457 1.338 0 50 FDAA COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CC3(CCNCC3)CN1)CC2 72154459 OQHXIOBVRFBGFB-INIZCTEOSA-N 359.470 1.320 0 50 FDAA Cn1ccn2ncc(C(=O)N[C@@H]3CCCN(C(=O)c4cccs4)C3)c12 71681809 ZMTINYBEPPMFJU-GFCCVEGCSA-N 357.439 1.769 0 50 FDAA CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(C)C2)cc1 71384880 YSEZOYZCERSEFG-AWEZNQCLSA-N 353.488 1.997 0 50 FDAA COc1ccc([C@@H](C)NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)cc1F 239637036 BIJLNQGTVDSXBY-YPMHNXCESA-N 358.435 1.130 0 50 FDAA CC(C)c1ccc(C(=O)N2CCC([C@H](C)N3CCN(C)CC3)CC2)c(=O)[nH]1 77320665 IGRCAOPVMSQGDO-INIZCTEOSA-N 374.529 1.986 0 50 FDAA Cc1nnnn1-c1cccc(C(=O)N2CCN(C3CCSCC3)CC2)c1 216148025 OUINNILRWNJXKC-UHFFFAOYSA-N 372.498 1.624 0 50 FDAA CC(C)(Oc1ccc2c(c1)CCC2)C(=O)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 220034066 MPYNCHSLUVQBIV-XHVUQVIVSA-N 359.466 1.923 0 50 FDAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)CCN1Cc3ccccc3C1=O)CC2 426369179 LFMPBRXFKHLMNP-RIFZZMRRSA-N 358.438 1.563 0 50 FDAA CN1C(=O)c2ccc(C(=O)N[C@H]3CCCN(CC(F)(F)F)C3)cc2C1=O 288439942 DWYVNKXMQAKHNW-NSHDSACASA-N 369.343 1.669 0 50 FDAA CC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)c2ccccc2Cl)C1 41397261 BQDLBVIIEFSIPY-CYBMUJFWSA-N 351.834 1.445 0 50 FDAA CN(Cc1ccno1)C(=O)C[C@@H]1C(=O)NCCN1CCc1ccccc1 19111787 DMIFILSBTOJLIG-QGZVFWFLSA-N 356.426 1.066 0 50 FDAA O=C(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1cncc(F)c1 426548425 DQQCPKWMVACXAJ-IPFXWSOASA-N 366.440 1.518 0 50 FDAA Cn1nc2n(c1=O)C[C@@H](C(=O)NCC1(N3CCCC3)CCCCC1)CC2 223280087 ROFLLGFFDKDNGI-HNNXBMFYSA-N 361.490 1.059 0 50 FDAA O=C(c1nc2ncccn2n1)N1CCN(Cc2cccc(F)c2F)CC1 20614072 QPTRNBFZPAKNJT-UHFFFAOYSA-N 358.352 1.361 0 50 FDAA CC(C)Cn1ncc(C(=O)N2CCc3nn(C)c(=O)cc3C2)c1C(F)F 178998596 MSBHEYUKWPTSDG-UHFFFAOYSA-N 365.384 1.769 0 50 FDAA NS(=O)(=O)c1cnn(CC(=O)N[C@H]2CCCc3sc(Cl)cc32)c1 292026926 BYWBRSSZOVBUOB-JTQLQIEISA-N 374.875 1.439 0 50 FDAA Cc1cnc(-c2ccc(C(=O)N[C@H]3C=CS(=O)(=O)C3)cc2)nc1N(C)C 426368232 HGXRVBTWSGMOLQ-HNNXBMFYSA-N 372.450 1.559 0 50 FDAA Cc1ncc(S(C)(=O)=O)c(N2CCC[C@@H](C(=O)N3CCCC3)C2)n1 95390525 VFIWEBGVQSGRSX-CYBMUJFWSA-N 352.460 1.027 0 50 FDAA CN(Cc1noc2c1CCCC2)C(=O)[C@H]1CC(=O)N(Cc2cccnc2)C1 95497401 FWIULUUGGXGEIJ-HNNXBMFYSA-N 368.437 1.956 0 50 FDAA CC(C)OC(=O)CC12CN(C)CC(CC(=O)OC(C)C)(CN(C)C1)C2=O 95344619 NMJLENPWQKRQHH-UHFFFAOYSA-N 368.474 1.103 0 50 FDAA biogenic O=C(CN1CCN(Cc2cccnc2)CC1)Nc1ccc2nsnc2c1 22752416 NMUVUEGSYSJFNG-UHFFFAOYSA-N 368.466 1.843 0 50 FDAA Cc1nnnn1CC(=O)N1CCC[C@H](c2nccn2Cc2cccnc2)C1 95370757 CEJIRUNCPJAMGA-INIZCTEOSA-N 366.429 1.028 0 50 FDAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccccn2)CN1Cc1c[nH]cn1 96160804 VPIHMFSUOJDFIR-PBHICJAKSA-N 370.457 1.046 0 50 FDAA Cn1nc(C(F)(F)F)cc1C(=O)N1CCCN(C(=O)C2CCC2)CC1 97823660 UJOTWTIVEZPCDJ-UHFFFAOYSA-N 358.364 1.914 0 50 FDAA O=C1CCC2(CCN(c3nccc(C(F)(F)F)n3)CC2)CN1CCO 92028635 JWTLPPNPAQJQKE-UHFFFAOYSA-N 358.364 1.697 0 50 FDAA CN(C)S(=O)(=O)N1CCC(Oc2cccc(C(=O)N3CCC3)c2)CC1 95502367 FTHUZCCZOGHSIJ-UHFFFAOYSA-N 367.471 1.182 0 50 FDAA c1cn(Cc2cscn2)c([C@@H]2CCCN(CCCn3cnnn3)C2)n1 95372213 OSMPIPAUEWFULP-CQSZACIVSA-N 358.475 1.644 0 50 FDAA COc1ccc([C@@H]2CN(C(=O)Cc3ccncc3)C[C@H]2NC(C)=O)cc1 95497174 FJZMZKXLMFPXSJ-RBUKOAKNSA-N 353.422 1.763 0 50 FDAA CCc1nc2n(n1)C[C@@H](NC(=O)c1csc(S(C)(=O)=O)c1)CC2 162921283 OUPWHICKNBJGFV-JTQLQIEISA-N 354.457 1.050 0 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357.414 1.665 0 50 FDAA Cc1ccccc1-c1noc(CNC(=O)[C@H]2CSC(C)(C)C(=O)N2)n1 299767967 GWSDDFYUYOFNEC-GFCCVEGCSA-N 360.439 1.671 0 50 FDAA Cn1nc(-c2cccc(C(=O)NCc3ccoc3)c2)nc1N1CCOCC1 299775547 GNTZQMPSCWKJOG-UHFFFAOYSA-N 367.409 1.842 0 50 FDAA CC(C)c1nc(CNC(=O)c2ccccc2S[C@H]2CC(=O)NC2=O)no1 828295571 JKJAJEQYNXIQQE-LBPRGKRZSA-N 374.422 1.630 0 50 FDAA COc1cccc2c1OC[C@@H](NC(=O)c1cc3ncc(CCO)cn3n1)C2 670464771 ROMABSUZIOJVKS-AWEZNQCLSA-N 368.393 1.006 0 50 FDAA COc1ccnc(CN2CCC(CNC(=O)c3cnccn3)CC2)c1OC 952974255 NQJIVPGUQQHULY-UHFFFAOYSA-N 371.441 1.531 0 50 FDAA Cc1ccc(C[C@H](CNS(=O)(=O)c2c(C)noc2C)C(=O)O)cc1 275016415 OBNHBXMKQPTJED-CQSZACIVSA-N 352.412 1.822 0 50 FDAA CC(=O)N1CCc2cc(S(=O)(=O)NC[C@H]3CCc4nccn4C3)ccc21 275287475 LGRQAPFENWRHPN-CQSZACIVSA-N 374.466 1.333 0 50 FDAA Cc1cc(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cnn1 276239392 PBVOXKPOGQMTSZ-MRXNPFEDSA-N 360.364 1.984 0 50 FDAA C[C@@H](CCc1ccc(Br)cc1)NC(=O)N1C[C@@H](O)C[C@H]1CO 188487117 AWTPRGCZTWXJHS-CQDKDKBSSA-N 371.275 1.907 0 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0 50 FDAA CO[C@@]1(C)CCCN(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)C1 373428826 AZNVATPUGFXWDP-INIZCTEOSA-N 359.492 1.154 0 50 FDAA Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N[C@H]3CCN[C@H](C)C3)cc12 262887636 OEUUXWOLLJWFHC-JLLWLGSASA-N 363.487 1.318 0 50 FDAA Cc1cc(=O)n(CC(=O)NCCc2nccc(-c3ccccc3)n2)nc1C 219425066 BWGGGZPXDCQQHN-UHFFFAOYSA-N 363.421 1.676 0 50 FDAA Cc1nc(CCNC(=O)c2cc(CC(C)C)[nH]c(=O)n2)nc2c1CCC2 216383361 ANJBPFZWWDHDRH-UHFFFAOYSA-N 355.442 1.528 0 50 FDAA Cc1ccc(CS(=O)(=O)NC(=O)[C@H]2CCCN2C(=O)C(C)C)c(F)c1 242178793 XAYLETNPSCBYMM-OAHLLOKOSA-N 370.446 1.727 0 50 FDAA CNc1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(=O)O)cc2)ccn1 222436681 WSVZFKYIBAZSKZ-HZPDHXFCSA-N 371.393 1.788 0 50 FDAA C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CN1C1CC1 177046486 IJJWTQFZILYAJL-AYBZRNKSSA-N 355.482 1.962 0 50 FDAA Cc1ccc(F)cc1C1(c2noc(-c3cn(CC(=O)N(C)C)nn3)n2)CC1 289034472 GLGJVSMWVXPKGR-UHFFFAOYSA-N 370.388 1.944 0 50 FDAA COCCc1noc([C@@H](C)NC(=O)CC2=CSC3=NCCCN23)n1 223779311 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OEVRANPYLQIWBG-UHFFFAOYSA-N 366.418 1.036 0 50 FDAA COCCN1CC[C@@H](CNC(=O)c2c(Cl)c(C(F)(F)F)nn2C)C1 299765049 TTZJRTKJYMWZGT-VIFPVBQESA-N 368.787 1.790 0 50 FDAA Cc1cc(C)nc(S[C@@H](C)C(=O)N2CCCN(S(C)(=O)=O)CC2)n1 299790609 BWJQWBSQBHVUMR-ZDUSSCGKSA-N 372.516 1.068 0 50 FDAA Cc1cc(O)nc(C)c1C(=O)NCc1cc2n(n1)CCN(C(=O)C(C)C)C2 299790810 CIPSJEBUFHPKPL-UHFFFAOYSA-N 371.441 1.529 0 50 FDAA CCn1nc(CO)c2c1CCN(C(=O)c1cnn(Cc3ccccc3)c1)C2 299783116 NXWXKMHBUYBUJC-UHFFFAOYSA-N 365.437 1.839 0 50 FDAA COCC(=O)Nc1ccc(C)c(NC(=O)NCCC(=O)N2CCCC2)c1 299772480 ZCKTULYHKDVDLL-UHFFFAOYSA-N 362.430 1.714 0 50 FDAA O=C(NCCc1csc(-c2ncccn2)n1)N1CCC[C@@]2(CCNC2)C1 827933768 NZDNDGQZKZBLQE-SFHVURJKSA-N 372.498 1.928 0 50 FDAA Cc1nc(C(C)(C)C)nc(O)c1C(=O)N[C@@H](CO)Cc1cncs1 1454309162 IXLPCQUXOYWLDA-SNVBAGLBSA-N 350.444 1.578 0 50 FDAA Cc1nc(CN2CC[C@H](NC(=O)Cc3c(C)noc3C)[C@@H](O)C2)cs1 1565528496 XQIWOXKBZHDPCE-HOTGVXAUSA-N 364.471 1.350 0 50 FDAA CCNc1ncc(CN2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)cn1 1565529165 LXDDRXTUKWYQOT-CVEARBPZSA-N 356.426 1.988 0 50 FDAA CCn1nc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2[nH]cnc2C)C3)cc1C 1565508536 FIBMWMVTPSLPHM-CVEARBPZSA-N 356.474 1.980 0 50 FDAA CNS(=O)(=O)c1ccc(CNC(=O)[C@H](C)N(C)CC(F)(F)F)s1 170614561 PBMONMPWCPFVDN-QMMMGPOBSA-N 373.422 1.155 0 50 FDAA O=C(c1ccc(Br)cn1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 171130365 WRSAESBJCKVEGE-ZDUSSCGKSA-N 368.231 1.308 0 50 FDAA Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC[C@@H](C(=O)O)C(C)C 274952424 GLMFWESKNMPTTM-GFCCVEGCSA-N 363.457 1.034 0 50 FDAA CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2)cc1 856976 FTTASUNHSCPFAM-UHFFFAOYSA-N 362.407 1.921 0 50 FDAA NC(=O)c1cccnc1N1CCN([C@H]2CCN(c3ccccc3)C2)CC1 1506401978 LBIREWVDRPWSMU-KRWDZBQOSA-N 351.454 1.581 0 50 FDAA COCCCN1C(=O)CC[C@@H]2CN(C(=O)c3scnc3C)CC[C@@H]21 215149460 VMHPOFRNNSXDBP-KGLIPLIRSA-N 351.472 1.941 0 50 FDAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(Cc1cnc(N3CCOCC3)nc1)C2 219932719 ZTWCSZMOIORBBZ-SJORKVTESA-N 359.474 1.146 0 50 FDAA O=C(NCC1CCOCC1)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1772816888 WDZPARBOVXJMLK-CQSZACIVSA-N 365.499 1.627 0 50 FDAA OC1CCN([C@@H]2CCN(Cc3cnn(-c4ccc(F)cc4)c3)C[C@H]2O)CC1 11754148 HWULCJLVGDVNLV-WOJBJXKFSA-N 374.460 1.403 0 50 FDAA CN(Cc1ccc(OCC(=O)NCc2ccncc2)cc1)S(C)(=O)=O 14399416 GAJIRBCVCFEYTR-UHFFFAOYSA-N 363.439 1.168 0 50 FDAA CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(CC(C)(C)C)CC2 14543762 YZORRFXDWIOHIH-UHFFFAOYSA-N 366.506 1.663 0 50 FDAA COc1cccc(CN2CCC[C@@](O)(CN3CCSCC3)C2=O)c1 15080565 PDJIOJUEDUYPCV-GOSISDBHSA-N 350.484 1.598 0 50 FDAA COc1nc2c(cc1C(=O)N1CCC(n3cc(CN)nn3)CC1)CCC2 19742748 SDZFLVSAKHOXCT-UHFFFAOYSA-N 356.430 1.106 0 50 FDAA CCS(=O)(=O)N1CCN(C[C@]2(c3cccc(F)c3)CCOC2)CC1 19742786 XNVOUHDYYKWMFS-QGZVFWFLSA-N 356.463 1.451 0 50 FDAA COCCn1nnc([C@H]2CN(C(=O)CCCCc3ccccc3)CCO2)n1 1857734576 MBSOYJWGEFFHFZ-QGZVFWFLSA-N 373.457 1.632 0 50 FDAA CN(C)C[C@@H]1OCCN(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cnn(C)c1 1857736023 MOKIEWOIXPITCV-ROUUACIJSA-N 372.425 1.293 0 50 FDAA O=C(CCCc1cn[nH]c1)N1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857736995 YZDGOEYTXBZTFA-HNBVOPMISA-N 355.438 1.328 0 50 FDAA C[C@@H](CN1CCC(n2cc(C(=O)NCCCO)nn2)CC1)c1ccccc1 12163095 IRYVDAKCVWLWSM-INIZCTEOSA-N 371.485 1.831 0 50 FDAA Cn1cc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c(-c2cccs2)n1 131570443 GHOGLJLEPDABOD-AWEZNQCLSA-N 374.466 1.612 0 50 FDAA CN(Cc1cccc(-c2nc3c(c(=O)[nH]2)CCC3)c1)Cc1nncn1C 23192189 QGAKTKAYFKTYHY-UHFFFAOYSA-N 350.426 1.686 0 50 FDAA O=C(O)[C@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 263289177 UZWMHCQLBFCWJS-ZANVPECISA-N 369.780 1.701 0 50 FDAA Cn1cccc1[C@@H]1CCCN1C(=O)Nc1cnn(CCN2CCOCC2)c1 267042982 FKFJHVPDYZKFCO-SFHVURJKSA-N 372.473 1.923 0 50 FDAA Cn1cc([C@@H]2C[C@@H](C(=O)O)CN(C(=O)Cc3cnn4ccccc34)C2)cn1 902494050 OHNMOIVOTGIUAS-HUUCEWRRSA-N 367.409 1.327 0 50 FDAA Cc1noc(COC2CN(C(=O)[C@]3(C)Cc4ccccc4C(=O)O3)C2)n1 818660644 ZYTJAIVPEZSANA-SFHVURJKSA-N 357.366 1.277 0 50 FDAA C[C@@H]1CN(C(=O)c2cnc3n2CCC3)C[C@H]1NC(=O)C1(C2CC2)CCC1 950648677 YIXVKPCMQXUVCP-UKRRQHHQSA-N 356.470 1.986 0 50 FDAA NC(=O)Cc1cccc2c1CCN(C(=O)C[C@H](O)c1cccc(F)c1)C2 870448460 QBGGKZDZFKDHCO-SFHVURJKSA-N 356.397 1.862 0 50 FDAA Clc1cncnc1N1CCN(Cc2noc(C3CCOCC3)n2)CC1 1875262287 YQJAHGWHOFTIGP-UHFFFAOYSA-N 364.837 1.729 0 50 FDAA COc1ccc(CNC(=O)N2CCC(CN3CCCC3=O)CC2)cc1O 1875294111 AGNUYRPMAXFVGI-UHFFFAOYSA-N 361.442 1.945 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)N2CC[C@@](CO)(c3cccc(F)c3)C2)C1 1875372032 UOGGPWAIDOOKGG-MGPUTAFESA-N 360.429 1.713 0 50 FDAA NC/C=C/CNC(=O)c1n[nH]c2ccc(I)cc12 1875358830 LDHKWFUTRSRBKT-OWOJBTEDSA-N 356.167 1.412 0 50 FDAA CCn1ncnc1C(=O)N[C@]12CCC[C@@H]1N(C(=O)C[C@H]1C[C@H]1C)CCC2 1875407063 SDJUYRCVHKPCGD-CUYVQJCZSA-N 359.474 1.988 0 50 FDAA COc1cc(C(=O)N2C[C@H](OC)C[C@@H]2c2ncc[nH]2)cc2c1OCCO2 888077801 VNWJFMWQJVJOSS-CHWSQXEVSA-N 359.382 1.792 0 50 FDAA CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(Cc2ccc(F)cc2)CC1 888103323 COOQNGNCAIWUIE-MOPGFXCFSA-N 374.460 1.805 0 50 FDAA N[C@@H](CCNC(=O)N1CC(=O)N(CCC(F)(F)F)C1)Cc1ccccc1 892407717 CYXKPJROJPGIQJ-AWEZNQCLSA-N 372.391 1.710 0 50 FDAA Cn1c(C(=O)N2C[C@@H](O)[C@H](Cc3cnccn3)C2)cnc1-c1ccccc1 2100482683 QVDOHDLCGBPWIX-CRAIPNDOSA-N 363.421 1.553 0 50 FDAA COC(=O)C1CN(C(=O)c2c(OCc3ccccc3)c(=O)ccn2C)C1 2100483315 ZOLPAEHELSZEMN-UHFFFAOYSA-N 356.378 1.209 0 50 FDAA Cc1c(Cl)c(CN2CCN(c3ccc4nncn4n3)[C@H](C)C2)nn1C 2325753033 XDMGQFWBZONVFT-LLVKDONJSA-N 360.853 1.530 0 50 FDAA O=C(O)c1noc2c1CN(C(=O)[C@H]1CCCN(c3nccs3)C1)CC2 2325784517 PQUCRGUVSUFUAS-JTQLQIEISA-N 362.411 1.631 0 50 FDAA Cn1ccc2[nH]c(C(=O)N3CCC(n4[nH]c(C5CC5)nc4=O)CC3)cc21 2325796963 LCJQWFAWRGHREF-UHFFFAOYSA-N 354.414 1.746 0 50 FDAA CCc1c[nH]nc1C(=O)NC1(C)CN(C(=O)c2cnc3cccnc3c2)C1 2325850858 KBNGHMAXUGNCBV-UHFFFAOYSA-N 364.409 1.560 0 50 FDAA O=C(NCCC1(CNC(=O)c2cccc3nonc23)CC1)c1ncc[nH]1 2325901003 QFVSVFFOIMGYDX-UHFFFAOYSA-N 354.370 1.276 0 50 FDAA COCCNC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 4487987 CTEHQACYMKVTNF-UHFFFAOYSA-N 354.453 1.949 0 50 FDAA NS(=O)(=O)N1CCN(C(=O)c2csc(C3CCCCC3)n2)CC1 412121606 MFXDKJVHDRJTNT-UHFFFAOYSA-N 358.489 1.152 0 50 FDAA 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O=c1nc([C@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)[nH][nH]1 253431432 VVEGTRBKVKCPQC-AWEZNQCLSA-N 358.423 1.820 0 50 FDAA CCc1ncnc(N2CCC[C@H](N(C)Cc3nccc(N)n3)CC2)c1F 328634011 MIXIZCXAUHRNGI-ZDUSSCGKSA-N 359.453 2.041 0 50 FDAA O=C(c1ccc2c(=O)[nH]c(S)nc2c1)N1CC[C@]2(O)CCCC[C@H]2C1 151006246 BEJOINRWTFACAT-KPZWWZAWSA-N 359.451 1.979 0 50 FDAA C[C@H](NC(=O)[C@H]1COCCN1C)[C@H](OC1CCOCC1)c1ccccc1 332782851 XUZSMEHFIHYAHL-IPELMVKDSA-N 362.470 1.759 0 50 FDAA O=C(c1ccccc1[C@H]1CCNC1)N1CCC(N2CCC(O)CC2)CC1 72470397 JRAQEYWOVPCLLE-INIZCTEOSA-N 357.498 1.825 0 50 FDAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2ccon2)[C@H]3C1=O 77387797 XDKQCHLWPIKDJG-CLWJZODNSA-N 373.453 1.851 0 50 FDAA Cc1cnn(C2CCN(C(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)CC2)c1 369265159 DZJWLWONLUFQLH-SFHVURJKSA-N 359.430 1.076 0 50 FDAA CSc1cccc(NC(=O)C(=O)N2CCC[C@H]3C(=O)N(C)C[C@H]32)c1C 376954178 RYVAWIQUAVPNRM-TZMCWYRMSA-N 361.467 1.735 0 50 FDAA Cn1c(CN2CCOCC2)nnc1[C@H]1CCCN(C(=O)CCC2CC2)C1 72475675 FFVJJPDKPUKTRL-INIZCTEOSA-N 361.490 1.544 0 50 FDAA CCOc1ccccc1CN1CCn2nc([C@H](O)CC(=O)N(C)C)cc2C1 219883919 KOIAISRZYJZHIL-GOSISDBHSA-N 372.469 1.809 0 50 FDAA Cc1nn(C)c(N)c1C(=O)N(C)C[C@@H]1OCCN(C)[C@H]1c1ccccc1 375577930 MMWVRLUWLNGISI-RDJZCZTQSA-N 357.458 1.455 0 50 FDAA Cc1cc(C)n(Cc2cccc(C(=O)N3CC[C@@]4(CC(=O)NC4=O)C3)c2)n1 77354700 JPCWZAXAXPJDME-HXUWFJFHSA-N 366.421 1.427 0 50 FDAA COc1cccc(S(=O)(=O)N2CCCC[C@H]2CCN2CCOCC2)c1 77488418 GBTLLHMRDGFRIA-INIZCTEOSA-N 368.499 1.961 0 50 FDAA CCc1cc(C(=O)N(CC(F)F)C2CCN(S(C)(=O)=O)CC2)[nH]n1 283449972 WSTOJWTUJJLLFI-UHFFFAOYSA-N 364.418 1.103 0 50 FDAA COc1cccc(CC(=O)N2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)c1 77451870 GLEYLXIFPHWMMD-HXUWFJFHSA-N 360.454 1.461 0 50 FDAA Cn1ncnc1[C@H]1COCCN1C(=O)c1cc(Br)cs1 284436018 JMGXHADPRUGXSD-SECBINFHSA-N 357.233 1.853 0 50 FDAA Cc1ccnn1CC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 221409650 OVTQGBHISPQDIR-UHFFFAOYSA-N 360.365 1.411 0 50 FDAA CN(Cc1ccccc1-n1cccn1)C(=O)COc1ccc2nncn2n1 221193457 AZFOWHRPUZCSGQ-UHFFFAOYSA-N 363.381 1.347 0 50 FDAA Cc1ccc(N2CCN(C(=O)c3cc(C)c(C)n(C)c3=O)CC2=O)cc1 82109571 OCXNFJMECQPXBV-UHFFFAOYSA-N 353.422 1.800 0 50 FDAA Cc1ccc(NCCCNC(=O)c2cc3ccccc3n(C)c2=O)nc1 426420155 QXGIFAPUWJQIBT-UHFFFAOYSA-N 350.422 2.474 0 50 FDAA Cc1ncsc1CCN(C)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 95390408 JANVOTRVNVCBOI-AWEZNQCLSA-N 358.467 1.896 0 50 FDAA CN(C)CCNC(=O)c1ccc(S(=O)(=O)NCc2ccoc2)cc1 91452130 FLADLZLEJOSHAN-UHFFFAOYSA-N 351.428 1.050 0 50 FDAA Cn1c(Cn2cccn2)nnc1[C@H]1CCCN(C(=O)c2ccc(N)nc2)C1 95380861 ZNPZVTHTEDZDSD-AWEZNQCLSA-N 366.429 1.057 0 50 FDAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cc(C(F)(F)F)nn1C)C2 97743007 VZVLWIIJABHFTJ-WDEREUQCSA-N 374.363 1.148 0 50 FDAA Cn1c(Cn2cccn2)nnc1[C@H]1CCCN(c2nc(CO)cs2)C1 95354913 OCIWFDOMRCXIHW-LBPRGKRZSA-N 359.459 1.393 0 50 FDAA COCCn1cnnc1[C@H](C)NC(=O)c1ccc(-c2cncn2C)cc1 426562794 BGIFJFXPDBDLGN-ZDUSSCGKSA-N 354.414 1.816 0 50 FDAA O=C(c1cnc(O)cn1)N1CCC(c2nccn2Cc2ccccn2)CC1 91997789 AKBFRKPMMSUQAZ-UHFFFAOYSA-N 364.409 1.842 0 50 FDAA CC[C@@H](Sc1nc2ccccc2o1)c1nc(CC(N)=O)nn1CCO 97553413 ONBDHIPAZJPEAO-GFCCVEGCSA-N 361.427 1.683 0 50 FDAA O=C(Nc1cc(N2CCOCC2)ccc1Cl)N[C@H]1C=CS(=O)(=O)C1 96152511 ZONKZBUDGVJHMQ-NSHDSACASA-N 371.846 1.609 0 50 FDAA O=C(O)[C@@H]1CN(C(=O)CCCn2ccnc2)C[C@H]1c1ccc2c(c1)OCO2 92021094 YKXYUVCSVCFGAW-LSDHHAIUSA-N 371.393 1.719 0 50 FDAA COC(=O)N1CCN(c2ccc(NC(=O)Cc3cccnc3C)cn2)CC1 294024037 JOENVOJMUDUUPF-UHFFFAOYSA-N 369.425 1.855 0 50 FDAA c1ncn(Cc2nnc(C3CCN(Cc4c[nH]cn4)CC3)n2C2CC2)n1 91846625 CEZWBURNWPGLLT-UHFFFAOYSA-N 353.434 1.356 0 50 FDAA C/C=C/CC(=O)N1C[C@H](NC(=O)Cc2cccc(O)c2)C[C@H]1C(=O)NCC 96132796 NZQSMRJPCMWABM-LDHYMBSASA-N 373.453 1.123 0 50 FDAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cnoc2C)CN1CCc1ccccc1 91792706 OWLPEKXHNXLEGL-AEFFLSMTSA-N 370.453 1.535 0 50 FDAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1cc(=O)n(-c2ccccc2)[nH]1 244633640 GGRFPKUSPHRRQF-ZXYWRSMDSA-N 364.405 1.803 0 50 FDAA Nc1nc(NC2CCN(Cc3cccnc3)CC2)cc([C@H]2C[C@@H](O)C2)n1 244678484 IEFPTSNEDOIAPE-FZNQNYSPSA-N 354.458 1.769 0 50 FDAA CN1C(=O)[C@]2(CCCN(CC(=O)Nc3ccn(C)n3)C2)c2ccccc21 244882864 YASZRMPOTLKBIW-IBGZPJMESA-N 353.426 1.369 0 50 FDAA Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2cc(C(F)(F)F)n(C)n2)CC1 299776006 MRIHCMZKJUUCLX-ZDUSSCGKSA-N 371.363 1.758 0 50 FDAA O=C(CCCOCc1ccccc1)N1CC[C@H]2OCc3cnnn3[C@H]2C1 299784788 QHAVDCHJMCAHMO-ZWKOTPCHSA-N 356.426 1.947 0 50 FDAA CCCn1ncnc1[C@H](C)NC(=O)Nc1cc(-n2cnnn2)ccc1C 299802990 TWYWLKMBBASSEM-LBPRGKRZSA-N 355.406 1.855 0 50 FDAA COc1cccc(N2C[C@H](NC(=O)c3cnc(N(C)C)nc3C)CC2=O)c1 299787977 ULUVCPSNCDTLJV-CYBMUJFWSA-N 369.425 1.395 0 50 FDAA COCCN1CC[C@@H](CNS(=O)(=O)c2ccc3nc(C)sc3c2)C1 824412435 RDTPWEOMWHCXOW-ZDUSSCGKSA-N 369.512 1.851 0 50 FDAA O=S(=O)(N1CCOCC1)N1CCC[C@@H](COc2ccccc2F)C1 670454658 QSZTVDDAKVSDMX-CQSZACIVSA-N 358.435 1.494 0 50 FDAA CN(C)c1ncccc1C(=O)N[C@H]1CCOC[C@@H]1OCc1ccccn1 1565525238 COYCYAXPZCRJBU-IRXDYDNUSA-N 356.426 1.647 0 50 FDAA CC(C)[C@H]1CN(C(=O)c2ccc(-n3cnnc3)cc2)C[C@@H]1NC(=O)N(C)C 1565506348 ZWMUJBNAUVAUHI-SJORKVTESA-N 370.457 1.635 0 50 FDAA Nc1cccc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(C(=O)O)cc2)n1 1565515316 HHYQHIFEVBRDSY-ZFWWWQNUSA-N 357.366 1.328 0 50 FDAA CO[C@H]1COCC[C@@H]1NC(=O)CCCn1nnc(-c2ccc(F)cc2)n1 1565525779 AQFBBCHKEAYKFI-GJZGRUSLSA-N 363.393 1.180 0 50 FDAA CCc1nc(COc2ccc(C(=O)N3CCOC[C@H]3C(=O)O)cc2)no1 268986471 QKKQVANNHVARLE-ZDUSSCGKSA-N 361.354 1.137 0 50 FDAA COC[C@@H]1CCCN1S(=O)(=O)N(C)Cc1nc2ccc(F)cc2[nH]1 952969965 NMQIFJDQVZNQBK-LBPRGKRZSA-N 356.423 1.489 0 50 FDAA CN(Cc1nccc(N)n1)[C@@H]1CCN(C(=O)Cc2ccc(Cl)cc2)C1 276504239 PQYXSPFDUMMUTJ-OAHLLOKOSA-N 359.861 1.988 0 50 FDAA CNC(=O)c1ccn([C@H]2CCCN(c3cncc(-n4cccn4)n3)C2)n1 278829471 UVVRXKPSYXMRLX-ZDUSSCGKSA-N 352.402 1.060 0 50 FDAA CN1C[C@@H](C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)CC1=O 408036299 RHDLNDXTFJYXLE-MNOVXSKESA-N 358.364 1.623 0 50 FDAA CC(=O)N[C@@H]1CCCN(C(=O)CN2CCCN(c3ccccc3)CC2)C1 193781319 GBELEFGGRHTXNW-GOSISDBHSA-N 358.486 1.326 0 50 FDAA CCn1cnc2c(c1=O)CCN(C(=O)COc1ccc(C)cc1OC)C2 194330422 TVPUQGSZOAIJMB-UHFFFAOYSA-N 357.410 1.544 0 50 FDAA O=C1CC[C@H](Sc2nc(O)c3cnn(-c4ccccc4)c3n2)C(=O)N1 765825242 CWBOJSGDPHOWIW-NSHDSACASA-N 355.379 1.418 0 50 FDAA CC(C)Cc1ccc(CN2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)cc1 1529167373 HUQZZYJGCWSPGT-ZWKOTPCHSA-N 354.516 1.569 0 50 FDAA CCn1ccc2c(CN3C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C3)cccc21 1529114596 QOWKJSIEBHIUEH-MAUKXSAKSA-N 365.499 1.345 0 50 FDAA COC(=O)N[C@H](C)C(=O)N1CCC2(CC1)OCCc1cc(OC)ccc12 1704299790 KHFNTHSAEXJLKG-CYBMUJFWSA-N 362.426 1.830 0 50 FDAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc(-c4nc[nH]n4)cc3)C[C@H]2O)n[nH]1 1704352855 KGRMCTQGUYDRJV-GDBMZVCRSA-N 352.398 1.179 0 50 FDAA Cc1nc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3CCc3cnc[nH]3)C2)c(C)o1 219292649 NVZLHSAUVDGDEQ-ZBFHGGJFSA-N 371.441 1.710 0 50 FDAA O=C([C@H]1CCc2sc(N3CCOCC3)nc2C1)N1C[C@H]2COC[C@H]2C1 1772818754 KLGXNCJDMMHFKE-MELADBBJSA-N 363.483 1.189 0 50 FDAA O=C(N1CCCN(CCOCCO)CC1)C12CC3CC(CC(C3)C1)C2 1772706429 QJUSTCPAZAJDEX-UHFFFAOYSA-N 350.503 1.746 0 50 FDAA CCN(C[C@@H]1CCCO1)C(=O)Cn1cc(NC(=O)c2ccccn2)cn1 12190712 BCEIICNPELOBLC-HNNXBMFYSA-N 357.414 1.558 0 50 FDAA O=C1CC[C@H](C(=O)N2CCOCC2)CN1CCc1ccc(Cl)cc1 12473193 YSNHWAZFVZTLCI-HNNXBMFYSA-N 350.846 1.980 0 50 FDAA CC[C@H](C(=O)NC[C@@H]1CCCO1)N(c1ccc(F)cc1)S(C)(=O)=O 13715396 NOWSMIZZJWTDRR-LSDHHAIUSA-N 358.435 1.666 0 50 FDAA CC[C@H](C)[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccc(F)cc3)CN2C1=O 14732816 UADHOYYZYZZYGV-HJPIBITLSA-N 362.405 1.461 0 50 FDAA CN(C[C@H]1COCCO1)C(=O)c1cc(Cn2ccc3ccccc32)[nH]n1 15074777 GESWUCIYKGLFOC-INIZCTEOSA-N 354.410 1.900 0 50 FDAA Cc1cc(-n2cccn2)nc(N2CC[C@@H](C3CC3)[C@H]2c2nnc(O)n2C)n1 1857527454 LKVLCEHIAMBIBR-ZFWWWQNUSA-N 366.429 1.782 0 50 FDAA CN1C(=O)CCO[C@H]2CN(C(=O)Cc3csc(-c4ccccc4)n3)C[C@@H]21 1857671831 SCSDCDAIDIOBHN-HOTGVXAUSA-N 371.462 1.811 0 50 FDAA CCc1nc(CN(C)C(=O)[C@@H]2CC(=O)N(c3nnc(CC)s3)C2)no1 1857722303 GNNUSVCUDRVPJE-SECBINFHSA-N 364.431 1.057 0 50 FDAA COCCN(C)CC(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1 1857732463 RHVMWYKBBORENJ-UHFFFAOYSA-N 356.470 1.593 0 50 FDAA CN1C[C@H]2COC[C@@H]1CN(S(=O)(=O)c1cccc(C(F)(F)F)c1)C2 1875249902 IZJFHLXGVWCKDE-YPMHNXCESA-N 364.389 1.657 0 50 FDAA Cc1cccc(Cn2c(N3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)c1 629040 BRRZFZPLUMWRSH-UHFFFAOYSA-N 367.453 1.781 0 50 FDAA CN1CCCC[C@H]1CN1CCN(C(=O)c2cnn([C@@H]3CCCNC3)c2)CC1 333314037 SIQFXRMSOWPTFO-MOPGFXCFSA-N 374.533 1.050 0 50 FDAA COCCN1C[C@H]2CN(C(=O)c3ccc(SC)cc3)C[C@@]2(C(=O)O)C1 247890048 SYNAVXWPRIUOED-KSSFIOAISA-N 364.467 1.514 0 50 FDAA CC1(C)[C@H](O)C[C@H]1NC(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1 365980471 HYZLZBFPCPVDRA-HUUCEWRRSA-N 367.467 1.285 0 50 FDAA Cc1ccc2[nH]c(C(=O)N3C[C@H]4COC[C@@H]3CN(CC(=O)O)C4)cc2c1 1704316405 ZQVBYIZMODLBAA-ZFWWWQNUSA-N 357.410 1.334 0 50 FDAA CC(C)NC(=O)c1nnc2n1CCN(C(=O)OC(C)(C)C)C(C)(C)C2 865214628 CNXRHJVIZQHLRY-UHFFFAOYSA-N 351.451 1.988 0 50 FDAA C=CC(=O)NCC(=O)N1CCC[C@@H](c2ncc(Br)cn2)C1 1875371685 IXWOVPRMWIMNIS-SNVBAGLBSA-N 353.220 1.247 0 50 FDAA CCCc1ccc(Cl)c(S(=O)(=O)N2C[C@@H](O)[C@H](CC(=O)NC)C2)c1 1875398936 JSWAURXFGLEFOU-TZMCWYRMSA-N 374.890 1.410 0 50 FDAA CN(C)Cc1ccc(C(=O)N[C@@H]2C[C@H](Cn3cc(Cl)cn3)C[C@H]2O)o1 1875402884 NDFCIUOQNGQDQO-NILFDRSVSA-N 366.849 1.761 0 50 FDAA C[C@@H]1CN(c2ncnc3c2ncn3CC2(O)CCOCC2)C[C@@H](C2CC2)O1 888097515 JZXNASUQBJQJJI-HIFRSBDPSA-N 373.457 1.372 0 50 FDAA CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1cccc(-n3cnnc3)c1)C2 1073372440 AOJCVCSUSYKRJR-PBHICJAKSA-N 368.441 1.485 0 50 FDAA CN1CCN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 96569063 GLAGTDSBIHVAMV-CYBMUJFWSA-N 352.232 1.328 0 50 FDAA C[C@H]1CN(C2CC2)CCN1C(=O)c1ccc(N(C)S(C)(=O)=O)cc1 2100555645 ZVOOJPNESNJVIK-ZDUSSCGKSA-N 351.472 1.391 0 50 FDAA NC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)CC1 100153627 UMMYLBGDOPRQOH-ZDUSSCGKSA-N 353.781 1.308 0 50 FDAA C[C@H]1CN(C(=O)NCCCN2CCS(=O)(=O)CC2)CCC(F)(F)C1 2325780549 SYXDJIPFPYWKSR-CYBMUJFWSA-N 367.462 1.184 0 50 FDAA CO[C@H]1C(C)(C)CN(C(=O)NCCN2CCN(C)C(C)(C)C2)C1(C)C 2325784609 ZDSMMKQUZCDDRH-HNNXBMFYSA-N 354.539 1.857 0 50 FDAA C=CC(=O)N(C)CC(=O)N1CCc2c(OC)ccc(Br)c2C1 2325885771 NKNIYVPEBHRRDR-UHFFFAOYSA-N 367.243 1.987 0 50 FDAA O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)[C@H]1CCCC[C@H]1C(=O)O 794617 VGHQPCFZJGPBEK-JKSUJKDBSA-N 360.410 1.989 0 50 FDAA CCOC(=O)C(C(=O)OCC)[C@@H](NC(=O)OC)C(Cl)(Cl)Cl 2559389 SNCKPYPSYRJYTP-SSDOTTSWSA-N 364.609 1.824 0 50 FDAA COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2=NCCS2)cc1 3173023 LGZLXEKMLHPFFB-CYBMUJFWSA-N 369.468 1.067 0 50 FDAA Cn1nc(-c2cccnc2)cc1NC(=O)[C@H](c1ccccc1)n1cnnn1 2356167540 ROALSWXBSPPBEZ-KRWDZBQOSA-N 360.381 1.697 0 50 FDAA CC(C)COc1ccc(C(=O)NCCC(=O)NCCCC(=O)O)cc1 4024408 RDRQLSXDIKWLQP-UHFFFAOYSA-N 350.415 1.822 0 50 FDAA biogenic COCCNC(=O)c1nc(Cn2c(C(F)(F)F)nc3ccccc32)no1 6700585 QPKAPQIECBFEGE-UHFFFAOYSA-N 369.303 1.863 0 50 FDAA Cc1nc(CN2CCN(C(=O)Cc3ccc(-n4cccn4)cc3)CC2)no1 112295558 DYCYQEIAZIOXPY-UHFFFAOYSA-N 366.425 1.451 0 50 FDAA CCN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)CC1 9489332 SSHJEYZVNDHYRC-UHFFFAOYSA-N 365.499 1.557 0 50 FDAA CCOc1ccc(NC(=O)CC(=O)N2CC[C@@]3(CCCN(C)C3=O)C2)cc1 67650355 YVCDOFAAUKHVBF-FQEVSTJZSA-N 373.453 1.885 0 50 FDAA Cc1nc(NCCNS(=O)(=O)c2ccccc2)cc(N2CCCC2)n1 67601977 RIIXVVDGWZQJLX-UHFFFAOYSA-N 361.471 1.776 0 50 FDAA CC(C)N1CC[C@@H](CNC(=O)c2cc(CN3CCC(O)CC3)on2)C1 67640979 UAMQMQDECZENNP-AWEZNQCLSA-N 350.463 1.091 0 50 FDAA CS(=O)(=O)N1C[C@@H](C(=O)NC2CCCC2)Oc2ccc(Cl)cc21 6928562 YVJZBICPTAKKMA-AWEZNQCLSA-N 358.847 1.926 0 50 FDAA CC[C@@H]1CN(S(=O)(=O)N2CCCC2)CCC(=O)N1Cc1ccccc1 71752241 KKVIEDMNKLPZQX-QGZVFWFLSA-N 365.499 1.840 0 50 FDAA COc1cccc(CN2CCC[C@@](O)(CNCCc3noc(C)n3)C2=O)c1 67678493 RSLMAGJTVIYMMH-LJQANCHMSA-N 374.441 1.072 0 50 FDAA C[C@@H]1CNC(=O)CCN1Cc1ccc(OCC(=O)N2CCCCC2)cc1 67743645 FCXHODNHFAHGHE-MRXNPFEDSA-N 359.470 1.788 0 50 FDAA Cc1nc([C@H]2CCCN(c3nc4c(c(O)nc(=O)n4C)n3C)C2)sc1C 329658744 NMDHRIQCOLBAGS-NSHDSACASA-N 374.470 1.830 0 50 FDAA CCC(CC)N1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2ccno2)[C@@H]3C1=O 77393840 MMMAXHZZMNHNJK-GGXPGOJBSA-N 359.426 1.604 0 50 FDAA CCn1cc(NC(=O)c2ccc(=O)n(-c3ccccc3F)n2)ccc1=O 124514274 VZTLVJZPSBETHO-UHFFFAOYSA-N 354.341 1.806 0 50 FDAA CN(C)C(=O)CCc1nc2cc(S(=O)(=O)N3CCCC3)ccc2n1C 77377738 XVXQDCPNAPXAOM-UHFFFAOYSA-N 364.471 1.379 0 50 FDAA Cc1noc([C@H]2C[C@H](O)CN2CC2CCN(C(=O)CC(C)C)CC2)n1 328683956 DTYHPEXAIYKONZ-JKSUJKDBSA-N 350.463 1.770 0 50 FDAA Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)N1CCC[C@@H](N(C)C)CC1 72161868 ZUPWNUDBLWMEHI-GFCCVEGCSA-N 353.444 1.534 0 50 FDAA CC(C)n1c([C@H]2OCC[C@H]2C)nn(Cc2nsc(N(C)C)n2)c1=O 328621986 AUTSUQKYMJECHL-PWSUYJOCSA-N 352.464 1.689 0 50 FDAA CS(=O)(=O)N1CCO[C@H](c2nnc([C@H]3Cc4cccc(F)c4O3)o2)C1 328632983 LRQJVEYVFVHXDU-NEPJUHHUSA-N 369.374 1.218 0 50 FDAA Cc1ccc(N2CCCN(C(=O)c3cn(C4CC4)c(C)cc3=O)CC2)nn1 328792709 RNEWYGWMSBKJRW-UHFFFAOYSA-N 367.453 1.943 0 50 FDAA C[C@H](NC1CCN(S(=O)(=O)C2CCOCC2)CC1)c1ccncc1 329200220 XFKWAAPKLMRLIA-AWEZNQCLSA-N 353.488 1.705 0 50 FDAA COc1cc(CNC(=O)[C@H]2CC3(CCNCC3)CN2)ccc1OC(C)C 72169753 GBVPZZKSRXIZBK-MRXNPFEDSA-N 361.486 1.830 0 50 FDAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCSCC2)[C@@H]3C1=O 77504930 OABIAYGDSGIJKU-MKSNKDDYSA-N 364.511 1.780 0 50 FDAA O=C(O)CCN(C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)C1CCOCC1 371289966 QXZSKTLUKMPKRI-INIZCTEOSA-N 374.437 1.517 0 50 FDAA NS(=O)(=O)c1ccc(C(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)o1 332447135 DCUQYYZMKVVHBU-ZDUSSCGKSA-N 372.443 1.117 0 50 FDAA Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(C(=O)N2CCOCC2)C1 77339543 HPDUDUYTPGSSAB-OAHLLOKOSA-N 362.478 1.043 0 50 FDAA O=C(N[C@@H]1CC(=O)N2CCCC[C@H]12)N1CCC(Oc2cnccn2)CC1 374942578 HMDXSGYFGORCLF-HUUCEWRRSA-N 359.430 1.183 0 50 FDAA O=C(Cn1nc2ccccc2n1)N1CCC([C@H](O)c2ccccn2)CC1 219845205 LREWGHCWFMCEQV-IBGZPJMESA-N 351.410 1.799 0 50 FDAA Cc1c(/C=C/C(=O)N2CCN(C)[C@H](c3nc(C4CC4)no3)C2)cnn1C 375340141 BSOOVEDATHDPJA-LFAOLKIESA-N 356.430 1.517 0 50 FDAA CCNC(=O)C(C)(C)CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O 378227302 WSAMYFXJQUUFAN-AWEZNQCLSA-N 361.442 1.275 0 50 FDAA Cc1cc(C)n(Cc2cccc(C(=O)N3CCOC[C@H]3CC(=O)O)c2)n1 72134725 FESMFTVKGDDZTN-QGZVFWFLSA-N 357.410 1.864 0 50 FDAA CN(C)CCN1C[C@@H](C(=O)NCCc2ccccc2C(F)(F)F)CC1=O 73033374 CQLYQVBYMVMAMW-AWEZNQCLSA-N 371.403 1.774 0 50 FDAA Cn1ccnc1CN(C(=O)C[C@H]1C(=O)NCCN1CC(C)(C)C)C1CC1 72125318 IABIAMNZALPJCU-HNNXBMFYSA-N 361.490 1.148 0 50 FDAA C[C@H]1CN(C2CCN(C(=O)[C@@H](N)Cc3ccc(O)cc3)CC2)C[C@@H](C)O1 72435849 WSVCERGDCWZOPD-KHYOSLBOSA-N 361.486 1.362 0 50 FDAA Cc1cc(NC(=O)N2CCN(c3ccnc(C)n3)CC2)cc(C(N)=O)c1 455836245 MWAKZOMBCZIUFB-UHFFFAOYSA-N 354.414 1.546 0 50 FDAA Cn1nccc1[C@H]1[C@H](CNC(=O)CCn2cncn2)CCCN1C1CC1 286335090 JZCGIJLGLGENTB-KBXCAEBGSA-N 357.462 1.134 0 50 FDAA O=C(CCc1nc2ccccc2[nH]1)N1CCN(C(=O)c2ccc[nH]2)CC1 220748134 LHMNFIFNNVUREG-UHFFFAOYSA-N 351.410 1.808 0 50 FDAA Cc1noc2ncc(S(=O)(=O)N3CC[C@@H](Oc4cccnc4)C3)cc12 132678732 PUWSGRUAOOBWOS-CYBMUJFWSA-N 360.395 1.768 0 50 FDAA O=C(Cn1cc(Cl)cn1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 288496436 RBMYWXFFYBKOGN-QGZVFWFLSA-N 362.861 1.944 0 50 FDAA CCn1c(CN(C)C)nnc1C1CCN(Cc2cnc(COC)nc2)CC1 82098368 CWDGKIVWBFWCNX-UHFFFAOYSA-N 373.505 1.676 0 50 FDAA COc1cc(C(=O)O)cc(C(=O)N[C@@H]2CCCN(c3cnccn3)C2)c1 426425509 USKLYRBSFBUZCF-CQSZACIVSA-N 356.382 1.582 0 50 FDAA CC(=O)N[C@H]1CCCN(C(=O)CN(C)Cc2nc3c(s2)CCCC3)C1 177784596 SOJDUVNENTUVTC-AWEZNQCLSA-N 364.515 1.581 0 50 FDAA Cc1cccc2[nH]c([C@H]3CCCN(C(=O)Cc4c[nH]c(=O)[nH]c4=O)C3)nc12 77453142 XNKGCAQDANRGCY-LBPRGKRZSA-N 367.409 1.197 0 50 FDAA O=C(NC1CCN(c2cnccn2)CC1)c1cnc(-c2ccccn2)nc1 426445432 CNRHQOBXWWVMNV-UHFFFAOYSA-N 361.409 1.727 0 50 FDAA COC(=O)c1ccc(-c2ccc(C(=O)N3CC[C@@](O)(CO)C3)cc2)cc1 426618093 INFNVIHZLLEQCJ-FQEVSTJZSA-N 355.390 1.710 0 50 FDAA O=C(NCc1nc(-c2ncccn2)no1)c1cccc([C@H]2CCCNC2)c1 95371983 RUZLVDIGOQSLQI-HNNXBMFYSA-N 364.409 1.924 0 50 FDAA O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@@H]1CCCN2CCCC[C@@H]12 230203314 ICTWSXFMLFGJKR-YOEHRIQHSA-N 370.453 1.071 0 50 FDAA biogenic O=C(CCN1CC[C@@H](NC(=O)c2ccccc2)[C@H](O)C1)Nc1cccnc1 426420143 OTYBZRBXWXKZDI-QZTJIDSGSA-N 368.437 1.275 0 50 FDAA NC(=O)[C@@H]1CCCN(CCNC(=O)c2ccc3cccc(Cl)c3n2)C1 97797225 KCTICDDRHULGGQ-CYBMUJFWSA-N 360.845 1.815 0 50 FDAA CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1 95392101 KKWDSNTVDYWVKM-AWEZNQCLSA-N 356.474 1.676 0 50 FDAA CC(=O)N1C[C@H](c2ccccc2)[C@@H](NC(=O)CCCN2CCOCC2)C1 92046172 AJVFUEGHXCPQRB-MOPGFXCFSA-N 359.470 1.230 0 50 FDAA Cc1ccc2nc(C(=O)N3CCC[C@@H](c4nccn4CC(N)=O)C3)cn2c1 95503535 LSSNJMYHSLDZGP-CQSZACIVSA-N 366.425 1.344 0 50 FDAA CN(C)S(=O)(=O)[C@H]1CCCN(c2ncnc3c2ncn3C2CC2)C1 292689385 JEXDWMMGSHDZQB-LBPRGKRZSA-N 350.448 1.021 0 50 FDAA O=C(NC1CCCC1)N1C[C@H]2CN(Cc3cccnc3)C[C@@]2(C(=O)O)C1 92061576 OSIFKWSGLYQUJL-DNVCBOLYSA-N 358.442 1.552 0 50 FDAA Cc1cc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)no1 91966107 NBAIYNJLKGDNED-UHFFFAOYSA-N 369.425 1.632 0 50 FDAA O=C(N1CCOCC1)N1CCC(c2nccn2Cc2cccnc2)CC1 91907063 BVZQGKAVVZONSX-UHFFFAOYSA-N 355.442 1.958 0 50 FDAA O=C([C@H]1CCCNC1)N1CCN(c2nccc(-c3ccccc3)n2)CC1 96153109 JMTYONPGIGWURG-KRWDZBQOSA-N 351.454 1.792 0 50 FDAA Cc1nnnn1-c1ccc(NC(=O)N2CCC3(CC2)C[C@H](O)CO3)cc1 95531220 XXGLHBJSIZBDJI-HNNXBMFYSA-N 358.402 1.118 0 50 FDAA CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCc2n[nH]c(C(=O)NC)c2C1 243919550 BOUYUXHOBLEVNX-MRXNPFEDSA-N 371.441 1.553 0 50 FDAA CCn1ccnc1CN(CC(=O)Nc1cc(C)no1)[C@H]1CC12CCNCC2 435693832 NOLHOZPPUDUHMW-HNNXBMFYSA-N 372.473 1.782 0 50 FDAA N[C@H]1[C@H](O)[C@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@H]1OCc1ccccc1 257347264 BOSPELTZTUYCQA-UHBLESBASA-N 357.406 1.731 0 50 FDAA COC(=O)c1noc(C)c1-c1cccc(C(=O)NCCCn2ccnn2)c1 534642887 RGIFIAQIIUCSDH-UHFFFAOYSA-N 369.381 1.848 0 50 FDAA COC[C@@H](NC(=O)N1CCCN(c2ccnc(C)c2)CC1)c1ccnn1C 534672299 OWBDWLCIEIHKTO-QGZVFWFLSA-N 372.473 1.733 0 50 FDAA CC(C)C(=O)N1CCn2nc(CNC(=O)NCc3ccsc3)cc2C1 534654383 VSGVVHWDOALFIB-UHFFFAOYSA-N 361.471 1.942 0 50 FDAA CN(CCc1nc2cc(Cl)ccc2[nH]1)C(=O)[C@@H]1CCC(=O)NC(=O)N1 299783173 FHVLOHCLJFAHMA-NSHDSACASA-N 363.805 1.205 0 50 FDAA Cc1c(-c2nc(CC(N)=O)nn2-c2ccc3c(c2)OCCO3)ccn1C 826842494 WWYDAZWTPOXBBB-UHFFFAOYSA-N 353.382 1.380 0 50 FDAA CCc1nc(CN(C)C(=O)NCc2cc3c(cc2OC)OCCO3)no1 584890111 RDZZWBNZYCGCOB-UHFFFAOYSA-N 362.386 1.753 0 50 FDAA CCCN1CCC[C@H](NS(=O)(=O)c2c(C)cc(C)c3nonc23)C1 670444063 ZLGHTGYAFGVCIL-ZDUSSCGKSA-N 352.460 1.992 0 50 FDAA COc1cccc(S(=O)(=O)NC[C@@H]2CC(=O)N(C3CCCC3)C2)c1 670451681 KXPLIDSECCGENW-ZDUSSCGKSA-N 352.456 1.765 0 50 FDAA COc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c2c1CCCC2 670461891 GBECZCQKMCSYLH-LLVKDONJSA-N 359.469 1.039 0 50 FDAA COCCN1CC[C@H](CNC(=O)C2CCN(C(=O)C3CCC3)CC2)C1 670453465 XIFXMQIMDPNGOT-OAHLLOKOSA-N 351.491 1.110 0 50 FDAA CCCc1noc(CN(C)S(=O)(=O)c2csc(C(=O)NC)c2)n1 952984767 RPKDOYJTNMNNND-UHFFFAOYSA-N 358.445 1.264 0 50 FDAA COc1cccc(CC(=O)N[C@H]2CCN(C(=O)c3ccccc3)C[C@@H]2O)c1 1565508018 IOGCBYJFQGDSIS-OALUTQOASA-N 368.433 1.630 0 50 FDAA O=C(C1CCC1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1ccc2nn[nH]c2c1 1565508021 MKDPAQRTCRKTRL-DOMZBBRYSA-N 353.426 1.821 0 50 FDAA O=C(N[C@H]1CCOC[C@@H]1OCC1CCC1)c1ccc(-n2cnnc2)cc1 1565511924 CMZMZRIHXVENTL-ROUUACIJSA-N 356.426 1.971 0 50 FDAA O=C([C@@H]1CCN(c2ccc(F)cc2)C1=O)N1CCC(Cn2ccnn2)CC1 270041128 DSIOHQWJNSPGDP-KRWDZBQOSA-N 371.416 1.709 0 50 FDAA CCN1CCOC[C@H]1C(=O)NS(=O)(=O)c1ccc2c(c1)CCCC2 408297864 MBNCTUBEWDSZBE-INIZCTEOSA-N 352.456 1.091 0 50 FDAA C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C)c1ccc(Cl)cn1 194678308 PNDMFJAZMSLSSH-JTQLQIEISA-N 370.862 1.815 0 50 FDAA NC(=O)CN1CCC(Nc2nc(-c3cccnc3)nc3c2CCC3)CC1 768516984 JFHSOTWFDMORIU-UHFFFAOYSA-N 352.442 1.389 0 50 FDAA O=C([C@@H]1CCCCn2nnnc21)N1CCCN(c2ccc(F)cc2)CC1 1506407859 ZACSFICJDWMJOI-MRXNPFEDSA-N 358.421 1.819 0 50 FDAA CN(Cc1cccc2cccnc12)S(=O)(=O)N1CCC[C@@H](C(=O)O)C1 1506395573 BFGNRJXNAQHCJK-OAHLLOKOSA-N 363.439 1.708 0 50 FDAA COc1ccc(C(=O)N2CCCN(C(=O)c3cc(N)ccn3)CC2)c(C)c1 1529185614 OPWRBVWXIJSWDD-UHFFFAOYSA-N 368.437 1.969 0 50 FDAA CC(C)[C@H]1CN(c2nc3c(cc2C(=O)O)CCC3)C[C@@H]1NS(C)(=O)=O 216375868 NJKUYUADRJCSBO-HIFRSBDPSA-N 367.471 1.279 0 50 FDAA O=C(c1csc2c1CCCC2)N1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1 11874082 FXYLPBINYAJCDM-IAGOWNOFSA-N 364.511 1.659 0 50 FDAA CN(C)[C@H]1CCN(C(=O)c2cn(Cc3ccc(F)cc3Cl)nn2)C1 11878990 ARVKPPVLEPTPHE-ZDUSSCGKSA-N 351.813 1.895 0 50 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1.861 0 50 FDAA Fc1ccccc1-n1cc(CN2CCN(CCn3cncn3)CC2)cn1 97578862 ZBLBIEITHHEZPI-UHFFFAOYSA-N 355.421 1.421 0 50 FDAA O=C1CCC2(CCN(C[C@H]3CC(c4ccccc4)=NO3)CC2)CN1CCO 91643745 FJMBGAUAEFMICJ-GOSISDBHSA-N 371.481 1.877 0 50 FDAA COCCN(Cc1nccs1)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 91636963 UWUHECIKUNDVIO-CYBMUJFWSA-N 351.472 1.909 0 50 FDAA Cc1nc(C)c(CC(=O)N2CCC[C@@H](c3nccn3CC(N)=O)C2)s1 95519986 MUYRCRAOWYYFJR-CYBMUJFWSA-N 361.471 1.390 0 50 FDAA CC(C)NC(=O)c1ccc(NC(=O)NCCN2CCOCC2)cc1Cl 95509717 KOAJCLCNTNFJIN-UHFFFAOYSA-N 368.865 1.932 0 50 FDAA COC(=O)[C@H]1N[C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 526056091 SLQQSOOVHAQLHB-MLHJIOFPSA-N 364.401 1.987 0 50 FDAA CN1CCC(Cc2nc(-c3cc(=O)c4ccccc4[nH]3)n(CCO)n2)CC1 96180853 VVVSZHNKNXOCBV-UHFFFAOYSA-N 367.453 1.663 0 50 FDAA O=C(Nc1ccccc1-c1ccco1)N1CCN[C@H]2CS(=O)(=O)C[C@H]21 96140404 GLRCUCXZADLNEF-LSDHHAIUSA-N 361.423 1.549 0 50 FDAA CC(C)C[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C(=O)O)C(C)C)CC1 247965510 HISLPUFPHKNBQQ-YHUYYLMFSA-N 369.506 1.508 0 50 FDAA biogenic C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC(=O)N1 295964488 HZLSNMMCHPYMPG-ZETCQYMHSA-N 356.753 1.868 0 50 FDAA COCCCn1cnnc1CNC(=O)c1cn2c3c(cccc3c1=O)CC2 244795695 RLYNPIDOCRTDHA-UHFFFAOYSA-N 367.409 1.116 0 50 FDAA C[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1)C(=O)O 299738481 BIFWMDLGOOQYEB-KDDOJWQBSA-N 358.316 1.814 0 50 FDAA COc1ccc(N2C[C@H](C(=O)N(C)C[C@@H](C)C(=O)O)CC2=O)cc1OC 299748866 IMPBDHPCNBIDPF-VXGBXAGGSA-N 364.398 1.236 0 50 FDAA CS(=O)(=O)N1CCCC[C@H]1CCNC(=O)Cc1cn2ccsc2n1 299773874 GFIVQRYKTFVCAP-ZDUSSCGKSA-N 370.500 1.259 0 50 FDAA CN(C)c1ccc(CCC(=O)N2CC[C@H]3[C@H](C2)OCc2cnnn23)cc1 299797629 RZUBIMDHCJYLIN-ROUUACIJSA-N 355.442 1.649 0 50 FDAA COc1cccc(-c2noc(CCCC(=O)N[C@@H]3CCCNC3=O)n2)c1 299779163 QDABTYGYBNLHCE-CQSZACIVSA-N 358.398 1.463 0 50 FDAA COCCn1cncc1CNC(=O)c1ccc(C)c(N2CCNC2=O)c1 299791555 DQLBMYDEFOSLMU-UHFFFAOYSA-N 357.414 1.298 0 50 FDAA COCC(=O)NCc1cc2n(n1)CCN(Cc1ccc3c(ccn3C)c1)C2 299758236 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LHUAYZIKZLLSBR-GDBMZVCRSA-N 367.453 1.658 0 50 FDAA O=C(CCc1ccncn1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 191870955 OGYNOLIKDYUXFV-UHFFFAOYSA-N 350.426 1.630 0 50 FDAA Cc1c(-c2ccccc2)nn(C)c1NC(=O)[C@@H]1CCc2nn(C)c(=O)n2C1 1529174680 WSTPOHUFSHIWLH-CQSZACIVSA-N 366.425 1.492 0 50 FDAA COc1ccc(CCC(=O)N2C[C@@H](O)[C@H](Cc3cc(C)no3)C2)cc1OC 1529099261 VFPODPPSJIOJSE-NVXWUHKLSA-N 374.437 1.995 0 50 FDAA CN1C[C@@H]2C[C@H](N(C)C(=O)Cn3cnc4ccccc4c3=O)C[C@@H]2CC1=O 1529184694 CYPQOAXHORVBIZ-QLFBSQMISA-N 368.437 1.112 0 50 FDAA O=C(O)CN1C[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)ccc1Cl)C2 1704307599 BSTAZOOQNQMQNB-PWSUYJOCSA-N 356.781 1.337 0 50 FDAA Cc1noc(C)c1C(=O)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)C1 219946405 SIEXZOYRSGONMZ-OLZOCXBDSA-N 358.350 1.961 0 50 FDAA COc1cc2nc(N3CCC4(CC3)CN(C)CCO4)nc(N)c2cc1OC 1772807530 YLCWNVGHBIJDCT-UHFFFAOYSA-N 373.457 1.530 0 50 FDAA CCOCCC(=O)N1C[C@@H]2CN(C(=O)C3CCCC3)C[C@@]2(CN(C)C)C1 1772708277 FKZHECROIWLWSR-YLJYHZDGSA-N 365.518 1.452 0 50 FDAA Cc1ccc2nc(CCNC(=O)c3cc(N4CCOCC4)no3)[nH]c2c1C 1772806009 XBIZNYKRXIEIRX-UHFFFAOYSA-N 369.425 1.977 0 50 FDAA CCN(Cc1nccn1C)C(=O)c1ccc(N2CCN3CCC[C@@H]3C2)nc1 12317874 MRRZTBRDDHJMGS-QGZVFWFLSA-N 368.485 1.762 0 50 FDAA COCCC(=O)N1CCC[C@@H](CNS(=O)(=O)c2ccc(OC)cc2)C1 12386864 GGVFUYLBQRFNOT-AWEZNQCLSA-N 370.471 1.249 0 50 FDAA O=C(NC1CC1)[C@H]1CCCN(C2CCN(CCCn3cccn3)CC2)C1 12438557 JXDQOLJBDJJDKI-KRWDZBQOSA-N 359.518 1.728 0 50 FDAA Cc1ccc(F)cc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@H](C(C)C)C(=O)N2C1 14543477 BBOMQCIPQFFDCQ-AEGPPILISA-N 362.405 1.380 0 50 FDAA CC(=O)c1sc2nc(SCC(=O)N3CCOCC3)nc(O)c2c1C 16393766 IULWNUNLIWPYTP-UHFFFAOYSA-N 367.452 1.859 0 50 FDAA CCOC(=O)c1nn(CCO)c2c1CN(C1Cc3ccccc3C1)CC2 19731605 BCTASMJCQQSEOH-UHFFFAOYSA-N 355.438 1.578 0 50 FDAA NC(=O)c1ncoc1[C@@H]1[C@H]2C[C@H]1N(C(=O)c1ccnc(OC3CCC3)c1)C2 1857531946 GEXNYGAJHPKXLE-NJZAAPMLSA-N 368.393 1.728 0 50 FDAA O=C(CCn1cnc2ccccc21)N[C@@H]1CN(C2CCOCC2)CC[C@@H]1O 1857697410 UMZDKRTZBVLPGH-MJGOQNOKSA-N 372.469 1.157 0 50 FDAA Cc1cccc(CN2C[C@@H]3COC[C@]3(C(=O)N(C)Cc3cc(C)on3)C2)n1 1857706401 IOMKJQQWHVGMIW-OXQOHEQNSA-N 370.453 1.793 0 50 FDAA CCCc1nnc(N2C[C@H](C(=O)N(C)Cc3nnc(C)o3)CC2=O)s1 1857709217 LKFIFWCYBQTROT-SNVBAGLBSA-N 364.431 1.194 0 50 FDAA CC(=O)N1CCC(CCC(=O)N2CCOC[C@H]2c2c(C)n[nH]c2C)CC1 328969650 OGSHFVWTGLGUBD-KRWDZBQOSA-N 362.474 1.965 0 50 FDAA CCOC(=O)N1CCN([C@@H]2CC(=O)N(c3ccccc3Cl)C2=O)CC1 19881543 IJWAFJHIBSQSOL-CQSZACIVSA-N 365.817 1.746 0 50 FDAA CCC[C@]1(CO)CCN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 808794696 CTTZNOWVGRLPLN-IBGZPJMESA-N 363.458 1.049 0 50 FDAA CC1(C)CN(C(=O)C(=O)N[C@@H](Cc2ccccn2)c2ccccc2)C[C@@H]1N 911231773 ZPODUDZGSZXNLZ-ROUUACIJSA-N 366.465 1.677 0 50 FDAA O=C1NC[C@@H](C(=O)N2Cc3cccnc3N3CCC[C@H]3C2)c2ccccc21 829035645 YLUWWMIAOTVNOI-MAUKXSAKSA-N 362.433 1.920 0 50 FDAA COCc1ccccc1CNC(=O)c1nn(C)cc1CN1CC[C@@H](N)C1 952888337 HGNOYBZEAYFTTE-QGZVFWFLSA-N 357.458 1.030 0 50 FDAA N[C@@H]1CN(C(=O)CCc2ccc(Cl)cc2Cl)C[C@@H]1n1ccnn1 952853031 WROSGEKXDOEJIX-KGLIPLIRSA-N 354.241 1.928 0 50 FDAA Cc1nc2ccccc2c(N2CCN([C@@]3(C(N)=O)CCOC3)CC2)c1C 952824888 YWIALWVQQKCZLP-FQEVSTJZSA-N 354.454 1.618 0 50 FDAA Cc1noc(C)c1CN(C)C(=O)NCCn1cnc2sccc2c1=O 1875295609 KZTMNRVFOHDGNA-UHFFFAOYSA-N 361.427 1.904 0 50 FDAA Cn1cc(N2CC[C@H](NC(=O)C[C@H](Cc3ccccc3)C(=O)O)C2)cn1 1875290773 CIUFMJPQPSDNCH-HOTGVXAUSA-N 356.426 1.449 0 50 FDAA O=C(CN1Cc2ccccc2C1=O)N1CCCN(c2ncccn2)CC1 1875257883 SHALJXZQQPMBKZ-UHFFFAOYSA-N 351.410 1.171 0 50 FDAA C=CC(=O)N1CCN(C(=O)c2n[nH]c3ccc(C(=O)OC)cc23)[C@@H](C)C1 1875380969 GABSYJADWCGZFY-NSHDSACASA-N 356.382 1.208 0 50 FDAA COCCn1nc(C(=O)NCCC2(O)CCCC2)c2c1[C@H](C)O[C@H](C)C2 1875300208 RAVIWKGMMPHUKX-KGLIPLIRSA-N 365.474 1.977 0 50 FDAA C[C@H]1CN(S(C)(=O)=O)[C@@H](C)CN1Cc1ccc(-c2ccccn2)nc1 886093919 KJVMJXWITHTRSZ-GJZGRUSLSA-N 360.483 1.998 0 50 FDAA CO[C@H]1CCN(C(=O)c2nn(C)c3c2CN(C(=O)OC(C)(C)C)CC3)C1 2325782287 KZMYXPUOKVQZJI-LBPRGKRZSA-N 364.446 1.574 0 50 FDAA O=C(Cc1cn2ccccc2n1)N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O 2325785909 UABYUVQZHUOMIB-APHBMKBZSA-N 373.844 1.683 0 50 FDAA O=C(c1cnc(Nc2ccc3c(c2)CNCC3)nc1)N1CCCNCC1 2325798741 VHXXVEZQYCGJQL-UHFFFAOYSA-N 352.442 1.301 0 50 FDAA Cn1ccnc1C[C@@H](N)C(=O)Nc1ccc2nc(C(F)(F)F)cn2c1 2325809106 GNHNSCABOKCUIQ-SNVBAGLBSA-N 352.320 1.595 0 50 FDAA COc1cccc(Cl)c1[C@H](O)CNC(=O)c1nn[nH]c1C(F)(F)F 2325878591 VJXGPZIQCDLLKE-SSDOTTSWSA-N 364.711 1.949 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)C1 2325888462 VCBXHERWIRSVDP-SFHVURJKSA-N 369.465 1.325 0 50 FDAA C=CC(=O)N1CCC[C@@H](C(=O)N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)C1 2325888750 WNPBPADGEQTKFM-HIFRSBDPSA-N 374.437 1.504 0 50 FDAA NC(=O)C1CCN(C(=O)c2cc3c(s2)CCOC32CCNCC2)CC1 2356144147 KUIYFYYRFYNGRV-UHFFFAOYSA-N 363.483 1.237 0 50 FDAA O=C(c1ccc2ncnn2c1)N1CCc2nc(-c3ccccc3)nn2CC1 2356168306 XZIJDTWLRSPPAF-UHFFFAOYSA-N 359.393 1.686 0 50 FDAA CCOc1ccccc1N1CCN(S(=O)(=O)c2cnn(CC)c2)CC1 6715116 JFAFPEPZYYPPFJ-UHFFFAOYSA-N 364.471 1.813 0 50 FDAA CCn1ncnc1CN1CCC[C@H](c2n[nH]c(=O)n2-c2ccccc2)C1 67820036 KNBCNHWSCTVLKX-AWEZNQCLSA-N 353.430 1.552 0 50 FDAA Cc1ccc(NC(=O)CC(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)cc1 65394088 YXXOJDOOSWDCOK-QGZVFWFLSA-N 351.406 1.762 0 50 FDAA COc1ccc(OCc2cc(C(=O)NCCNC(C)=O)n[nH]2)c(Cl)c1 67817793 PAGFMWMSRBRJPS-UHFFFAOYSA-N 366.805 1.517 0 50 FDAA CN1CC[C@@H](C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1=O 428444929 FHUSARCZFVNBGU-LLVKDONJSA-N 358.847 1.228 0 50 FDAA CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@](C)(C(=O)OC)C2)c1 328589452 DAWRVYFMFGURFC-MRXNPFEDSA-N 357.403 1.645 0 50 FDAA Cc1conc1NC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C 328656360 ZGIXZIMHOUPYRA-JSGCOSHPSA-N 350.398 1.793 0 50 FDAA O=C(CCN1CCCO1)N1CCc2ncnc(NC3CC=CC3)c2CC1 72419254 UYLRNQRNOBTTAS-UHFFFAOYSA-N 357.458 1.562 0 50 FDAA Cc1nc([C@H](C)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)no1 253431559 WHFBVZWUMVNZBQ-ZDUSSCGKSA-N 350.444 1.587 0 50 FDAA O=C(CCc1cc2n(n1)CCNC2)N[C@H](Cn1cccn1)c1ccccc1 72453473 LRMCJAQEKDLVFX-LJQANCHMSA-N 364.453 1.673 0 50 FDAA Cc1oc(C(=O)NCC[C@H]2CCCNC2)cc1S(=O)(=O)N1CCCC1 152645360 DJBVYXGUECZVPL-CQSZACIVSA-N 369.487 1.492 0 50 FDAA COC(=O)c1cc(C)nc2c1c(=O)n(Cc1ccccc1F)c(=O)n2C 12445611 YFAIAGFQZZCBFX-UHFFFAOYSA-N 357.341 1.378 0 50 FDAA Cc1cccnc1CN1CCN(C(=O)C2CCN(C(=O)N(C)C)CC2)CC1 72418025 XCWMIULPTMOEOJ-UHFFFAOYSA-N 373.501 1.428 0 50 FDAA CN1C(=O)N(CC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C(=O)C12CCCCC2 363309264 QPCCCLYDZHKKDR-DOTOQJQBSA-N 371.437 1.358 0 50 FDAA CCCN1CC2(CCN(C)CC2)C[C@H]1C(=O)NCCNc1cccnc1 72411422 BZZBTTIRMMABQU-SFHVURJKSA-N 359.518 1.806 0 50 FDAA CN1CCN(S(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)CC1 35358141 RXVVDIGTTKPITC-UHFFFAOYSA-N 352.460 1.250 0 50 FDAA O=C(CCn1cnnn1)N1CCC[C@H](c2[nH]ncc2Cc2ccccc2)C1 77535356 FXZKMVHKIVFGHK-INIZCTEOSA-N 365.441 1.783 0 50 FDAA C[C@H]1CCc2ccccc2N1CCC(=O)N1CCn2c(nn(C)c2=O)C1 132479592 OAPPQEIFRIYNAX-AWEZNQCLSA-N 355.442 1.155 0 50 FDAA CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccccc3OC)C2=O)C1 33350035 DQEREDCVWILDNK-DZGCQCFKSA-N 360.410 1.602 0 50 FDAA CCc1cc(N2CCC[C@@H](N3CCOCC3)C2)nc(N2CCOCC2)n1 72164348 FDHFYYHPHGBSAN-QGZVFWFLSA-N 361.490 1.177 0 50 FDAA CC(C)CCN1C[C@@]2(CCCN(Cc3nc(C(N)=O)no3)C2)CCC1=O 77440540 JZFHYOBKXPTIMO-SFHVURJKSA-N 363.462 1.419 0 50 FDAA Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCC[C@@H]1C(=O)O 262134064 OLPOSFKOANOOGH-CQSZACIVSA-N 352.412 1.125 0 50 FDAA O=C(O)[C@@H]1c2[nH]cnc2CCN1C(=O)c1csc(N2CCCCC2)n1 72435991 OELPIUTXUYBETO-ZDUSSCGKSA-N 361.427 1.681 0 50 FDAA CN1CCN(C(=O)Cc2cccc(NC(=O)c3cc(C4CC4)[nH]n3)c2)CC1 174679108 NUTZUNBKQQVLBS-UHFFFAOYSA-N 367.453 1.856 0 50 FDAA CCc1c(C)cc(C(=O)N2CCN(c3ccccc3)C(=O)C2)c(=O)n1C 82097337 BHHAVOJKTAHPPK-UHFFFAOYSA-N 353.422 1.745 0 50 FDAA COc1cc(C(=O)O)ccc1CCNC(=O)[C@@H]1COc2ccccc2O1 263369798 XNNBNVPRYHTPEF-KRWDZBQOSA-N 357.362 1.892 0 50 FDAA CN(C)C(=O)C[C@@H](O)c1cc2n(n1)CCN(Cc1cc(F)cc(F)c1)C2 221349366 YTLZGUAYUIKSCA-QGZVFWFLSA-N 364.396 1.689 0 50 FDAA COc1ccc(CN2CCN(C(=O)[C@H]3CC[C@@H](C(=O)O)C3)CC2=O)cc1 426395966 OXPRUSMDZYRXEN-LSDHHAIUSA-N 360.410 1.367 0 50 FDAA CCCN(C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)[C@H]1CCNC1 178911507 XRUCNORMBKFOOH-HNNXBMFYSA-N 351.472 1.341 0 50 FDAA CCOC(C)(C)C(=O)N1CCCn2nc([C@@H](O)c3ccnn3C)cc2C1 220610473 CPQSAOQNSDFXJP-MRXNPFEDSA-N 361.446 1.246 0 50 FDAA Cc1nc(CC(=O)N2CCC(C(=O)N3CCOCC3)CC2)c(C)s1 178215952 YYJRPLYFSPTZQT-UHFFFAOYSA-N 351.472 1.400 0 50 FDAA O=C(NCCn1c(=O)[nH]c2ccccc21)N1CC[C@H](n2cc(Cl)cn2)C1 291000485 LFOZRGOFEWLGPS-ZDUSSCGKSA-N 374.832 1.836 0 50 FDAA CCCc1nc(C)cc(N2CCn3nc([C@@H](O)c4ccnn4C)cc3C2)n1 222293689 WAPVXZPJRYKEHF-LJQANCHMSA-N 367.457 1.769 0 50 FDAA Cc1cnc(C)c(N2CCN(C(=O)NC[C@@H]3CCN(CC(C)C)C3)CC2)n1 426490619 SHPNEQVGQXCMHN-SFHVURJKSA-N 374.533 1.903 0 50 FDAA C[C@@H](O)c1cc2n(n1)CCN(Cc1ccc(OCC(N)=O)c(Cl)c1)C2 221360005 BNVYCMSOYQJYCD-LLVKDONJSA-N 364.833 1.470 0 50 FDAA NC(=O)NCc1cn(C2CCN(C(=O)CC3CCCCCC3)CC2)nn1 48087888 JPOYCPPPFTZFSO-UHFFFAOYSA-N 362.478 1.970 0 50 FDAA COC[C@@H](NC(=O)c1ccc(N2CCN(C)CC2)cc1)c1ccnn1C 220666921 VIDKYKUFNHDLSB-QGZVFWFLSA-N 357.458 1.289 0 50 FDAA O=C(NCC[C@@H]1CCN(Cc2ccccc2)C1)N1CCS(=O)(=O)CC1 426388198 SVLLYHMMLQPVFN-QGZVFWFLSA-N 365.499 1.339 0 50 FDAA O=C(O)Cn1ccc([C@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)n1 426381806 UVNSLAYQJAOMRB-ZDUSSCGKSA-N 357.366 1.716 0 50 FDAA O=C(CCc1nc2ccccc2s1)NCCS(=O)(=O)N1CCCC1 96141229 HZUZFFVBQSKIQS-UHFFFAOYSA-N 367.496 1.771 0 50 FDAA CC(C)Cc1cc(CNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCCC3)C2)no1 91587374 ZBIQFGOUJYEFDJ-CABCVRRESA-N 362.474 1.337 0 50 FDAA CCC[C@H]1CN(Cc2cccnc2N)C[C@@H]1NC(=O)CN1CCCC1=O 91474308 ZUCGTCZOCYTCKP-HOCLYGCPSA-N 359.474 1.003 0 50 FDAA COc1ccccc1-c1noc(CCCC(=O)N[C@@H](C)c2nc(N)n[nH]2)n1 426690580 MMHILQZQIAGSIM-JTQLQIEISA-N 371.401 1.646 0 50 FDAA Cc1ccn2c(F)c(C(=O)N[C@H]3CCCN(c4cnccn4)C3)nc2c1 426487729 YLCUPEMIDKBTIS-ZDUSSCGKSA-N 354.389 1.971 0 50 FDAA CCCOc1ccccc1CCCNC(=O)c1cc(=O)n(C)c(=O)n1C 97776094 ITQBDKCQVCMZHM-UHFFFAOYSA-N 359.426 1.235 0 50 FDAA CC(C)NC(=O)CCc1cc2n(n1)CCN(C(=O)[C@H]1CCCN(C)C1)C2 91494193 WACITBWOEPRGNV-HNNXBMFYSA-N 361.490 1.024 0 50 FDAA COc1cc(-n2cnnn2)ccc1NC(=O)NCc1n[nH]c2c1CCC2 96149954 RCSUNPZPTAQADL-UHFFFAOYSA-N 354.374 1.204 0 50 FDAA Cc1ccc(C)c2c(C)c(C(=O)N[C@H]3COC[C@@H]3N3CCN(C)CC3)[nH]c12 91908370 RBDGIFUIXPTKSG-IRXDYDNUSA-N 370.497 1.838 0 50 FDAA CC(=O)c1cc(CN2C[C@@H](NS(=O)(=O)N(C)C)[C@H](C(C)C)C2)cs1 95503455 RARKHEUUMJTHEG-LSDHHAIUSA-N 373.544 1.803 0 50 FDAA O=C1C[C@H](c2ncnn2-c2ccc3c(c2)OCO3)CN1Cc1cccnc1 91907362 PNACFNATGXKBKO-AWEZNQCLSA-N 363.377 1.907 0 50 FDAA Cc1cc(C)c2c(N3CCC(C(=O)N4CCOCC4)CC3)ncnc2n1 95352677 CDDRXWBZDAYUFN-UHFFFAOYSA-N 355.442 1.717 0 50 FDAA Cc1c(Cl)cc(C(=O)N2CCN3C(=O)CNC(=O)[C@@H]3C2)cc1Cl 95361026 YEWSQLFKRCGNMB-LBPRGKRZSA-N 356.209 1.085 0 50 FDAA COc1ccc(OCCN2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)cc1 95364495 WUKHANWSBVMNSC-INIZCTEOSA-N 362.426 1.472 0 50 FDAA Cc1cc(N2CCC(NCCCn3ccnn3)CC2)nc(N2CCCC2)n1 95529472 WRUIQHDXRQEFCU-UHFFFAOYSA-N 370.505 1.625 0 50 FDAA CCn1cc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3cccc(OC)c3OC)C2)cn1 91768854 DZTDPNLBENJYLJ-LSDHHAIUSA-N 373.409 1.861 0 50 FDAA CCn1nc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(C)=O)cc1C 91713539 LZOJXPMNBOIIFJ-UHFFFAOYSA-N 370.457 1.471 0 50 FDAA O=C(COc1ccccc1)N1CCN(Cc2noc([C@H]3CCCO3)n2)CC1 244673837 HWMNYDNVKBSTDT-MRXNPFEDSA-N 372.425 1.644 0 50 FDAA O=C(c1ccc(N2CCOCC2)cc1)N1C[C@H](O)[C@@H](N2CCCCC2)C1 244811371 SBPFBGWSVSLSBP-OALUTQOASA-N 359.470 1.194 0 50 FDAA O=C(CCNC(=O)c1ccccc1F)N[C@H]1CCCN(c2ncccn2)C1 244626672 FQIRWQFQUAXHEZ-AWEZNQCLSA-N 371.416 1.521 0 50 FDAA Cc1csc(NC(=O)[C@@H](C)N2CCC3(CC2)C(=O)NCCCN3C)n1 244673942 HYNBBWFGWHFAHQ-CYBMUJFWSA-N 365.503 1.065 0 50 FDAA CN(C(=O)CCn1c(=O)oc2cc(Cl)ccc21)C1(C(N)=O)CCCC1 182398727 HIMVMJWGQZEUEY-UHFFFAOYSA-N 365.817 1.895 0 50 FDAA N[C@H]1C[C@@H](c2cc(N3CCN(Cc4ccc(F)cc4)C(=O)C3)ncn2)C1 244899385 ZIUMXTSLULCOQK-FZNQNYSPSA-N 355.417 1.669 0 50 FDAA COC(=O)[C@H](CC(C)C)NC(=O)CCc1nc2ccccc2n(C)c1=O 253411313 OLRXPBJRTQFDSH-HNNXBMFYSA-N 359.426 1.570 0 50 FDAA biogenic O=C1CCc2c1cccc2C(=O)N[C@@H]1C[C@@H](C(=O)NC2CC2)CC[C@H]1O 1940193584 GBLDWXRFCISHRO-LIXBPZJASA-N 356.422 1.354 0 50 FDAA CN(C)C1=NC2(CCN(C(=O)c3ccc4ncsc4c3)CC2)C(=O)N1 299758931 FOTAMKLJEIKENE-UHFFFAOYSA-N 357.439 1.319 0 50 FDAA COc1cccc(-c2n[nH]cc2C(=O)N[C@H]2COC[C@@H]2N2CCCC2)c1 299772454 YEQPCDGKPIUAFV-IRXDYDNUSA-N 356.426 1.678 0 50 FDAA COc1ccccc1CNC(=O)CCN1CC[C@@H]2OCc3cnnn3[C@H]2C1 299800710 IJSQVUFUVWQAMS-WMZOPIPTSA-N 371.441 1.139 0 50 FDAA COc1ccc(CNC(=O)CCN2CC[C@H]3[C@H](C2)OCc2cnnn23)cc1 299770685 VDXNDZVHZRYEPE-ROUUACIJSA-N 371.441 1.139 0 50 FDAA Cc1ncccc1C(=O)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 299795506 KRPDHYWFXLEZMQ-UHFFFAOYSA-N 366.487 1.269 0 50 FDAA Cn1cccc1C(=O)N1CCOC2(CCN(C(=O)c3ccco3)CC2)C1 828189081 ZTKWJLLIWOPYDV-UHFFFAOYSA-N 357.410 1.766 0 50 FDAA NC(=O)COc1cccc(C(=O)N[C@@H]2CCCN(C(=O)c3ccco3)C2)c1 826838150 DGKKDQMBPMPQCW-CQSZACIVSA-N 371.393 1.178 0 50 FDAA O=C(NCC1CCN(CCN2CCOCC2)CC1)c1ccc2c(c1)CCC2 828166637 NSRZNJKXQXTLSL-UHFFFAOYSA-N 371.525 1.949 0 50 FDAA Cc1noc([C@@H](C)NC(=O)N2CCN(CCc3ccccc3)C(=O)C2)n1 584886731 NLTDVHHUYJBOIU-CYBMUJFWSA-N 357.414 1.536 0 50 FDAA O=C(N[C@H]1CCN(Cc2ccccn2)C[C@@H]1O)c1ccc2nccnc2c1 1565526785 SVSGYVCYOPCYBX-HKUYNNGSSA-N 363.421 1.390 0 50 FDAA Cc1nccn1CC(=O)NCC1CCN(C(=O)CCn2nccc2C)CC1 952970904 CJRPILKFQMHMCA-UHFFFAOYSA-N 372.473 1.142 0 50 FDAA O=C([C@@H]1OCCc2ccccc21)N1CCN(c2cncc3ncnn23)CC1 275867345 ZQQSTHXUMKZLRO-GOSISDBHSA-N 364.409 1.087 0 50 FDAA C[C@H](NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1cccc(-n2cncn2)c1 170014345 OFYZIUWDRAXMBV-LLLJDESDSA-N 352.394 1.967 0 50 FDAA CCc1ccc(S(=O)(=O)NCc2ccc(OC)cn2)cc1C(=O)O 278211175 IINNHOFEMDTEIL-UHFFFAOYSA-N 350.396 1.829 0 50 FDAA COc1ccc(CCNC(=O)N2CCN(CC(C)(C)O)C[C@H]2C)cc1F 188502247 ZJBKWNZIRKRLFS-CQSZACIVSA-N 367.465 1.863 0 50 FDAA CN1CCC[C@@H]1C(=O)N1CCN(Cc2ccc3c(c2)sc(=O)n3C)CC1 195039843 UDFVPCZFTIOKGI-MRXNPFEDSA-N 374.510 1.338 0 50 FDAA COc1ccc(CNC(=O)C2CCN(Cc3cc(O)nc(O)n3)CC2)cc1 1529168415 CBJIFJDGTZEINB-UHFFFAOYSA-N 372.425 1.425 0 50 FDAA Cc1cc(=O)n(CCN2CCC[C@@H](c3nc(CC(C)C)no3)C2)c(O)n1 1529120562 BTENSTHWPQWTBX-CQSZACIVSA-N 361.446 1.718 0 50 FDAA Cn1c(N2CCN(CC(=O)NC(C)(C)C)CC2)nc2cc(C(=O)O)ccc21 1529189106 GLYVNVSRAPWNGR-UHFFFAOYSA-N 373.457 1.308 0 50 FDAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(Cc1ccc(F)cc1Cl)C2 216255202 RAZNRUYPSIFXEM-HIFRSBDPSA-N 367.852 1.990 0 50 FDAA CN(CC(=O)NCCc1ccc(Cl)cc1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704316155 XZSSWZBMYPFMEU-HLLBOEOZSA-N 363.889 1.845 0 50 FDAA Cc1ncc(CN(CCO)Cc2ccc(OCC(N)=O)c(Cl)c2)[nH]1 1772704582 JNWKZIVASWYFDN-UHFFFAOYSA-N 352.822 1.230 0 50 FDAA Nc1n[nH]c(CCNC(=O)[C@H](Cc2ccc(O)cc2)c2ccccc2)n1 1772703566 YCUIGEHQECGJSB-MRXNPFEDSA-N 351.410 1.778 0 50 FDAA Cc1cccnc1CN(C)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1O 12319052 UOZIIQQFCOWVNE-ROUUACIJSA-N 361.467 1.256 0 50 FDAA COC(=O)CNC(=O)[C@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1 12574397 IKAPKOISMABMMT-SFHVURJKSA-N 373.497 1.652 0 50 FDAA COCCN1C(=O)N(C)C(=O)C12CCN([C@H]1CCc3ccccc3C1)CC2 14533068 AXIVSKWUBXXTOL-SFHVURJKSA-N 371.481 1.919 0 50 FDAA Cc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)Cn2cnnn2)cc1C 15062323 PRQXHKWDLHSSBO-MRXNPFEDSA-N 351.414 1.669 0 50 FDAA Cc1ncnc(Nc2cnn(CCN3CCOCC3)c2)c1Br 1857530379 DVPQQAPHTNDRMN-UHFFFAOYSA-N 367.251 1.820 0 50 FDAA Cc1cc(=O)c(O)c(C(C)(C)CC(=O)NC[C@H](O)c2ccc(O)cc2)o1 1857526387 DLCROGLKEGNDFQ-HNNXBMFYSA-N 361.394 1.877 0 50 FDAA O=C(N[C@H]1C[C@@H](Cn2ccnc2)C[C@@H]1O)c1ccc(-n2cccn2)cc1 1857527065 RWVFWLCPACIOHP-JLSDUUJJSA-N 351.410 1.638 0 50 FDAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)c4nn(C)cc4Cl)[C@@H]2CC(=O)N13 1857728147 PGMMWFJEEVQSHY-OZVIIMIRSA-N 352.822 1.271 0 50 FDAA Cc1cc(C(=O)N2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)on1 1857728611 JAMHFDMWHLNKEC-GMBSWORKSA-N 353.378 1.898 0 50 FDAA CC(=O)N1C[C@@H]2[C@H](CNC(=O)c3ccc(F)cc3F)[C@H]3CC[C@]2(C1)O3 1857738813 ZKAMBBILQFJUAG-GARXJVFOSA-N 350.365 1.721 0 50 FDAA O=C1CC[C@@H](C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)n2cccc21 329905389 RNHSHIUVBRPRRI-HIFRSBDPSA-N 365.455 1.032 0 50 FDAA CNC(=O)[C@H]1CCN(C(=O)[C@@H]2COc3ccc(Br)cc32)C1 331662148 XJALCDIJGPPIMZ-JOYOIKCWSA-N 353.216 1.520 0 50 FDAA Cc1ccc(CN2C[C@@H](C(=O)NCc3ccc(C(=O)O)o3)CC2=O)cc1 237726855 YZUABRQYTDJWDS-AWEZNQCLSA-N 356.378 1.951 0 50 FDAA N[C@@H]1CCC[C@@H]1C(=O)NC[C@@H](O)COc1ccccc1Br 237921055 HJTAUCNWXNPJNN-NTZNESFSSA-N 357.248 1.432 0 50 FDAA O=C(NCCO)c1cn([C@H]2CCCN(Cc3cc4ccccc4[nH]3)C2)nn1 12127778 VKMUGTOTMCURQP-INIZCTEOSA-N 368.441 1.319 0 50 FDAA COc1ccc(Br)cc1CC(=O)N1CCO[C@H](C(=O)O)C1 263023413 SYVXKXHCLQBCIF-LBPRGKRZSA-N 358.188 1.312 0 50 FDAA COc1cc(C)ccc1OCCN1CCC2(CC1)OCC[C@@](C)(O)[C@@H]2O 1704302576 PVTUBLZQNIVZPG-RBUKOAKNSA-N 365.470 1.749 0 50 FDAA Cc1nc(C)c(CN2CC(N3C[C@@H](c4nc(C5CC5)no4)CC3=O)C2)o1 864312422 KSHUIURAQBYBRZ-ZDUSSCGKSA-N 357.414 1.752 0 50 FDAA Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)c2coc3ccc(F)cc23)C1 952848507 HRSIZKZJOPDSML-FIXISWKDSA-N 358.373 1.985 0 50 FDAA O=S(=O)(c1cccnc1)N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952851098 UIVITYWLYOBPLB-CABCVRRESA-N 359.455 1.891 0 50 FDAA O=C(NC[C@H]1CCCCN1)N[C@H]1CCc2nnc(-c3ccccc3)n2C1 1875266152 KWCZPYJWGOMOEY-CVEARBPZSA-N 354.458 1.701 0 50 FDAA O=C(c1cc(O)nc(C2CC2)n1)N1CCC2(CC1)C[C@H]2C(=O)N1CCCC1 1875266936 ZNILFRISFGPSBZ-AWEZNQCLSA-N 370.453 1.924 0 50 FDAA C[C@H](Oc1ccccc1)C(=O)N1CC[C@H](C)[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 1875343973 ALKMFJBNBLRBRZ-NXNVCVFFSA-N 373.453 1.086 0 50 FDAA C[C@H](NC(=O)N=c1cco[nH]1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1875340250 SBNXVCFPVMEOKU-NSHDSACASA-N 354.407 1.369 0 50 FDAA O=C(N[C@@H]1CCCC12CN(C(=O)CC1OCCO1)C2)[C@H]1CCCS1 1875345518 AIMYWMSGOHRIFT-CHWSQXEVSA-N 354.472 1.142 0 50 FDAA COc1ccc(CCCN2C(=O)N[C@H](Cc3cn(C(C)C)nn3)C2=O)cc1 1875361223 UICZMTXIGJATNU-QGZVFWFLSA-N 371.441 1.963 0 50 FDAA Cc1cccc([C@H](CNC(=O)[C@H]2CNCC23CCC3)N2CCOCC2)c1 1875335798 HTERALRBCZBXNR-MOPGFXCFSA-N 357.498 1.874 0 50 FDAA O=C(NC[C@H]1CN(c2ncccn2)CC2(CCC2)O1)[C@@]12CC[C@@H](C1)OC2 1875408016 MOEXRWGBYYGFLM-MPGHIAIKSA-N 358.442 1.290 0 50 FDAA CO[C@H]1CCCCN(CC(=O)NCCOc2ncccc2Cl)C1=O 886074692 OKZOIOJWYAODKM-ZDUSSCGKSA-N 355.822 1.258 0 50 FDAA CCOc1cc(N2CC[C@@H](Oc3ccnc(CNC(C)=O)c3)C2)ncn1 886041103 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NC(=O)c1cnc(C(=O)N2CC[C@@](CO)(c3ccccc3)C2)c(Cl)c1 1324036479 QAOMEMGCLQIRNK-GOSISDBHSA-N 359.813 1.610 0 50 FDAA CNC[C@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1OC 156622293 YNORQFJEQLPCSS-LLVKDONJSA-N 363.277 1.830 0 50 FDAA COc1ccc(CN2CCO[C@@H](c3nnn(C)n3)C2)cc1Cn1cccn1 2100539793 YUFIUYRBMFZIGY-QGZVFWFLSA-N 369.429 1.037 0 50 FDAA c1ccc(OC[C@@H]2CCCN2c2ncnc(=N[C@H]3CCCNC3)[nH]2)cc1 2325796204 ANKXETRZWDYAHI-HOTGVXAUSA-N 354.458 1.505 0 50 FDAA O=C(NCc1ccncc1O[C@H]1CCNC1)c1ccc(F)c2c1OCC2 2325808678 VARYRIYJBRKLRV-ZDUSSCGKSA-N 357.385 1.826 0 50 FDAA CC[C@@H]1CCO[C@@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cn(C3CC3)nn2)C1 2325839152 KJUKTUYEOUEHIV-XPKDYRNWSA-N 361.446 1.101 0 50 FDAA COc1ccc2cc(C(=O)N[C@]3(C(=O)O)C[C@H](O)C3(C)C)c(C)nc2c1 2325848891 VHXQVLKCRQKYIG-KXBFYZLASA-N 358.394 1.896 0 50 FDAA CS(=O)(=O)N(CC(=O)N1CCOCC1)c1cc(Cl)ccc1Cl 793319 GSWGNTDEJKAFQT-UHFFFAOYSA-N 367.254 1.618 0 50 FDAA COCCN1CCC[C@]2(CCCN2C(=O)c2cnc(O)c(Cl)c2)C1=O 2356139300 VWOICGPSFACMFW-KRWDZBQOSA-N 367.833 1.684 0 50 FDAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(Cc2cccc(OCC(N)=O)c2)C1 2356147871 UYHYWTJPRPQRHP-HXUWFJFHSA-N 367.453 1.233 0 50 FDAA Nc1ccc(CCc2ccc(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1 3137668 CAPKHWMXDRXDIC-UHFFFAOYSA-N 372.424 1.130 0 50 FDAA in-vitro O=C1OCCN1CC(=O)N1CC[C@H]2[C@@H]1CCN2Cc1cccc(F)c1F 2356163616 KVPTYRDHKKJFHC-GJZGRUSLSA-N 365.380 1.592 0 50 FDAA CCN1CC2(CCC1=O)CCN(Cc1cc(=O)n3nc(C)cc3[nH]1)CC2 102703295 RFMSBEWNVREQIB-UHFFFAOYSA-N 357.458 1.556 0 50 FDAA NC(=O)c1csc(N2CCN(Cc3ccccc3F)[C@H](CCO)C2)n1 107006100 KTEBNBXWUFDWDO-CYBMUJFWSA-N 364.446 1.454 0 50 FDAA CCS(=O)(=O)N1CCC(n2cc(CN3CCCCCC3)nn2)CC1 23129105 NSUBHCNGIUWHMV-UHFFFAOYSA-N 355.508 1.641 0 50 FDAA NC(=O)COc1ccccc1CN1CCN(c2ccc(Cl)nn2)CC1 65406168 RTVSPHDDGIFMHG-UHFFFAOYSA-N 361.833 1.316 0 50 FDAA O=C(CC[C@H]1CCCN(CCO)C1)N1CCN(Cc2ccccc2)CC1 20204692 HIPKRPIFRBKRRA-HXUWFJFHSA-N 359.514 1.815 0 50 FDAA COc1ccccc1Oc1ncccc1CNC(=O)c1cc(=O)[nH]c(=O)[nH]1 67643434 FYKLBBVWBKPQDU-UHFFFAOYSA-N 368.349 1.189 0 50 FDAA COc1cc2c(cc1CNC(=O)c1cn(C[C@H]3CCCNC3)nn1)CCC2 67878078 JLJMHXDXGJTHOV-AWEZNQCLSA-N 369.469 1.705 0 50 FDAA CC[C@@H](NC(=O)c1coc(COc2cccc(F)c2F)n1)C(=O)NC 67982832 JMRZGGDDDMLZSX-SNVBAGLBSA-N 353.325 1.786 0 50 FDAA COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)[C@H](O)/C=C\C[C@H](C)OC2=O 14852073 BPOLRDGTYHVUAY-NPVKFQDVSA-N 364.394 1.392 0 50 FDAA in-vitro COC(=O)C1CCN(C[C@]2(O)CCCN(Cc3cccc(C)c3)C2=O)CC1 12049198 QQIXSZBYPZNDPM-OAQYLSRUSA-N 374.481 1.734 0 50 FDAA CCc1cc(C(=O)N2CCC[C@H](N(C3CCC3)S(C)(=O)=O)CC2)n[nH]1 328624569 CNNHZWIZEZNUOE-HNNXBMFYSA-N 368.503 1.781 0 50 FDAA CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)CCc2cccc3c2OCO3)C1 329063730 ZZEMXWUIGHPATG-KGLIPLIRSA-N 358.398 1.763 0 50 FDAA COc1ccccc1N1C[C@H](C(=O)NCc2n[nH]c3c2CCC3)CC1=O 219664243 RLXBSMBPJPYDNB-GFCCVEGCSA-N 354.410 1.576 0 50 FDAA CCn1c(N)nc2cc(C(=O)NCC3(N4CCOCC4)CCCC3)cnc21 77540340 OHZHXPYIASTPMK-UHFFFAOYSA-N 372.473 1.408 0 50 FDAA COCc1cc(N2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)ncn1 71757022 ATOZTQMMCNSSCP-HNNXBMFYSA-N 373.501 1.582 0 50 FDAA Nc1nc2c(c(NCCOc3cccc4cccnc34)n1)CCNCC2 72475627 CNYMJCWRMHFDCA-UHFFFAOYSA-N 350.426 1.786 0 50 FDAA Cc1cc(C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)c(C)n1Cc1ccccn1 366856576 YZPLLCLBJLFOTG-SJLPKXTDSA-N 352.438 1.899 0 50 FDAA CCCOC(=O)N1CCc2cccc(S(=O)(=O)N3CCOCC3)c2C1 77318961 WIKHHLZCKNHMND-UHFFFAOYSA-N 368.455 1.612 0 50 FDAA CC(C)OCCS(=O)(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C 488983078 ZOHNGEFXNBHIPX-GOEBONIOSA-N 358.508 1.147 0 50 FDAA Cc1nc(C2CCN(Cc3cnc(NC[C@H]4CCCO4)nc3)CC2)n[nH]1 216414312 NTRACZPOKHBQAI-MRXNPFEDSA-N 357.462 1.874 0 50 FDAA Cc1nc(=O)[nH]c(C)c1CCC(=O)N[C@H](c1ccccc1)c1nccn1C 215888974 VXGSESWKPRTIGV-GOSISDBHSA-N 365.437 1.959 0 50 FDAA COc1cc(Cl)c(S(=O)(=O)N2CCC3(CCN3)CC2)cc1OC 333239380 DOOBEOAGTJQGOB-UHFFFAOYSA-N 360.863 1.874 0 50 FDAA CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CN)cc1 237081037 VACXKEHQXJZRJJ-WFASDCNBSA-N 360.501 1.228 0 50 FDAA Cn1cc([C@H]2CNC[C@@H]2C(=O)N2CCN(c3ccccc3F)CC2)cn1 261919643 KDTTXABPSHUVNC-CVEARBPZSA-N 357.433 1.211 0 50 FDAA O=C1CC[C@]2(CCCN(S(=O)(=O)C3CC3)C2)CN1Cc1cccnc1 77504070 JSAOHKBUWYMHFS-GOSISDBHSA-N 363.483 1.778 0 50 FDAA CN(C)C(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 71385519 KBBQPJQNNPOKJX-MRXNPFEDSA-N 373.501 1.556 0 50 FDAA COc1ccc(C2(CNC(=O)CNC(=O)CN)CCCCC2)cc1OC 262360887 GTYPREXXCHOLCC-UHFFFAOYSA-N 363.458 1.097 0 50 FDAA CCOc1cc2c(cc1CNC(=O)c1cnc(C(=O)O)cn1)O[C@H](C)C2 263279862 OCOGIGFHGYSWIB-SNVBAGLBSA-N 357.366 1.827 0 50 FDAA CN(C)C1CCN(CCNC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)CC1 175685825 PXPUSJKVYNYCGT-INIZCTEOSA-N 373.501 1.117 0 50 FDAA O=C(O)[C@@H]1C[C@H]2CC[C@H]1N2S(=O)(=O)c1cnc(-c2ccccc2)nc1 263497037 RHNHLFXRHNQKBV-BPLDGKMQSA-N 359.407 1.770 0 50 FDAA O=C(NCc1cc(C2CC2)n[nH]1)N1CCCN(C(=O)[C@@H]2CCCO2)CC1 426580682 GSKVDBWLVNACAI-INIZCTEOSA-N 361.446 1.210 0 50 FDAA CCn1cnnc1CCNC(=O)N1CCN(Cc2cccc(C)c2)C(=O)C1 426669181 YHKFGFRQRXOGSD-UHFFFAOYSA-N 370.457 1.203 0 50 FDAA O=C1CC[C@]2(CCCN(C(=O)c3ncc[nH]3)C2)CN1CCc1c[nH]cn1 82092539 WWABUWQJCCBDKT-GOSISDBHSA-N 356.430 1.220 0 50 FDAA Cc1c(C(=O)N2CCCO[C@H](Cn3cccn3)C2)cnn1-c1ccccn1 426547690 VORRXWDGFYZPGB-INIZCTEOSA-N 366.425 1.704 0 50 FDAA Fc1cnc(N[C@@H]2CCOC[C@H]2OCC2CCC2)nc1N1CCOCC1 220719497 FIZHGTROAMTMSR-HZPDHXFCSA-N 366.437 1.838 0 50 FDAA COc1cccc(NC(=O)CCN2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 178142238 NVPNPCUOUOLXDA-GOSISDBHSA-N 374.485 1.262 0 50 FDAA O=C(N1C[C@H](O)[C@@H](N2CCOCC2)C1)C1(c2ccccc2)CCCCC1 223574366 VXJMYQWSHFJXPW-OALUTQOASA-N 358.482 1.792 0 50 FDAA NC(=O)C1(NC(=O)N[C@@H](CCn2cncn2)c2ccccc2)CCCC1 426423114 SZZHQHQYTZWDLK-HNNXBMFYSA-N 356.430 1.507 0 50 FDAA CCCN(C(=O)c1cc(C)c(C)c(S(=O)(=O)NC)c1)[C@@H]1CCNC1 178933477 QEPXQSZIBSWQFC-OAHLLOKOSA-N 353.488 1.426 0 50 FDAA CN(C)c1nc2c(c(N3CCC(O)CC3)n1)CN(C(=O)c1ccc[nH]1)CC2 91818380 MXTMDQCOFXJJML-UHFFFAOYSA-N 370.457 1.030 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cc(Cl)ccc2O)CN1CCOC 96132502 WSRJFGFTHYAEOE-JSGCOSHPSA-N 369.849 1.001 0 50 FDAA Cc1nc(CNC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)n[nH]1 426431943 NZMKADHXCBZXTP-CQSZACIVSA-N 363.443 1.012 0 50 FDAA CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccc(Cl)s1)C2 92066367 WXTKIFYIASRLSE-WDEREUQCSA-N 369.874 1.553 0 50 FDAA COc1cccc(-c2n[nH]cc2C(=O)NCCN2CCCC[C@H]2CO)c1 97307635 WZFNCFPFAHBDFJ-HNNXBMFYSA-N 358.442 1.662 0 50 FDAA COCCN1CC2(CCC1=O)CCN(Cc1cnc(N(C)C)nc1)CC2 91846392 OIQWTOODEFEYAX-UHFFFAOYSA-N 361.490 1.394 0 50 FDAA CC(=O)N[C@@H]1CN(C(=O)CN(C)Cc2ccncc2)C[C@H]1c1ccc(C)o1 95510504 FGHDECUMIYIDSF-QZTJIDSGSA-N 370.453 1.546 0 50 FDAA CN(C)C1=NC2(CCN(Cc3cccc(Cn4cccn4)c3)CC2)C(=O)N1 97660564 XEFLMLAQRHWHQW-UHFFFAOYSA-N 366.469 1.313 0 50 FDAA Cc1cc(C)c(C(=O)N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)c(=O)[nH]1 91411706 MRAAJDXDEJJLCM-FQEVSTJZSA-N 357.454 1.856 0 50 FDAA Nc1cc(N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)ncn1 92036913 PCQGMHZOIIIUFQ-UHFFFAOYSA-N 353.430 1.072 0 50 FDAA O=C(CN1CCN(c2ncccn2)CC1)N1CC[C@H](c2ccccc2F)C1 95365488 UADZGZIKPGKVLS-INIZCTEOSA-N 369.444 1.754 0 50 FDAA O=C(NCc1noc(-c2ccco2)n1)[C@H](c1cccnc1)N1CCOCC1 97553274 BEUMZVXOINSJES-INIZCTEOSA-N 369.381 1.414 0 50 FDAA COc1ccccc1CC(=O)N1CCC2(CCC(=O)N(CC(=O)O)C2)CC1 91665882 BYAOIAPMJOYCTB-UHFFFAOYSA-N 374.437 1.554 0 50 FDAA CCCCn1ccnc1C1CCN(C(=O)Cn2cc(C)c(=O)[nH]c2=O)CC1 95521889 ZWIVPRKXWVCGIQ-UHFFFAOYSA-N 373.457 1.248 0 50 FDAA CCN(Cc1nc(COC)no1)C(=O)c1ccc(N2CCOCC2)cc1 244724695 MYXNPTGLWTXMIQ-UHFFFAOYSA-N 360.414 1.715 0 50 FDAA CN(CC(=O)N1CCOc2ccccc21)Cc1nc(-c2ccccn2)no1 244840327 ULCJDYLANJQODU-UHFFFAOYSA-N 365.393 1.989 0 50 FDAA Cc1nc(N(C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)cc2nncn12 298848134 IWALEHROUXJGMT-KBXCAEBGSA-N 354.462 1.686 0 50 FDAA O=C(N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1)c1cnc(C2CC2)nc1O 253535202 HAZYOBRIGFSUOB-IJEWVQPXSA-N 354.410 1.567 0 50 FDAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)c1ccc(N2CCNC2=O)cc1 299750963 OWSCQMXDHIUWCX-OAHLLOKOSA-N 361.398 1.312 0 50 FDAA O=C1CCc2cc(OCCCC(=O)N3CCO[C@H](C(=O)O)C3)ccc2N1 299748198 GKTWCYMTVUETPM-HNNXBMFYSA-N 362.382 1.042 0 50 FDAA O=C(O)[C@@H]1CN(C(=O)c2ccc(-n3cnnc3)cc2)C[C@H]1C(F)(F)F 299746413 XESODLPEUGFKLC-VXGBXAGGSA-N 354.288 1.602 0 50 FDAA CS(=O)(=O)N1CCCN(c2cc([C@H]3C[C@H](N)C3)nc(C3CC3)n2)CC1 252536678 JDGSYJZNZKKBSC-HDJSIYSDSA-N 365.503 1.030 0 50 FDAA CC[C@@H](CNC(=O)N1CC(Oc2ccc(F)cc2)C1)N1CCN(C)CC1 534672470 DPOQAFOSEYRALW-INIZCTEOSA-N 364.465 1.624 0 50 FDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)N2CCSCC2)cc1 534589088 CMTHUJLZDMIROG-UHFFFAOYSA-N 357.501 1.422 0 50 FDAA COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cnc2cnn(C)c2c1 1940194787 QTUZWFOENZTWCY-AWEZNQCLSA-N 354.366 1.188 0 50 FDAA CC(C)(C)c1cc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)nc(O)n1 299768630 PMVMIVDRRNVEHT-CYBMUJFWSA-N 360.458 1.954 0 50 FDAA CS(=O)(=O)N1CCCN(C(=O)c2ccccc2C(F)(F)F)CC1 47456270 JADLFFKUYVEPNB-UHFFFAOYSA-N 350.362 1.813 0 50 FDAA CC(=O)N[C@H]1C[C@@H](c2cc(NCC3(N(C)C)CCOCC3)nc(C)n2)C1 820585015 BNLDBIHZADZDGM-IYBDPMFKSA-N 361.490 1.690 0 50 FDAA O=C(NCCCN1CCCC[C@H]1CO)C1CCN(C2CCCC2)CC1 828710817 JTGADNGURAKRGD-IBGZPJMESA-N 351.535 1.994 0 50 FDAA O=C(NC[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccon1 826593284 XXPPLMMEACGLMJ-GFCCVEGCSA-N 367.402 1.644 0 50 FDAA 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55133245 WIFQSSZBMSGMAT-ZDUSSCGKSA-N 356.875 1.937 0 50 FDAA COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@H](c2nc(C)no2)C1 111864338 CRRSAQXWGSQALR-LSDHHAIUSA-N 351.451 1.378 0 50 FDAA Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)N=C(N2CCOCC2)N1 9225275 VLJWXSFTHQQEGO-CYBMUJFWSA-N 350.806 1.164 0 50 FDAA COC(=O)[C@H](CO)NC(=O)NC(=O)c1sc2ccccc2c1Cl 23114970 KEPALNUKFKFIMG-QMMMGPOBSA-N 356.787 1.528 0 50 FDAA O=C(Nc1ccc(-n2cnnn2)cc1)C1CCN(C2CCOCC2)CC1 20684335 BSFVQUOMWLAEMX-UHFFFAOYSA-N 356.430 1.492 0 50 FDAA Cc1cnc(C)c(N2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)n1 67739710 GLWOROBVDBPHJE-UHFFFAOYSA-N 357.462 1.912 0 50 FDAA O=C(NCc1ccco1)[C@H]1CCCN1CCn1cnc2ccccc2c1=O 117334976 HNQGOHKJHGEXIS-GOSISDBHSA-N 366.421 1.770 0 50 FDAA COC[C@H](O)CNC(=O)c1cc(COc2ccc3ncccc3c2)on1 67805289 LJQDTTKOMIVXMA-CYBMUJFWSA-N 357.366 1.539 0 50 FDAA Cn1cc(-c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cn2)cn1 67935114 BGXXQKWVTAKIOT-UHFFFAOYSA-N 355.442 1.419 0 50 FDAA CS(=O)(=O)N(Cc1noc2c1CCCC2)C[C@@H]1CCc2nccn2C1 328629560 OZCMHLZLQBPMAT-CYBMUJFWSA-N 364.471 1.774 0 50 FDAA CCc1ccccc1C(=O)N1CC[C@@H](N(C)Cc2cc(O)nc(N)n2)C1 328636817 OGPAFUXWKILTGK-OAHLLOKOSA-N 355.442 1.673 0 50 FDAA Cc1cc(NCc2ccc(S(N)(=O)=O)cc2C)nc(-c2cccnc2)n1 444883305 WAHKRERVCUDKFH-UHFFFAOYSA-N 369.450 2.415 0 50 FDAA NC(=O)c1ncccc1C(=O)N1CC[C@](O)(Cc2cccc(Cl)c2)C1 365509011 LNOBFBKTTHPGBJ-SFHVURJKSA-N 359.813 1.654 0 50 FDAA CCOc1ccccc1C(=O)NCC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 156073572 NIJKILUIXSJQQE-QGTPRVQTSA-N 358.438 1.889 0 50 FDAA CCc1cc(NCC[C@@H]2CN(c3cnn(C)c(=O)c3)CCO2)nc(C)n1 77565896 GIMSGINVZWHZKY-MRXNPFEDSA-N 358.446 1.149 0 50 FDAA c1ccc2c(C[C@@H]3COCCN3Cc3nnc4n3CCOC4)c[nH]c2c1 369705580 ZIBRUGJMHICSSL-OAHLLOKOSA-N 353.426 1.733 0 50 FDAA CN(Cc1cnccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CC(C)(C)C)C(=O)[C@@H]13)O2 77506059 MTKJBDCCIFVOAS-ROYATCLZSA-N 370.453 1.263 0 50 FDAA O=C(NC1CCN(c2cnccn2)CC1)c1ccccc1[C@@H]1CCNC1 72149806 AKKVHKROVBKECD-OAHLLOKOSA-N 351.454 1.952 0 50 FDAA Cc1nn(CCC(=O)N2CCC(C(=O)O)(n3cccn3)CC2)c(C)c1C 72410560 RTDUANLUDWKTNM-UHFFFAOYSA-N 359.430 1.497 0 50 FDAA NC(=O)c1cc(C(=O)N2CCSC[C@H]2CC(=O)O)nn1-c1ccccc1 262509106 JSZAZNKEOKSPJN-GFCCVEGCSA-N 374.422 1.004 0 50 FDAA COc1ccc2c(c1)C[C@H](C(=O)NCCc1nc(C(=O)O)cs1)CO2 262892005 CKWRIUAJDLLPAM-NSHDSACASA-N 362.407 1.760 0 50 FDAA CCO[C@H]1C[C@](NC(=O)c2ccc(S(C)(=O)=O)cc2)(C(=O)O)C1(C)C 262800688 MKHCQIZIZWUPEW-GUYCJALGSA-N 369.439 1.478 0 50 FDAA CCc1ccc2nc(C)cc(C(=O)N3C[C@H](O)[C@@H](N4CCOCC4)C3)c2c1 77302992 MHBRKPCKMGOMAV-PMACEKPBSA-N 369.465 1.623 0 50 FDAA O=C(NCCCO)[C@@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 71405542 MYKCTANCRVNGJZ-HXUWFJFHSA-N 373.541 1.904 0 50 FDAA CCn1cnc2c(c1=O)CCN([C@H]1CCCN(c3cccc(F)c3)C1=O)C2 285958232 DEBOGWYNZDLPIR-SFHVURJKSA-N 370.428 1.956 0 50 FDAA Cc1nnc(CCNC(=O)c2cc3sc(N(C)C)nc3s2)n1C 286389235 CSUFKYCRHVEOFA-UHFFFAOYSA-N 350.473 1.833 0 50 FDAA CCOc1ncccc1C(=O)N1CCN(c2ccc3[nH]ncc3c2)C(=O)C1 82097445 XERUCZLHLARCAR-UHFFFAOYSA-N 365.393 1.846 0 50 FDAA O=C(Nc1ncn(CC(=O)N2CCCCCC2)n1)c1ncncc1Cl 176061148 VPLRJNYHPQMQRL-UHFFFAOYSA-N 363.809 1.376 0 50 FDAA COC(=O)N1CCCC[C@@H]1C(=O)N1CCN(c2nc(C)cnc2C)CC1 222920878 JAMJCGUXOKYRKA-OAHLLOKOSA-N 361.446 1.363 0 50 FDAA COCc1c(C(=O)N[C@H](c2cncc(OC)c2)[C@H]2C[C@@H](O)C2)noc1C 223903048 RCYIPEQQWUALCI-RBOXIYTFSA-N 361.398 1.775 0 50 FDAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)[C@H]2C1 426598809 DCCOJCKXNWFGOU-ZIFCJYIRSA-N 371.441 1.390 0 50 FDAA Cc1ccc(CN2CCn3nc([C@@H](O)CC(=O)N(C)C)cc3C2)cc1F 220751195 ZLDSQIPYMIOURQ-SFHVURJKSA-N 360.433 1.858 0 50 FDAA COC[C@@H]1[C@@H](NC2CCN(C(=O)c3cccs3)CC2)[C@@H]2CCO[C@@H]21 223657703 PDRFDUWHAZLAFS-FSDCSDTHSA-N 350.484 1.992 0 50 FDAA O=C(c1cccc(OCc2cccnc2)c1)N1CCc2nc[nH]c(=O)c2C1 179096210 VMEBTBOUTJUBNB-UHFFFAOYSA-N 362.389 1.942 0 50 FDAA C[C@@H](NC(=O)N1CCOCC(F)(F)C1)c1cccc(S(N)(=O)=O)c1 292300195 HTOLEDBUOOPSHB-SNVBAGLBSA-N 363.386 1.072 0 50 FDAA Cc1c[nH]ccc1=NCCNC(=O)N1CCC[C@@H](C(=O)c2nccn2C)C1 426410449 GXGLHVNQPAYCLN-OAHLLOKOSA-N 370.457 1.262 0 50 FDAA COc1ccc(N2C[C@H](C(=O)N3CCCOCC3)CC2=O)cc1Cl 91876503 YKLMMDQBTMCRPR-GFCCVEGCSA-N 352.818 1.950 0 50 FDAA O=C([C@H]1CCC(=O)N(C2CCCC2)C1)N1CCN(c2nccs2)CC1 91626182 YICUXMNFBBUNTF-AWEZNQCLSA-N 362.499 1.973 0 50 FDAA CN1CCCC[C@@H]1CNC(=O)c1cccc(S(=O)(=O)NCCF)c1 95365691 BWGRMTRLDYMFBA-CQSZACIVSA-N 357.451 1.149 0 50 FDAA CCn1c(Cn2cncn2)nnc1C1CCN(c2nccnc2OC)CC1 91951263 CVAUXVLLFUOBCI-UHFFFAOYSA-N 369.433 1.120 0 50 FDAA CC(=O)N1CCC(CNc2nc3c(c(=O)[nH]2)Cc2ccccc2OC3)CC1 95528503 GRNCOJRZDCBZNY-UHFFFAOYSA-N 368.437 1.924 0 50 FDAA COc1ccc(-n2nc(CC(N)=O)nc2-c2c(Cl)c(C)nn2C)cc1 96163413 RDSLRHAXLRDDQI-UHFFFAOYSA-N 360.805 1.666 0 50 FDAA Cc1c(C(=O)N2C[C@H]3CC[C@@H]2CN(C2CCOCC2)C3)cnc2ccnn12 91755490 KDLNGDDFUIOETQ-DOTOQJQBSA-N 369.469 1.753 0 50 FDAA CCC[C@H]1CN(C(=O)CCOc2ccccc2)C[C@@H]1NS(C)(=O)=O 91966689 SMIHDRSGEUQKAN-HOCLYGCPSA-N 354.472 1.632 0 50 FDAA OC1(O)[C@H]([C@@H]2COC3(CCCCC3)O2)O[C@H]2OC3(CCCCC3)O[C@H]21 230020572 XOOYXQMQBKMNDL-XQLPTFJDSA-N 356.415 1.544 0 50 FDAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cc[nH]c2C)CN1Cc1c[nH]cn1 96152248 WFNJTKCJFHXOMT-PBHICJAKSA-N 372.473 1.288 0 50 FDAA O=C(O)CCN1CCN(Cc2ccccc2Cl)[C@H]2CS(=O)(=O)C[C@H]21 91657007 CSPXVDHUWPOJOV-CABCVRRESA-N 372.874 1.098 0 50 FDAA CN1C(=O)[C@@]2(CCCN(CC(=O)Nc3ccn(C)n3)C2)c2ccccc21 244882865 YASZRMPOTLKBIW-LJQANCHMSA-N 353.426 1.369 0 50 FDAA O=C(CCN1CCCC1=O)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 244708186 KPFVKJHBQBCNEH-YRNRMSPPSA-N 358.438 1.562 0 50 FDAA CC(=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3cccnc3)C[C@H]2O)s1 244602024 DWGUOTYUIQIYSH-HUUCEWRRSA-N 359.451 1.711 0 50 FDAA CCOCC(=O)N1CCC(C(=O)NCc2nn(CC)c3ccccc23)CC1 252487790 IBQUMAKPKLWDIU-UHFFFAOYSA-N 372.469 1.948 0 50 FDAA O=C(Cn1ccccc1=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1940195825 OYEKXUBMQSJRBM-APWZRJJASA-N 363.417 1.770 0 50 FDAA Cc1nc([C@H]2CCCN(C(=O)c3ccc4c(=O)n(C)cnc4c3)C2)no1 299757179 IUPAURNOTHXSDO-ZDUSSCGKSA-N 353.382 1.645 0 50 FDAA Cn1c(CCNC(=O)CC2CCN(Cc3ccccc3)CC2)n[nH]c1=O 299798838 UVGDTIUBMTYXNV-UHFFFAOYSA-N 357.458 1.069 0 50 FDAA Cc1cccc(-n2cc(CNC(=O)[C@@H]3CCCCn4nnnc43)cn2)c1 299761501 SRUIEALCWPQOFM-MRXNPFEDSA-N 351.414 1.751 0 50 FDAA O=C(COc1ccc2c(c1)OCO2)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 299754402 JXFSVVZTMWCWLR-KGLIPLIRSA-N 368.389 1.602 0 50 FDAA biogenic COC1CCN(S(=O)(=O)NCc2nncn2C2CCCCC2)CC1 824301093 CNGJICCBIDXOJX-UHFFFAOYSA-N 357.480 1.229 0 50 FDAA Nc1ncccc1CN1CCOC2(CCN(Cc3nccs3)CC2)C1 827591830 BWOOTOHRUZQKHW-UHFFFAOYSA-N 359.499 1.987 0 50 FDAA COc1ccc(C(C)C)cc1S(=O)(=O)NCCN1CCC[C@@H](CO)C1 670472899 IZXYNWFCTVRSJZ-OAHLLOKOSA-N 370.515 1.801 0 50 FDAA CCCN1C[C@@H](NS(=O)(=O)c2ccc3nc(O)cc(C)c3c2)CC1=O 670465142 MOPJQXLMRATHAJ-LBPRGKRZSA-N 363.439 1.538 0 50 FDAA Cc1cc(C)c(C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)c(O)n1 670473107 YMJFRYWICCGMCN-BAUKFBFWSA-N 368.441 1.868 0 50 FDAA CNc1nc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccn2)C3)cs1 1565515078 ATPKTDWAVYROJF-OLZOCXBDSA-N 371.466 1.957 0 50 FDAA Cc1nn(C)cc1[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1O 170807956 NQWJRCFMXWTTEU-BLLLJJGKSA-N 356.426 1.916 0 50 FDAA Cc1nn(C)c2sc(C(=O)NS(=O)(=O)c3cnc4n3CCC4)cc12 408022411 SRVXJJDRZBZKFV-UHFFFAOYSA-N 365.440 1.205 0 50 FDAA O=C(CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1)NC1CCCCC1 194829215 XHFUGXYTIDJZNM-QGZVFWFLSA-N 357.454 1.856 0 50 FDAA Cn1cc(CN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)C2CC2)cn1 1529109550 DVUXEYFCWUUAEZ-MSOLQXFVSA-N 354.410 1.167 0 50 FDAA O=C1CO[C@H](C(=O)NCCc2cccnc2)[C@@H](c2ccccc2Cl)N1 1529125527 NNHIGEBKJNUQIU-SJORKVTESA-N 359.813 1.650 0 50 FDAA Cc1ccsc1[C@H]1CCN(C2CCN(S(C)(=O)=O)CC2)C[C@@H]1O 210043267 HKBZCAZFCNLWNH-GJZGRUSLSA-N 358.529 1.631 0 50 FDAA Cc1ccsc1C(=O)N1CCCN(CCCS(=O)(=O)N(C)C)CC1 1772813680 OAODFQHFOKMHBC-UHFFFAOYSA-N 373.544 1.486 0 50 FDAA COCCN1CCC(CN(C)c2nnc([C@H](N)c3ccccc3)o2)CC1 1772712607 VMMBDHZQJCFSRW-QGZVFWFLSA-N 359.474 1.912 0 50 FDAA Cc1ccc(C)c(CN2CCC[C@H](n3cc(C(=O)NCCCO)nn3)C2)c1 12338029 BITFPUFTJLJPFF-SFHVURJKSA-N 371.485 1.844 0 50 FDAA Cn1ccnc1CN1CCN(C(=O)c2cn(C3CCCCC3)nn2)CC1 15070863 ORQVQTUJIPKQME-UHFFFAOYSA-N 357.462 1.475 0 50 FDAA O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1nc2[nH]c(-c3ccccc3)cc(=O)n2n1 18270825 NLGPIYINVKQCJS-STQMWFEESA-N 363.377 1.764 0 50 FDAA Cc1[nH]c(-c2ccc(F)cc2)nc1C(=O)N1CC[C@@H](CS(N)(=O)=O)C1 1857676906 ZBMAJCZBIXTXJL-LLVKDONJSA-N 366.418 1.275 0 50 FDAA COc1ccc2oc(N3CCC[C@H](CC(=O)N4CCNC(=O)C4)C3)nc2c1 1857699970 GVPJNCFDVXDYSB-CYBMUJFWSA-N 372.425 1.401 0 50 FDAA Cc1[nH]c(-c2ccc(F)cc2)nc1C(=O)N1C[C@@H]2OCCC(=O)N(C)[C@H]2C1 1857701594 RDHTXHAXMBJTGZ-GJZGRUSLSA-N 372.400 1.596 0 50 FDAA CC(=O)N1CCC(C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)CC1 1857727662 XCHPBZYTMRSABW-HSALFYBXSA-N 371.481 1.576 0 50 FDAA O=C(N[C@@H]1C[C@H]2CO[C@@H](CCO)CN2C1)c1c(Cl)cccc1Cl 1857728801 DVWFVBGMEXTZGI-WOPDTQHZSA-N 359.253 1.947 0 50 FDAA O=C(c1cc(=O)c2ccccc2o1)N1C[C@H](O)[C@H](Cc2ccncc2)C1 1857738102 RHEMQLQQVLDIFK-PBHICJAKSA-N 350.374 1.864 0 50 FDAA O=C(Nc1ccccn1)c1cccc(S(=O)(=O)N2CCC[C@@H](O)C2)c1 408525273 SZWDEHMDXGWLME-CQSZACIVSA-N 361.423 1.479 0 50 FDAA COCc1ncc(-c2noc(-c3ccc(CNC(C)=O)cc3)n2)c(N)n1 225606752 ZMAJLNUZVYGJPK-UHFFFAOYSA-N 354.370 1.558 0 50 FDAA NC[C@H]1CCCN1C(=O)c1cccc(COc2ccccc2C(N)=O)c1 238052337 SPSJVZQBSBZYSJ-MRXNPFEDSA-N 353.422 1.928 0 50 FDAA Cc1c(C(=O)N2CCO[C@H](C(=O)O)C2)nnn1-c1cccc2cccnc12 262912332 SNKQUYMJQHOHBC-AWEZNQCLSA-N 367.365 1.050 0 50 FDAA COC(=O)[C@]12C[C@H](N)C[C@H]1CN(CC(=O)Nc1ccc3c(c1)CCC3)C2 903490834 JTIDBXJSUXLLMJ-YRNRMSPPSA-N 357.454 1.326 0 50 FDAA Cc1cc(O)nc(N2CCN(C(=O)Cn3cnc4ccccc43)CC2)n1 924298836 PDPSTGPNMQCIER-UHFFFAOYSA-N 352.398 1.189 0 50 FDAA O=C(NS(=O)(=O)c1cnn2c1CCCC2)[C@@H]1CNCC12CCCCC2 1875292129 XSKJKJDGFJPIKW-ZDUSSCGKSA-N 366.487 1.194 0 50 FDAA C[C@H](Sc1nc(CC(=O)Nc2n[nH]c3c2NCCC3)cs1)C(N)=O 1875357173 VVXNBGFKQPPHDS-ZETCQYMHSA-N 366.472 1.371 0 50 FDAA C[C@]1(NC(=O)C(F)(F)F)CCN(c2nnnn2[C@@H]2CC[C@]23CCCO3)C1 1875404538 LZYGUHKRYVTZCC-DDTOSNHZSA-N 374.367 1.205 0 50 FDAA Cn1cnc(-c2nnc3n2CCN(C[C@@H](O)c2c(F)cccc2F)C3)c1 879582673 YDGBLPFOIQMJCA-CQSZACIVSA-N 360.368 1.506 0 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O=C(C[C@@H]1CCCS(=O)(=O)C1)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 329197572 VIKYUJSWNXPDPO-APHBMKBZSA-N 355.431 1.675 0 50 FDAA CNC(=O)C(C)(C)N(C)C(=O)c1cc(COc2ccccc2OC)[nH]n1 67754687 UVHUMSLOAUFZTA-UHFFFAOYSA-N 360.414 1.594 0 50 FDAA O=C(Nc1ccccc1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 38528094 HSRGROGEWJWMQE-UHFFFAOYSA-N 368.441 1.667 0 50 FDAA CCOC(=O)c1cc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)n(C)n1 2736104 MQZNXHMTNNGHRG-UHFFFAOYSA-N 362.411 1.498 0 50 FDAA COc1ccc(C(=O)NN2C(=O)CN3C(=S)NC(C)(C)C[C@@]32C)cc1 6668650 ABIVWHJEPMINFW-KRWDZBQOSA-N 362.455 1.257 0 50 FDAA CC(=O)NC1CCN(c2nc(-c3ccccn3)nc3c2c(C)nn3C)CC1 72475415 LVEBVAQOLYKMDQ-UHFFFAOYSA-N 365.441 1.839 0 50 FDAA CN(C)Cc1ccccc1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 365855766 LIHNKDSDXOFIDE-SFHVURJKSA-N 358.486 1.127 0 50 FDAA C[C@H](O)C(=O)N1CCC2(CC1)CN(CCN(C)C1CCCCC1)C(=O)O2 72448166 OJUAPIJIWREYCJ-HNNXBMFYSA-N 367.490 1.445 0 50 FDAA Cc1nn(C)c(Cl)c1CN1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1 328634362 MRAUNHNMSKTUIN-GFCCVEGCSA-N 364.837 1.994 0 50 FDAA 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COC[C@@H](C)n1c(CCCC(=O)N2CCN(C)C(=O)C2)nc2cccnc21 77470211 XDTDZZKNUZDLFO-CQSZACIVSA-N 373.457 1.262 0 50 FDAA O=C1NC(=O)[C@]2(CCC[C@@H]2CNC(=O)[C@H]2CCCN2c2ccccc2)N1 332993144 CXMGDCBHTGSAOK-ZXYWRSMDSA-N 356.426 1.150 0 50 FDAA CCn1c(C)ccc(C(=O)N2CCCN(C(=O)c3ccoc3)CC2)c1=O 216152293 UJMQWSJYYQXHGK-UHFFFAOYSA-N 357.410 1.758 0 50 FDAA CO[C@H]1[C@H](NC(=O)c2cc(C)nn2C)c2ccccc2C12CCNCC2 72479413 BPMFEIQQUCAVTN-MSOLQXFVSA-N 354.454 1.849 0 50 FDAA Nc1nc(CCC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)no2)n[nH]1 77427826 JCFXSZFBIDBXPI-GFCCVEGCSA-N 353.386 1.733 0 50 FDAA O=C([C@@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)CCN1)N1CCCC1 72130710 LQFKXULIJIDKEY-KRWDZBQOSA-N 357.433 1.612 0 50 FDAA CCOc1cccc(CN2CCN(CC3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 72435374 BGMAAPHEELSBFY-MOPGFXCFSA-N 364.511 1.779 0 50 FDAA CCc1ccc(OCC(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)cc1 174127905 KASJGAITDUWBOK-MRXNPFEDSA-N 356.426 1.591 0 50 FDAA Cc1cc(N2CCC[C@H](NC(=O)NCCc3ccc(F)cc3)C2=O)n(C)n1 174471338 WFIBTJHEFJASQN-INIZCTEOSA-N 373.432 1.905 0 50 FDAA O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 136309450 ZITSWVTWVKXAFX-NXNVCVFFSA-N 372.421 1.844 0 50 FDAA COC(=O)[C@H]1CCN2C(=O)N(c3ccc(OC(F)F)nc3)C(=O)[C@H]2C1 286120015 SKJCMVOLOOMUJN-WCBMZHEXSA-N 355.297 1.403 0 50 FDAA COc1ccccc1OC1(C(=O)O)CCN(c2cc(C)nc(N)n2)CC1 82107409 LGCIPPULOVBPEP-UHFFFAOYSA-N 358.398 1.878 0 50 FDAA O=C(O)Cn1nccc1[C@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1 426438548 HDRLBWCGZHACML-LBPRGKRZSA-N 353.382 1.864 0 50 FDAA O=C(O)Cn1nccc1[C@H]1CCCN(C(=O)CNC(=O)c2ccccc2)C1 426522825 AMJBPIJKFFVPMG-HNNXBMFYSA-N 370.409 1.104 0 50 FDAA COc1cccc(F)c1C(=O)N[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1O 426465491 SLHXBIBLDLDVEK-HZPDHXFCSA-N 372.396 1.840 0 50 FDAA O=C(CCc1nnc(O)[nH]c1=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 226847862 URKBXAIZFUBRNP-CYBMUJFWSA-N 354.370 1.043 0 50 FDAA CCC[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)Cc1ccc(F)cc1C 91644593 UEBZOBMYABVICO-HOCLYGCPSA-N 356.463 1.853 0 50 FDAA CCn1c(Cn2cccn2)nnc1C1CCN(C(=O)C2CCOCC2)CC1 96166711 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CCOC1CC(CNS(=O)(=O)c2cccc(C)c2)(N2CCOCC2)C1 195427854 FGBVMMMRGYMXHK-UHFFFAOYSA-N 368.499 1.543 0 50 FDAA Nc1nnc(SCC(=O)NC2CCN(C3CCSCC3)CC2)s1 1506431678 VGQWSZNMLMCXOF-UHFFFAOYSA-N 373.573 1.689 0 50 FDAA COc1cc2c(cc1CN1CC[C@@]3(C(=O)O)CCCN(C)[C@@H]3C1)OCO2 1529187180 PCOGXQPFPRWDTE-MJGOQNOKSA-N 362.426 1.795 0 50 FDAA O=C1CO[C@H](C(=O)N2CCC(CCO)CC2)[C@@H](c2ccccc2Cl)N1 1529152047 OEJLATNNSGRRDE-SJORKVTESA-N 366.845 1.517 0 50 FDAA COc1cccc(C(=O)N2C[C@@H]3CN(c4ccncc4)C[C@@]3(CO)C2)c1 1772806364 DMEOMHMZMIYKLB-JXFKEZNVSA-N 353.422 1.661 0 50 FDAA CCN1C[C@@H]2CN(C(=O)CN3CCOC3=O)C[C@]2(CCc2ccccc2)C1 1772706457 QQCNKWAXHAQXOS-NQIIRXRSSA-N 371.481 1.852 0 50 FDAA C[C@@H]1CS(=O)(=O)N(c2cccc(C(=O)Nc3nccs3)c2)C1=O 12003243 WSFRVHZXBYSVTK-SECBINFHSA-N 351.409 1.708 0 50 FDAA COCCN1C[C@@H](C(=O)NCCc2nc(C)c3c(n2)CCCC3)CCC1=O 12764152 FELCUGATTFTIAG-HNNXBMFYSA-N 374.485 1.208 0 50 FDAA Cc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)Cn2cnnn2)cc1C 15062322 PRQXHKWDLHSSBO-INIZCTEOSA-N 351.414 1.669 0 50 FDAA 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CN(c1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)O)CC2)cc1)S(C)(=O)=O 2356163627 LKDFHECCVPHAEE-BETUJISGSA-N 354.428 1.456 0 50 FDAA O=C(c1cccc2ncnn12)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 2356168675 AMUQJECGHMZQOB-DNVCBOLYSA-N 373.416 1.953 0 50 FDAA COc1ccc([C@@H]2CCCN2S(=O)(=O)[C@H](C)C(=O)N(C)C)c(OC)c1 225360737 JFIVFNUTNAWOLA-DOMZBBRYSA-N 370.471 1.647 0 50 FDAA COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)CCN1CCOC[C@@H]1C 225399792 QQJSMXRDLAFWSN-MEDUHNTESA-N 360.376 1.971 0 50 FDAA CCCCN1C[C@@H](C(=O)Nc2nnc(SCCOC)s2)CC1=O 8271659 RRPILHVGTLOBCM-JTQLQIEISA-N 358.489 1.864 0 50 FDAA CCS(=O)(=O)N1CCC[C@H](C(=O)NCCCN2CCC[C@H](C)C2)C1 58448594 GTROENGDRVPJEO-HOTGVXAUSA-N 359.536 1.286 0 50 FDAA COCCNC(=O)c1ccc(NC(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3N(C)C)cc1 102677191 GVQIVYFDSDILQD-VQFNDLOPSA-N 374.485 1.867 0 50 FDAA CC(C)[C@H](C(=O)NC[C@@H]1CCn2ncc(C(N)=O)c2C1)N1CCCCC1 280808367 QBQDSDBAXZNVNI-RHSMWYFYSA-N 361.490 1.171 0 50 FDAA CN1CCc2nc(NC(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)sc2C1 247964856 HGOKYYMFTXROMI-GHMZBOCLSA-N 362.455 1.245 0 50 FDAA CCCCn1ccnc1[C@H]1CCCN(C(=O)c2c[nH]c3ncnn3c2=O)C1 102831950 NOOUGHHCQIBBMT-ZDUSSCGKSA-N 369.429 1.434 0 50 FDAA CCN1CCN(C(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)CC1 20472157 GEBCFSGFEWDOCB-MRXNPFEDSA-N 367.515 1.622 0 50 FDAA COc1ccccc1OC1CN(C(=O)c2cc3n(n2)CCCN(C)C3)C1 65381252 SQFMLOYQUMFNAT-UHFFFAOYSA-N 356.426 1.631 0 50 FDAA CC(C)c1ccc(CN2CCC[C@](O)(CN3CCNC(=O)CC3)C2=O)cc1 67818135 YGRXURJAXZMKBB-NRFANRHFSA-N 373.497 1.485 0 50 FDAA O=C(O)c1nn(CC2CC2)c2c1CN(C(=O)c1cn3ccsc3n1)CC2 67820860 PGIYYXPMKLRVLM-UHFFFAOYSA-N 371.422 1.899 0 50 FDAA CCS(=O)(=O)c1ncc(CN(C)[C@@H](C)c2nccs2)n1CCOC 23130561 GCCXGQUDKCTPMB-LBPRGKRZSA-N 372.516 1.973 0 50 FDAA O=C(NCc1ccccc1-n1ccnc1)c1cn(C[C@H]2CCCNC2)nn1 65492090 PZOPKUSVRFVILU-HNNXBMFYSA-N 365.441 1.393 0 50 FDAA CCn1c([C@@H]2CCCN(Cc3ccc(-n4cncn4)cc3)C2)nn(C)c1=O 67673170 QJYWXAFYDTWTKX-MRXNPFEDSA-N 367.457 1.562 0 50 FDAA O=C(O)c1nn(CC2CC2)c2c1CN(C(=O)c1cnn3c1CCCC3)CC2 67921787 GTLSASBCRDQFMK-UHFFFAOYSA-N 369.425 1.723 0 50 FDAA Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCCN(C(=O)c2ccc[nH]2)C1 72422722 TVQFCHRPSNUQRE-AWEZNQCLSA-N 372.473 1.120 0 50 FDAA c1cc2c(cc1N1CCC(N3CCO[C@@]4(CNCCOC4)C3)CC1)CCC2 72125606 PVIOCCYTKXWBQC-QFIPXVFZSA-N 371.525 1.835 0 50 FDAA Cc1nn(CC(=O)NCCc2nc(C3CC3)no2)c(=O)c2ccccc12 215108347 BEMSMOLCXSSPGH-UHFFFAOYSA-N 353.382 1.324 0 50 FDAA O=C(CNC(=O)NCc1ccnc(-n2ccnc2)c1)Nc1cccc(F)c1 363201002 UAKSNHYQQLBCJH-UHFFFAOYSA-N 368.372 1.844 0 50 FDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(Cc3ncccc3C)CC2)C1 71767983 NYFRSKPANHFIEP-GOSISDBHSA-N 374.529 1.829 0 50 FDAA CN(C)c1ncnc2c1CCN(C(=O)CN1CC[C@@H](c3ccccc3)C1)C2 71771122 UMRIWPQQINBYOW-QGZVFWFLSA-N 365.481 1.917 0 50 FDAA O=C(Cn1cncn1)N1CCC2(CC1)CN(CCc1ccccc1)C(=O)O2 77521129 PLKLLEBZVJGDFY-UHFFFAOYSA-N 369.425 1.334 0 50 FDAA O=C([C@@H]1CCc2ccccc2O1)N1CCC(C(=O)O)(n2ccnc2)CC1 72479427 VZUMQMLUNJXSME-INIZCTEOSA-N 355.394 1.679 0 50 FDAA C[C@H]1CCCN1S(=O)(=O)Nc1ccccc1-n1ccc(C(=O)O)n1 331691442 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PUNRTVOUBUCWGI-LLVKDONJSA-N 353.469 1.706 0 50 FDAA CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@@H]3c3ncc[nH]3)cc21 374756215 XZKKPURETXIXOH-OAHLLOKOSA-N 360.439 1.845 0 50 FDAA COc1cc2c(cc1C(=O)N1CCOC[C@](O)(CN3CCCC3)C1)CCC2 77299184 SLMGYKLCXFPCFB-NRFANRHFSA-N 374.481 1.483 0 50 FDAA Cc1ccccc1[C@@H](CC(=O)O)NC(=O)Cn1c(=O)[nH]c2ccccc21 237594852 UZWBFDMFZRSOQQ-OAHLLOKOSA-N 353.378 1.970 0 50 FDAA C[C@H](C(=O)N1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1)n1ccnc1 72158799 OSDVXFDOQBBGMM-GFCCVEGCSA-N 350.382 1.174 0 50 FDAA COc1cc2c(cc1CN1CCC[C@](O)(CN(C)C)C1)OCCCO2 72420397 NVPVBQRVYHZTKD-IBGZPJMESA-N 350.459 1.745 0 50 FDAA Cc1ccc2oc(=O)n(CC(=O)N3CCC[C@@H](N4CCCC4=O)C3)c2c1 71662228 GAUUIFARVILSBJ-CQSZACIVSA-N 357.410 1.516 0 50 FDAA Cc1n[nH]c2ncc(NC(=O)c3ccc(C[C@H]4CC(=O)NC4=O)cc3)cc12 175431478 UYJYDWGJVMFPHR-ZDUSSCGKSA-N 363.377 1.724 0 50 FDAA Cc1nc(C)n(CCCNc2nccc(-c3cc(C(=O)O)ccn3)n2)n1 77301851 SPVQIZJETOGMEA-UHFFFAOYSA-N 353.386 1.947 0 50 FDAA CCc1cc(=O)[nH]c(-c2ccc(N3CCN(CCOC)[C@H](CC)C3)nc2)n1 174737238 WBVHYFMBSSEOMI-QGZVFWFLSA-N 371.485 1.941 0 50 FDAA COC(=O)CC[C@H]1NC(=O)N(c2cc3c(cc2Cl)OCCCO3)C1=O 286016275 PJZJVLIPIMKVMU-SNVBAGLBSA-N 368.773 1.879 0 50 FDAA CCS(=O)(=O)N1CCC[C@H](C(=O)NCCCN2CCC[C@@H](C)C2)C1 226818892 GTROENGDRVPJEO-CVEARBPZSA-N 359.536 1.286 0 50 FDAA CN(CC(=O)N1CCN(Cc2ccccc2CO)CC1)Cc1ccccn1 220736727 HTQYVLXTTYVQOI-UHFFFAOYSA-N 368.481 1.350 0 50 FDAA CC[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cn(-c3ccccc3)nn1)C2 220356077 HJNGZUPKTIASQA-SFHVURJKSA-N 366.425 1.953 0 50 FDAA CN(C)C(=O)c1cncc(-c2cccc(C(=O)N[C@H]3CC[C@H](O)CC3)c2)n1 426634186 LWBZEZUZRXWPBZ-WKILWMFISA-N 368.437 1.879 0 50 FDAA C[C@H](C(=O)Nc1ccc(F)cc1)n1ncc(N2CCCN(C)CC2)cc1=O 19228725 GWLNJFHXYAHVPJ-CQSZACIVSA-N 373.432 1.724 0 50 FDAA Cc1cccc(C(=O)N2CCn3nc(CNC(=O)C4CCC4)cc3C2)n1 426414866 ZFJHICOMAQSSAV-UHFFFAOYSA-N 353.426 1.659 0 50 FDAA Cc1nc([C@H](C)NC(=O)c2coc(COc3ccc4c(c3)OCO4)n2)n[nH]1 91476418 FPZMGSFMCFPPFV-VIFPVBQESA-N 371.353 1.900 0 50 FDAA CN(CCO)C(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1 91829854 BDAKKNZODGRWQQ-UHFFFAOYSA-N 362.405 1.200 0 50 FDAA Cc1cnc2c(C(=O)NCCS(=O)(=O)c3ccc(F)cc3)cnn2c1 97173301 LTEXLRWPASDFNC-UHFFFAOYSA-N 362.386 1.381 0 50 FDAA O=C([C@@H]1CCCN1C(=O)CN1C(=O)CCc2ccccc21)N1CCCCC1 95515339 ZXSIKGRTZCRBMP-SFHVURJKSA-N 369.465 1.969 0 50 FDAA COCC(=O)N1CCCN(C(=O)Nc2ccc(-c3ccn[nH]3)cc2)CC1 95498013 SIFGAGQAXQGKBW-UHFFFAOYSA-N 357.414 1.789 0 50 FDAA Cn1c(N2CC[C@H](O)C2)nc2cc(C(=O)NCc3ccc(O)cc3)ccc21 95363743 IDOUPJDEQYDOMZ-INIZCTEOSA-N 366.421 1.780 0 50 FDAA O=C(Cn1ncc2ccccc2c1=O)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2 95497139 HENHWLGNTYRAST-SJLPKXTDSA-N 366.465 1.729 0 50 FDAA CN1C[C@@]2(CCCN(C(=O)Cn3c(=O)ccc4ccccc43)CC2)OC1=O 95526044 XJBYDXDKHZYZFY-FQEVSTJZSA-N 369.421 1.835 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(C)s2)CN1Cc1cccnc1 96165161 KNRNGPPARRJOBJ-HOTGVXAUSA-N 372.494 1.961 0 50 FDAA CN1C(=O)[C@@H](CC(=O)NCc2cccc(CN3CCCC3)c2)N(C)C1=O 91365218 QQMDVBHOHYPDCF-MRXNPFEDSA-N 358.442 1.181 0 50 FDAA COCC[C@]1(CO)CCCN(C(=O)c2ccc(S(C)(=O)=O)cc2)C1 91468478 CUBVZHJMGKSMKK-QGZVFWFLSA-N 355.456 1.341 0 50 FDAA COc1ccc([C@H](C(=O)O)N2CCCN(C(C)=O)CC2)c(OC)c1OC 95363410 UYZUHOSMHOFJML-OAHLLOKOSA-N 366.414 1.392 0 50 FDAA Cc1cc(=O)[nH]c(NCCNC(=O)c2ccc([C@@H]3CCCNC3)cc2)n1 95392198 PSLOTKJMIBJPEM-MRXNPFEDSA-N 355.442 1.387 0 50 FDAA Cn1cnc(S(=O)(=O)N2CCc3[nH]c(-c4cccc(F)c4)nc3C2)c1 97660640 UPXKRJWUPZVOIZ-UHFFFAOYSA-N 361.402 1.696 0 50 FDAA CN(CCc1cn[nH]c1)S(=O)(=O)c1ccc(C(=O)NCC2CC2)cc1 91518935 YTYBMXWZTYZBHJ-UHFFFAOYSA-N 362.455 1.413 0 50 FDAA COCCc1noc([C@@H]2CCCN2C(=O)c2cnc(C3CC3)[nH]c2=O)n1 91643854 XVDRLYZAMQVBPW-LBPRGKRZSA-N 359.386 1.197 0 50 FDAA O=C(O)[C@@H]1Cc2[nH]cnc2CN1C(=O)c1cnc(Nc2ccccc2)nc1 96132652 FQUYBLZXFHGXDD-HNNXBMFYSA-N 364.365 1.595 0 50 FDAA Cc1c(C(=O)N[C@@H]2CCN(CC3CCCC3)C2)nnn1C1CCNCC1 237773475 VQYVBCIZWPNDNI-MRXNPFEDSA-N 360.506 1.505 0 50 FDAA Cn1ccc(NC(=O)CN(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)n1 244773686 PEQHFCDQHUWHQL-HNNXBMFYSA-N 362.455 1.048 0 50 FDAA CN1CCCNC(=O)C12CCN(C(=O)CC1Cc3ccccc3C1)CC2 244898873 ZDCIKKPUJIPRFI-UHFFFAOYSA-N 355.482 1.604 0 50 FDAA Cc1cccc(CC(=O)N[C@H]2C[C@H](c3nnc(Cn4cccn4)n3C)C2)c1 244840303 UKRTVEYZCHXPES-QAQDUYKDSA-N 364.453 1.973 0 50 FDAA COc1ccc(-c2n[nH]cc2CNC(=O)Cn2c(C)cc(C)nc2=O)cc1 244787733 QCRBPELNVYFXSA-UHFFFAOYSA-N 367.409 1.575 0 50 FDAA CN(C)[C@@H](CNC(=O)c1cn([C@H]2CC[C@@H](N)CC2)nn1)c1ccccn1 252668219 DYWMKVFPIYBTDG-VBQJREDUSA-N 357.462 1.148 0 50 FDAA Cn1nc(-c2ccc(C(=O)NCCN3CCCC[C@H]3CO)cc2)ccc1=O 534633458 INWKORQJNNVFPT-KRWDZBQOSA-N 370.453 1.024 0 50 FDAA Cc1nc2c(NC(=O)N3CCC([C@@H](O)c4nccn4C)CC3)cccn2n1 299798122 PURJACSFRROEEO-OAHLLOKOSA-N 369.429 1.749 0 50 FDAA C[C@H](CCNC(=O)N1CCC(O)(c2cccnc2)CC1)N1CCOCC1 584884095 BKCSDNSIEPZVAJ-MRXNPFEDSA-N 362.474 1.185 0 50 FDAA Cc1ccc(NC(=O)CN(C)C)c(NC(=O)c2cn(C)c(C)cc2=O)c1 823676175 PDKSPFLBVADFAC-UHFFFAOYSA-N 356.426 1.755 0 50 FDAA Cc1nc(CN2CC[C@H](NC(=O)c3n[nH]c4c3CCC4)[C@@H](O)C2)cs1 1565512917 OOWQVDJRQPIKFZ-GJZGRUSLSA-N 361.471 1.029 0 50 FDAA COc1ccc2c(c1)OC[C@@]1(C(=O)O)CN(C(=O)C3CCN(C)CC3)C[C@@H]21 1565526758 OTZWLPPNOHEPRM-JXFKEZNVSA-N 374.437 1.426 0 50 FDAA Cc1ccccc1NC(=O)CCNC(=O)NC[C@H]1CCS(=O)(=O)C1 952968370 MMVHOTHOZYVLTJ-CYBMUJFWSA-N 353.444 1.058 0 50 FDAA Cc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3C)n(C)n1 75939256 OPFQUOQWILYKGQ-KGLIPLIRSA-N 370.457 1.130 0 50 FDAA CCOc1ccc(S(=O)(=O)N2CCO[C@@H](c3cnn(CC)c3)C2)cn1 275318726 ORDZDFAIGSEPSE-OAHLLOKOSA-N 366.443 1.459 0 50 FDAA CC[C@@H](CSC)NC(=O)C(=O)Nc1cc([C@H]2CCCOC2)nn1C 280590043 XLBMGOOQNFDUIC-RYUDHWBXSA-N 354.476 1.510 0 50 FDAA Cc1nc(C)c(C(=O)N2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)nc1C 408036785 XCYOPOLGRIUFME-CQSZACIVSA-N 356.430 1.791 0 50 FDAA CCC(C)(C)c1ccc(S(=O)(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3)cc1 1704312792 AZSLXGDXPGKSQG-HIFRSBDPSA-N 366.483 1.510 0 50 FDAA CCCn1ncc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3CCNC)C2)c1C 212615651 AXBWKAZDODAMMQ-WBVHZDCISA-N 361.490 1.274 0 50 FDAA Cc1nn(C)cc1C(=O)N1CCC[C@]2(CCc3cnc(N(C)C)nc32)C1 1704299681 PYQHIJLDJWYHAI-IBGZPJMESA-N 354.458 1.705 0 50 FDAA CC[C@@]12C[C@@H]1CN(S(=O)(=O)c1ccc3c(c1)N(C(C)=O)CCO3)C2 1772819903 XDGJPWLFIJSTDL-DYVFJYSZSA-N 350.440 1.853 0 50 FDAA COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)CNC(C)=O)C1 12571521 YPSBQNBEFKMUEP-QGZVFWFLSA-N 361.486 1.544 0 50 FDAA O=C(C[C@@H]1Cn2ncc(-c3ccccc3)c2NC1=O)NC[C@H]1CCCO1 16624613 FESJVJGUOAPPLR-HUUCEWRRSA-N 354.410 1.804 0 50 FDAA CCOc1cc(C(=O)NCCN2CCOCC2)cc(OCC)c1OCC 19720166 XBYMBWQUHXYLKE-UHFFFAOYSA-N 366.458 1.945 0 50 FDAA COc1cccc2c1OC[C@@H](C(=O)N1CCc3[nH]nc(C(=O)O)c3C1)C2 1857677492 DVXJWBHTKQJZSW-NSHDSACASA-N 357.366 1.253 0 50 FDAA O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)[C@H]1CCc2ncnn2C1 1857712128 LNEJCEHJLNTUIX-KRWDZBQOSA-N 367.453 1.783 0 50 FDAA O=C(NCCc1nc(Cc2ccccc2)no1)[C@@H]1CCc2ncnn2C1 1857720375 QXJQPNKMEWJRRW-CQSZACIVSA-N 352.398 1.173 0 50 FDAA O=C(c1c[nH]nc1-c1cccc(F)c1)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857733061 TTZZRASSQMZHBC-KDOFPFPSSA-N 356.357 1.389 0 50 FDAA O=C(O)[C@]1(CC2CC2)CN(Cc2cnc(N3CCCCC3)nc2)CC[C@H]1O 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Cc1cccc(C(=O)NC[C@H]2C[C@H](c3nn(C)c(=O)n3C)C[C@H]2O)c1C 952849229 TYGIHEPANSSIKC-SQWLQELKSA-N 358.442 1.020 0 50 FDAA CO[C@@H]1C[C@H](CNC(=O)c2occc2C)N(c2cc(N(C)C)ncn2)C1 952887301 NAEOIZISCHXGPN-ZIAGYGMSSA-N 359.430 1.468 0 50 FDAA C[C@H](C(=O)N(CCc1ccccc1)CCc1ccccc1)S(N)(=O)=O 1875281284 ZRMOEZXCEQOABK-MRXNPFEDSA-N 360.479 1.977 0 50 FDAA Cc1cc(CNC(=O)N2CCC[C@](C)(C(=O)O)C2)nc(N2CCCC2)n1 1875276795 CLPWNLORKLSZBC-SFHVURJKSA-N 361.446 1.782 0 50 FDAA CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCc2cccc(C(F)(F)F)c2C1 1875284799 NEJBKBNZSWIHKI-DOMZBBRYSA-N 356.344 1.572 0 50 FDAA Cc1nc(CC(=O)N2CCC[C@H]([C@@H]3CCN(C(=O)CC4CC4)C3)C2)n[nH]1 1875322415 RXAXLFWQBILKRJ-JKSUJKDBSA-N 359.474 1.543 0 50 FDAA CC(C)n1nncc1S(=O)(=O)N1C[C@H](C2CCCC2)C[C@H]1C(=O)O 1875406155 YFPPFDCBRUVWRZ-OLZOCXBDSA-N 356.448 1.513 0 50 FDAA CC1(C)[C@H](NC(=O)CN2C[C@H]3CC[C@H]2C3)CCN1C(=O)Cn1cccc1 1875406270 ARVURTRYRHUIPW-YESZJQIVSA-N 358.486 1.468 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1cncnc1-c1ccccc1 1875402719 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CC(C)CCN1C[C@]2(CCCN(C(=O)c3c[nH]c(=O)cn3)C2)CCC1=O 77337134 QANOUHYENZKBCQ-IBGZPJMESA-N 360.458 1.661 0 50 FDAA Cc1cc(CC(=O)N2CCc3[nH]c(-c4ccc(C(N)=O)cc4)nc3C2)on1 223658615 BCQVBSAKBKUSJX-UHFFFAOYSA-N 365.393 1.599 0 50 FDAA CC(=O)N1CCCn2nc(CNC(=O)c3ccc(C(C)C)[nH]c3=O)cc2C1 82136998 RZIGCVMMVWBVIL-UHFFFAOYSA-N 371.441 1.377 0 50 FDAA O=C(CCc1n[nH]c2c1CCCC2)N1C[C@@H]2CCN(C(=O)C3CC3)[C@@H]2C1 82145617 VIAYVOJYSBWQIJ-KBXCAEBGSA-N 356.470 1.690 0 50 FDAA CC(=O)[C@@H]1CC(C(=O)N2CCC(F)(F)[C@@H](CO)C2)=NN1c1ccccc1 291351104 WHRSAGPJXCCFOD-CJNGLKHVSA-N 365.380 1.686 0 50 FDAA Cc1nccn1CCNC(=O)N1CCC(C(=O)NCc2ccccc2)CC1 426358675 USUWUHHJYCZDDQ-UHFFFAOYSA-N 369.469 1.930 0 50 FDAA COc1cccc([C@H]2CN(CC(=O)N3CCCCC3)C[C@@H]2NC(C)=O)c1 92028594 AKSIZQIYDPNYPW-MOPGFXCFSA-N 359.470 1.612 0 50 FDAA COc1ccc(CNC(=O)C[C@H]2NC(=O)N(Cc3ccccc3)C2=O)cc1 334162687 WWJLGJPKRVBDBT-QGZVFWFLSA-N 367.405 1.822 0 50 FDAA CN1CCN(S(=O)(=O)N2CCC[C@H](c3cccc(C(=O)O)c3)C2)CC1 95383714 QZHKYFBDSFQQAM-INIZCTEOSA-N 367.471 1.056 0 50 FDAA CC(C)Cc1cc(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)on1 91871301 RGTNZGAMPYSNSN-UHFFFAOYSA-N 357.476 1.112 0 50 FDAA COc1cc(C(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)ccn1 95367241 BLSSCUAAPXDALC-INIZCTEOSA-N 357.458 1.868 0 50 FDAA Cc1ccc(-n2nc(CC(N)=O)nc2[C@@H](C)N2CCN(C)CC2)c(C)c1 96154076 FUEOCSQUNOSKMC-OAHLLOKOSA-N 356.474 1.220 0 50 FDAA O=C(NC[C@H]1CCCS(=O)(=O)C1)c1ccc(OC(F)F)c(F)c1 293878204 CYOYMCCSQGPANM-SECBINFHSA-N 351.346 1.982 0 50 FDAA O=C(c1ccc(CO)cc1)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)O)C1 95518780 CAICHSIJEKDKJW-OXQOHEQNSA-N 353.374 1.882 0 50 FDAA Cc1ccc([C@@H](CNC(=O)c2c(C)nc3ncccn23)N2CCOCC2)o1 97288859 SGIYEXBHNATBHU-OAHLLOKOSA-N 369.425 1.742 0 50 FDAA Cc1nc(CCNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)cc(=O)[nH]1 91462720 JGTNCFWGPOBXEF-UHFFFAOYSA-N 350.378 1.406 0 50 FDAA Cc1ccc(-c2cc(C(=O)NCCS(=O)(=O)N3CCCC3)[nH]n2)s1 91440389 IXYCLJDKGBFULV-UHFFFAOYSA-N 368.484 1.602 0 50 FDAA O=C1C[C@@H](NCc2cccc3cnccc23)CN1CCN1CCOCC1 181531804 XDTDRDKHYLXEMG-GOSISDBHSA-N 354.454 1.258 0 50 FDAA O=C1CC(c2ccc(NS(=O)(=O)N3CCCCC3)cc2)CC(=O)N1 296745569 PEUWQRNDGRYXBC-UHFFFAOYSA-N 351.428 1.349 0 50 FDAA COc1ccc(CC(=O)N[C@@H]2CCN(C(=O)c3ccccn3)C[C@H]2O)cc1 252485455 GVYZICUUIRRLSM-SJLPKXTDSA-N 369.421 1.025 0 50 FDAA Cc1nnc(SCC(=O)N[C@H]2C[C@@H](c3cc(O)nc(N)n3)C2)s1 253535538 AMZAMYRFROLVLV-OCAPTIKFSA-N 352.445 1.079 0 50 FDAA C[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1)C(=O)O 299738484 BIFWMDLGOOQYEB-RLCGTCKNSA-N 358.316 1.814 0 50 FDAA CNC(=O)[C@H]1CCCN1C(=O)c1ccc(-n2ncc(C(=O)O)c2C)cc1 299747360 CTRHNAOPXLXBFK-OAHLLOKOSA-N 356.382 1.230 0 50 FDAA CCO[C@H](C)CNC(=O)N1CCN(CC(=O)N(C)c2ccccc2)CC1 534645462 QUTVSFTYMJOLQC-MRXNPFEDSA-N 362.474 1.402 0 50 FDAA Cc1nc(O)nc(C)c1CCC(=O)N1CCN(Cc2ccccc2)C(=O)C1 299802531 YUBBFKGOLSTRGC-UHFFFAOYSA-N 368.437 1.603 0 50 FDAA Cc1cc(C)nc(S[C@@H](C)C(=O)NCCCc2nnc(N)s2)n1 299763588 OYPKMMWNPFNCTB-JTQLQIEISA-N 352.489 1.757 0 50 FDAA Cn1ncc(CN2CCn3nc(CNc4cnccn4)cc3C2)c1C1CC1 299803031 UVLKYDSJNGHELH-UHFFFAOYSA-N 364.457 1.912 0 50 FDAA O=C(O)c1ccc(N2CCn3nc(CNC(=O)C4CCCC4)cc3C2)nc1 299797114 PPIQRNRHXGOTMN-UHFFFAOYSA-N 369.425 1.803 0 50 FDAA O=C(Cc1n[nH]c2ccccc12)NCCn1nc(O)c2ccccc2c1=O 827857604 BWOCMDWZFZXQBZ-UHFFFAOYSA-N 363.377 1.337 0 50 FDAA O=S(=O)(CC1CCCC1)NC12C[C@H]3C[C@@H](C1)CC(n1ncnn1)(C3)C2 828388868 UQCUAGMCIBODJH-RYTJFDOTSA-N 365.503 1.831 0 50 FDAA COC[C@@H](c1ccccn1)N(C)C(=O)NCC(C)(C)N1CCN(C)CC1 584887929 YLFDUXAHYYIUDS-KRWDZBQOSA-N 363.506 1.437 0 50 FDAA COc1cccc(N2C[C@H](NC(=O)N3CCc4nc(C)[nH]c4C3)CC2=O)c1 584896589 XVYWVNUPIXOXAV-CYBMUJFWSA-N 369.425 1.600 0 50 FDAA Cc1nc(C)c(-c2cccc(C(=O)NCCS(=O)(=O)N(C)C)c2)[nH]1 584892833 OAZFIFKVZNVUKI-UHFFFAOYSA-N 350.444 1.315 0 50 FDAA COc1cccc2c1CC[C@@]2(N)C(=O)N1CCC(c2nc(C)no2)CC1 1341374256 BZUQGFLGFWBXEU-IBGZPJMESA-N 356.426 1.893 0 50 FDAA C=CC(=O)Nc1ccc(O)c(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)c1 1455489162 FCODJNPIVBLQEF-INIZCTEOSA-N 365.389 1.569 0 50 FDAA Cc1cnc(C(=O)N2CCC3(CC2)CN(c2nccnc2C)CCO3)cn1 952872245 LYMKOCUIRXUZRB-UHFFFAOYSA-N 368.441 1.395 0 50 FDAA Cc1nc(CO[C@H]2CCN(C(=O)c3ccc(-n4cnnn4)cc3)C2)cs1 170614245 XRXXCESMKPOYOO-INIZCTEOSA-N 370.438 1.859 0 50 FDAA CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)OCCn1cncn1 170620486 RNRRDBVNGDZXOM-OAHLLOKOSA-N 358.398 1.525 0 50 FDAA Cc1oc2ccccc2c1CNC(=O)N1CCC(CS(N)(=O)=O)CC1 192590818 RESVQGLRNJVOKN-UHFFFAOYSA-N 365.455 1.951 0 50 FDAA CCC[C@@H](C)N1C[C@H](C(=O)N2C[C@H](OC)C[C@@H]2c2nnc(C)o2)CC1=O 779857442 XLPDFQMGDFHKNT-NMFUWQPSSA-N 364.446 1.704 0 50 FDAA O[C@H]1CN(C2CCN(Cc3ccccc3)CC2)C[C@@H]1Cc1cnccn1 1615965061 ANUGLZZAIBXXQL-RXVVDRJESA-N 352.482 1.976 0 50 FDAA Cc1cc(=O)n(CCN2CCN(c3ncnc4ccccc34)CC2)c(O)n1 1506397797 HNDYZFFULUZYPS-UHFFFAOYSA-N 366.425 1.023 0 50 FDAA O=C1CC[C@@H](CN(Cc2ccncc2)C(=O)c2scc3c2OCCO3)N1 1506415910 BOSHMMRKXLKMCR-ZDUSSCGKSA-N 373.434 1.835 0 50 FDAA Cc1ccc(C(=O)N2CCC(Nc3cc4nncn4c(N)n3)CC2)cc1 1529126827 RFUDZNNELXJHNH-UHFFFAOYSA-N 351.414 1.732 0 50 FDAA CN(C)CCc1nnc(NC(=O)[C@H]2CC(=O)N(C)c3ccccc32)s1 1529152330 JISSLIXMXRKFBZ-LBPRGKRZSA-N 359.455 1.731 0 50 FDAA 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CUBVSWJWVSENGU-UONOGXRCSA-N 369.893 1.988 0 50 FDAA Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCO[C@@H](c2cccs2)C1 280167178 CEEFMFLPYGJNFN-RDTXWAMCSA-N 362.451 1.569 0 50 FDAA CCc1nn(C)c(CC)c1CC(=O)N1Cc2ccccc2C[C@H]1C(N)=O 191393184 DMIUYQPHRQDPJK-SFHVURJKSA-N 354.454 1.526 0 50 FDAA COc1cccc(OCC(=O)N2CCCN(C(=O)[C@@H]3CCOC3)CC2)c1 1704357142 CGJRUDXIEIIPMW-OAHLLOKOSA-N 362.426 1.171 0 50 FDAA CO[C@@H]1C[C@H](C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)CC[C@@H]1O 1704304511 GFZQLCXNKJEEQA-PTNNIDBUSA-N 374.485 1.618 0 50 FDAA NC(=O)[C@H](Cc1ccc(O)cc1)Nc1cc(C(=O)N2CCCCC2)ccn1 1704338864 IBIHVYKNGKUCFR-KRWDZBQOSA-N 368.437 1.922 0 50 FDAA CNC[C@@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1F 237156362 PUQBGMGVMNAXDT-JTQLQIEISA-N 351.241 1.961 0 50 FDAA Cc1ncc(C(=O)N2CCCN(C(=O)c3ccc(Cl)o3)CC2)c(O)n1 1772712701 WVOVMHOEXCSNSW-UHFFFAOYSA-N 364.789 1.725 0 50 FDAA Cc1cccc(C(=O)N2CCCN(Cc3cnn4cccnc34)CC2)n1 1772808399 PBTFXMOXBLHQJG-UHFFFAOYSA-N 350.426 1.781 0 50 FDAA CCN(CC)S(=O)(=O)N1CCCN(C(=O)c2csc(C)n2)CC1 1772815146 KBQMWIGGRRBRMT-UHFFFAOYSA-N 360.505 1.186 0 50 FDAA COc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)Cc3cnn(C(C)C)c3)C2)cc1 11817173 HIFJYCMGWIKCRB-OALUTQOASA-N 372.469 1.790 0 50 FDAA C[C@H]1CS(=O)(=O)N(c2cccc(C(=O)Nc3nccs3)c2)C1=O 12003246 WSFRVHZXBYSVTK-VIFPVBQESA-N 351.409 1.708 0 50 FDAA COc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)N[C@H](C)C(=O)O)cc1 12381015 FKQOCJPOGWADSB-ZTMOJVSCSA-N 358.350 1.648 0 50 FDAA COc1cc(CN2CC(=O)N(Cc3cccnc3)C[C@H](O)C2)ccc1F 14531852 VYYOKJSNTMUPCI-MRXNPFEDSA-N 359.401 1.435 0 50 FDAA Cc1nc([C@@H](N)C(C)C)n(CC(=O)N(C)CCn2cnc3ccccc32)n1 1857672918 MJYZQRBJTRYPMJ-SFHVURJKSA-N 369.473 1.751 0 50 FDAA COc1cc(Cl)ccc1C(=O)N1CC[C@H](O)[C@@]2(CCCNC2=O)C1 1857690659 JVBIYZPJZPCISZ-WMLDXEAASA-N 352.818 1.452 0 50 FDAA Cc1nc(O)c2c(n1)C1(CC2)CCN(C(=O)c2cn3cccnc3n2)CC1 1857719329 KBMMJKPHGJVUQC-UHFFFAOYSA-N 364.409 1.654 0 50 FDAA N=c1[nH]c(C(=O)N2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)cs1 1857735846 CJUDWPYRISDJLK-IYOUNJFTSA-N 370.434 1.470 0 50 FDAA COCc1cc(N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)ncn1 247917629 ZPPSMSKGZTXEEC-DOMZBBRYSA-N 359.455 1.707 0 50 FDAA CCS(=O)(=O)NCC(=O)N1CCN([C@H](C)c2ccc(Cl)cc2)CC1 136138564 RZJZNOQJCDVWCT-CYBMUJFWSA-N 373.906 1.485 0 50 FDAA Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1C[C@H]2COC[C@H](CN2C)C1 1704355750 WYQSSXGJRPPYRM-CABCVRRESA-N 356.492 1.032 0 50 FDAA O=C(O)[C@@H]1[C@H]2CN(C(=O)c3cn(-c4cccc(Cl)c4F)nn3)C[C@H]21 910796433 BJVYNUILRDCJGY-JDICNCQASA-N 350.737 1.462 0 50 FDAA CCOc1nnc(CN2CCC3(CC2)C[C@H]3NC(=O)c2cn[nH]c2)s1 952895662 ZXKGNINMLFHWMO-GFCCVEGCSA-N 362.459 1.444 0 50 FDAA Cc1ccccc1CN(C)C(=O)CN(C)C[C@H]1OCC[C@H]1c1nc[nH]n1 952889846 IJGCSPLMVUWBTF-IAGOWNOFSA-N 357.458 1.576 0 50 FDAA Cn1ncnc1COCC(=O)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 952963478 RCBSMOJHBKWNAR-HNNXBMFYSA-N 369.425 1.283 0 50 FDAA O=C(O)[C@H](c1cc(F)cc(F)c1)N1CCC2(CCS(=O)(=O)CC2)C1 1875291187 QOEOKMQOXZRUJJ-AWEZNQCLSA-N 359.394 1.991 0 50 FDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](Nc3nc(C)ncc3C)C2)n1 1875301774 UFUUJGKTMAIMTR-CQSZACIVSA-N 355.446 1.551 0 50 FDAA O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1c[nH]nc1-n1cnnn1 1875353781 GDUUTOIGSHDKNA-CYBMUJFWSA-N 355.358 1.196 0 50 FDAA COC[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1cc2ccccc2s1 1875315913 MQCJBSFWISVJGT-ZDUSSCGKSA-N 373.434 1.266 0 50 FDAA CC(C)c1c[nH]nc1C(=O)N1C[C@H](C)[C@H](NC(=O)c2ccncc2F)C1 1875345443 XTNKJHZKYYHNCL-XHDPSFHLSA-N 359.405 1.958 0 50 FDAA Cc1cc(O)c(C(=O)N2CCC([C@@H]3CCN(C(=O)C4CC4)C3)CC2)nn1 1875332406 QPKWYNBSCDFJSN-OAHLLOKOSA-N 358.442 1.601 0 50 FDAA Cn1cc([C@H]2OCC[C@@H]2NC(=O)c2cnn(C)c2Br)cn1 886060512 CYZOVUQPIVXNGA-WDEREUQCSA-N 354.208 1.176 0 50 FDAA Cn1cnnc1C[C@@]1(O)CCCN(Cc2nccn2-c2ccccc2)C1 886088230 DUHGDCDMSRZEAR-IBGZPJMESA-N 352.442 1.570 0 50 FDAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)CCOC2CCOCC2)C1 888103298 URWYSYQXKZAELW-CVEARBPZSA-N 351.447 1.901 0 50 FDAA C[C@@H]1Cc2cccc(S(=O)(=O)N3CCNC[C@@H]3c3ccncc3)c2O1 2325774225 RPZNBXDSRSXWII-CZUORRHYSA-N 359.451 1.740 0 50 FDAA Cc1ccc(C(=O)N2CC[C@H]3C[C@H]2CN3C(=O)c2ccccn2)nc1O 2325868946 RELRWERLIVWUEG-KBPBESRZSA-N 352.394 1.620 0 50 FDAA Cc1ccnn1[C@H](C)C(=O)N[C@@H]1C[C@H]1NC(=O)C1(c2cccs2)CC1 2325870487 ZJDWMSRXBVDWGT-MGPQQGTHSA-N 358.467 1.919 0 50 FDAA CC(C)[C@@H](O)c1nnc2ccc(C(=O)NCc3cnc4cnccn34)cn12 2356137210 SHCJSJICVWPXMA-MRXNPFEDSA-N 365.397 1.391 0 50 FDAA O=C(c1cncc(O)c1)N1CCC[C@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356169480 RTQGZEJNKMGCAB-FTRWYGJKSA-N 373.453 1.688 0 50 FDAA O=C(c1cccc2c1COC2)N1CCc2nc(C3CCOCC3)nn2CC1 2356170955 FYDIFKNLLRNEKH-UHFFFAOYSA-N 368.437 1.901 0 50 FDAA COC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 20051455 VCRMVQDTPGLOTR-QGZVFWFLSA-N 359.426 1.962 0 50 FDAA Nc1nc(N2CCOCC2)[nH]c(=O)c1C(=S)Nc1ccccc1Cl 67630532 RGJACIQJGBEMMV-UHFFFAOYSA-N 365.846 1.630 0 50 FDAA CN1CCC2(CC1)CN(C(=O)COCC(F)(F)C(F)F)CCN2C 67803690 TYKMDNFIGRUXKX-UHFFFAOYSA-N 355.376 1.142 0 50 FDAA CCc1n[nH]c(C(=O)N2CCC(Cc3nn(C)c(=O)n3CC)CC2)c1C 67758415 MRZMPPNPTJHHPD-UHFFFAOYSA-N 360.462 1.291 0 50 FDAA Cc1nc(N(C)C)nc(N2CCC[C@@H](Cn3cc(CCO)nn3)C2)c1C 23398470 CXHZCTNPCUKBDQ-OAHLLOKOSA-N 359.478 1.202 0 50 FDAA COCCc1noc(CNc2nc(-c3cccnc3)nc3c2CCNC3)n1 67690550 HJNRSHROTOFTHS-UHFFFAOYSA-N 367.413 1.368 0 50 FDAA CCCS(=O)(=O)N1CCN(c2cc(N3CCCCC3)nc(C)n2)CC1 33318398 NMVGPXHIBAMNGG-UHFFFAOYSA-N 367.519 1.637 0 50 FDAA CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)[C@@]12C(=O)Nc1ccccc12 850202 CTELBAYGABVRDK-IBGZPJMESA-N 372.377 1.477 0 50 FDAA biogenic O=C(C[C@H]1C(=O)NCCN1CC1CCCCC1)NCCc1cccnc1 11936803 ROQSMCAFRJKLDB-SFHVURJKSA-N 358.486 1.511 0 50 FDAA Cn1c(SCC(=O)Nc2ccc(F)cc2F)nc2c(=O)[nH]cnc21 12427855 HMYGZUCBFDTOAV-UHFFFAOYSA-N 351.338 1.666 0 50 FDAA COCC(=O)N1CCCN(Cc2cc(OC)ccc2-n2cccn2)CC1 215140019 FLDJEPBWHVTVAI-UHFFFAOYSA-N 358.442 1.562 0 50 FDAA CS(=O)(=O)c1ccc(C2(C(=O)NC[C@@H]3COCCO3)CCC2)cc1 219619193 XZCNMXWZQNTYNY-CQSZACIVSA-N 353.440 1.043 0 50 FDAA COCC[C@@H]1COCCN1C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 331857511 XHSWTEGTOMBAKZ-RTBURBONSA-N 374.481 1.732 0 50 FDAA CCN(Cc1cn(C)nn1)C(=O)c1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 331879144 PAYFLYLSAPPXSX-OKILXGFUSA-N 358.446 1.486 0 50 FDAA O=S(=O)(NC[C@@]1(O)CCCNCC1)c1ccc(-c2ccccn2)s1 72128222 NLGBHIFKNDWIDF-MRXNPFEDSA-N 367.496 1.593 0 50 FDAA COC[C@@H]1[C@@H](NC(=O)Cc2cc3c(cc2Cl)OCCO3)[C@@H]2CCO[C@@H]21 219247277 ASUFPJBZRVZLBS-CMKMFDCUSA-N 367.829 1.820 0 50 FDAA Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H](CO)Cc3cccnc3)cn2)n1 253431646 HSFDAOOCSULNAX-KRWDZBQOSA-N 365.437 1.860 0 50 FDAA CCCc1nc(C)cc(N2CCN[C@@H](C(=O)NCc3cccnc3)C2)n1 72171568 MFUJHOBHNFOJBR-MRXNPFEDSA-N 354.458 1.227 0 50 FDAA Cc1nc2c(c(N(C)C)n1)CCN(C(=O)CC[C@@H](C)N1CCOCC1)C2 72166377 LYVQVVCQRNQULI-CQSZACIVSA-N 361.490 1.237 0 50 FDAA CCn1nc(C)cc1C(=O)Nc1ccc(N2CCC[C@@H](C(N)=O)C2)nc1 154175969 NSOUPQNGQFGJKY-CYBMUJFWSA-N 356.430 1.560 0 50 FDAA CN(C)CCN1C(=O)CC[C@H]1CCNC(=O)c1cccc2c1ccn2C 215295168 OBSWTTKJIJPBHF-HNNXBMFYSA-N 356.470 1.851 0 50 FDAA CO[C@@H](C)c1nc(=NC2CCC(N3CCCS3(=O)=O)CC2)s[nH]1 367169350 DFCQMWQOLAZKKB-UNXYVOJBSA-N 360.505 1.426 0 50 FDAA Cc1nc(C[C@H]2CCCN(C(=O)c3cn(C)nc3[C@H]3CCCNC3)C2)no1 333462591 GTPZOIJDDXDYNZ-CABCVRRESA-N 372.473 1.673 0 50 FDAA COCCNc1nc(CC2CC2)nc2c1CCN([C@H]1CCCNC1)CC2 72440283 ISKSTFWHOVJTHH-INIZCTEOSA-N 359.518 1.640 0 50 FDAA O=C(O)[C@H]1CN(C(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)CCO1 238130324 OTVYFQPZBKPDAK-GFCCVEGCSA-N 369.299 1.817 0 50 FDAA Cn1cc([C@@H]2CCCN2C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)cn1 173188560 OQRVMFTVDMNGPN-GJZGRUSLSA-N 371.445 1.196 0 50 FDAA Cc1noc(C)c1CN1CCN(C(=O)[C@@H]2CCCc3nn(C)cc32)CC1 375624873 MGSWKKMHGBNXQX-OAHLLOKOSA-N 357.458 1.789 0 50 FDAA COc1ccc(NC(=O)NOCc2cccnc2)cc1-n1nnnc1C 378528304 IGJFHUOCZGMOAU-UHFFFAOYSA-N 355.358 1.628 0 50 FDAA Cc1c(Cl)cccc1N1CCCN(C(=O)CN(C)S(C)(=O)=O)CC1 284220490 VCYMGHJHEWWJED-UHFFFAOYSA-N 373.906 1.579 0 50 FDAA CCc1n[nH]c(SCC(=O)N2CCC[C@H](CN3CCOCC3)C2)n1 222838380 LRMNJJAJFDDYFO-CYBMUJFWSA-N 353.492 1.030 0 50 FDAA Nc1nc2c(c(C(=O)N[C@H]3CC(=O)N(Cc4ccccc4)C3)n1)CCCC2 222469062 DWVOQWFBAAJAJG-AWEZNQCLSA-N 365.437 1.469 0 50 FDAA COCc1nc(NCCCn2nnc3ccccc32)cc([C@H]2CCOC2)n1 426361655 GTIGYIWWHJFFSZ-AWEZNQCLSA-N 368.441 2.374 0 50 FDAA O=C(CCN1Cc2ccccc2C1=O)NCc1cc2n(n1)CCCNC2 82087226 FRIDEUAJECSFCP-UHFFFAOYSA-N 353.426 1.039 0 50 FDAA CNc1ncc(CN(C)C(=O)CCc2nc3ccccc3[nH]c2=O)cn1 91603655 JXNFKBCQEQYPPL-UHFFFAOYSA-N 352.398 1.346 0 50 FDAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(C(=O)Cc1ccccc1Cl)CC2 95379400 BZFUGBFJKDDXQC-ZDUSSCGKSA-N 364.829 1.807 0 50 FDAA CCCn1ncc(CN2C[C@@H]3CC[C@H](C2)N(CC(=O)N(C)C)C3=O)c1C 91819485 VTYNAZQOJMDSQL-DOTOQJQBSA-N 361.490 1.113 0 50 FDAA Cc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@@H]1N2C(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 239347276 MPMGYYYSXBITBB-ZHIIESDUSA-N 353.374 1.826 0 50 FDAA biogenic Cc1cc(=O)n(CC(=O)N2CCC3(CC2)CC(=O)N(CC(C)C)C3)nc1C 91550387 WEJKCGYIISZQAT-UHFFFAOYSA-N 374.485 1.357 0 50 FDAA CCCN(C(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1)[C@H]1CCNC1 178932506 PWEIIVXMPLAQJK-INIZCTEOSA-N 367.515 1.768 0 50 FDAA Cc1nc(-c2cccnc2)ncc1C(=O)N1CCC2(CC1)OCCC[C@@H]2O 97711801 DQVWKCYGRJAVJT-KRWDZBQOSA-N 368.437 1.993 0 50 FDAA 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O=C(N1CCN(c2cccnc2)CC1)[C@]12CNC[C@H]1CN(C1CCCC1)C2 1565530807 JRGAXNGCVMCFMU-UWJYYQICSA-N 369.513 1.194 0 50 FDAA Cc1ncc(CC(=O)N2C[C@H](c3ccccc3C)[C@@H](C(=O)O)C2)c(O)n1 1565530815 WVJQUJXDWGIDSK-CVEARBPZSA-N 355.394 1.668 0 50 FDAA CCOc1cccc(C(=O)N[C@H]2CCN(Cc3cscn3)C[C@@H]2O)c1 1565516500 DEZPURWIRYBINK-IRXDYDNUSA-N 361.467 1.907 0 50 FDAA O=C(O)C[C@H]1CN(C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)CCO1 268945370 GRYAWDBKBKOVFU-NSHDSACASA-N 367.789 1.185 0 50 FDAA O=C1CN(CCNS(=O)(=O)c2ccccc2)CCN1c1cccs1 186098515 ZDAZQJMETGDIEJ-UHFFFAOYSA-N 365.480 1.375 0 50 FDAA CO[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC[C@@H]1C 170603466 FFEIKBJUBCLCAT-WFASDCNBSA-N 358.435 1.378 0 50 FDAA Cn1ccc(N2CCC[C@@H](NC(=O)N[C@H](c3nccs3)C3CC3)C2=O)n1 170646839 XQEDSUIQXUGYNO-OCCSQVGLSA-N 374.470 1.823 0 50 FDAA CCn1nccc1N1CCC[C@H](NS(=O)(=O)/C=C/c2ccccc2)C1=O 189157396 CZBJLUUFQLOJAW-UKYUDJEDSA-N 374.466 1.989 0 50 FDAA CCC[C@@]1(C)C(=O)NCCN1C(=O)c1cc(N2C[C@H](C)O[C@H](C)C2)ccn1 192620354 NVHFQPVNDOAAGN-MDOVXXIYSA-N 374.485 1.826 0 50 FDAA O=C1CCOC2(CCN(Cc3cc4c(cc3Cl)OCO4)CC2)CN1 1704337187 XWKZCUNQOOFRLG-UHFFFAOYSA-N 352.818 1.940 0 50 FDAA CN1CC2(CCN(Cc3cc4c(cc3Cl)OCO4)CC2)OCC1=O 1772812934 SPFGWKQYQPEZIK-UHFFFAOYSA-N 352.818 1.892 0 50 FDAA COCCNC(=O)c1cn([C@H]2CCCN(C(=O)c3ccccc3C)C2)nn1 12130083 BTICGVDUSULHOX-HNNXBMFYSA-N 371.441 1.440 0 50 FDAA CSc1nnc(CNC(=O)Cn2nccc2C)n1-c1ccc(F)cc1 15007454 AIOUDXWXBIJPPS-UHFFFAOYSA-N 360.418 1.950 0 50 FDAA CCOC(=O)[C@H]1CCCN(C(=O)c2cn(CCc3ccccc3)nn2)C1 15073816 IIZIXHIFZWCZMC-INIZCTEOSA-N 356.426 1.936 0 50 FDAA CC(C)C(=O)N[C@H](N[C@H]1CCS(=O)(=O)C1)C(Cl)(Cl)Cl 19228841 JEWGGWROHZVMHH-CBAPKCEASA-N 351.683 1.232 0 50 FDAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)NCCN1CCOCC1 19863557 DUNGHTBUPZADNI-UHFFFAOYSA-N 356.488 1.738 0 50 FDAA CS(=O)(=O)c1cnc(N[C@H]2C[C@H](Cn3cccn3)C[C@@H]2O)c(Cl)c1 1857531415 RMSUAVYEQPGYKA-BPNCWPANSA-N 370.862 1.587 0 50 FDAA Cc1[nH]c(-c2ccc(F)cc2)nc1C(=O)N1CC[C@H]2OCC(=O)N[C@H]2C1 1857678700 LFOPHJZWNKMQLO-UONOGXRCSA-N 358.373 1.254 0 50 FDAA COC(=O)c1cnc(N2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)cn1 1857691224 BDQZTCQWHQYMQB-IBGZPJMESA-N 368.393 1.517 0 50 FDAA COc1ccc(CN2CC[C@@]34OCCN3C(=O)C[C@@H]24)cc1Cn1cccn1 1857729711 IROLLDDDAVBKIF-QUCCMNQESA-N 368.437 1.473 0 50 FDAA COCCC(=O)NC[C@H]1[C@H]2CN(C3Cc4ccccc4C3)C[C@]23CC[C@H]1O3 1857738321 BYXSHVMFCLLLQJ-GPQLQYNLSA-N 370.493 1.786 0 50 FDAA CCOc1ccc(S(=O)(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)cn1 328628701 NYGDXXUXLVBEIK-DZGCQCFKSA-N 352.416 1.022 0 50 FDAA O=C(c1cccn2cnnc12)N1CCO[C@@H](CO)[C@@H]1c1ccccc1Cl 1875245790 RIXLGZOKUGUNDR-HOTGVXAUSA-N 372.812 1.957 0 50 FDAA CCn1nccc1CN1CCC[C@H](n2ncc(N3CCOCC3)cc2=O)C1 328605811 PHAFWRIQYFJKIH-KRWDZBQOSA-N 372.473 1.133 0 50 FDAA Cc1ccc(CN2C[C@H](C(=O)NCc3ccc(C(=O)O)o3)CC2=O)cc1 237730114 YZUABRQYTDJWDS-CQSZACIVSA-N 356.378 1.951 0 50 FDAA CS(=O)(=O)N1CCC[C@H](NC(=O)Nc2cc(-c3ccccc3)on2)C1 266035080 SQORYWJJTKFCNU-ZDUSSCGKSA-N 364.427 1.887 0 50 FDAA Cn1ccnc(N2CCC[C@@H](Nc3nccc(C(F)(F)F)n3)C2)c1=O 266437440 VLHALYPTKVTZEB-SNVBAGLBSA-N 354.336 1.670 0 50 FDAA O=C(c1ccn2nccc2n1)N1CCC(c2nnc3n2CCCC3)CC1 907491893 OTGOTYWDALGQHT-UHFFFAOYSA-N 351.414 1.677 0 50 FDAA COc1cc2c(cc1OC)CN(CC(=O)N1CCOC[C@@H](C3CC3)C1)CC2 1875296590 FELHEAZACGAIEL-SFHVURJKSA-N 374.481 1.947 0 50 FDAA CN1CCC[C@@H](C(=O)N(C)CCNC(=O)c2cc3cc(O)ccc3[nH]2)C1 1875346745 ARFQEHQFJWYINY-CYBMUJFWSA-N 358.442 1.404 0 50 FDAA Cc1cccnc1C(=O)NCC1[C@@H]2CN(C(=O)[C@]3(C)CCC(=O)C3)C[C@@H]12 1875332077 LJVUZHVFRWINHZ-TWOQFEAHSA-N 355.438 1.584 0 50 FDAA CCC[C@@H](NC(=O)C1CN(C(=O)OCc2ccccc2)C1)c1nn[nH]n1 1875309108 RLQIESVXYUBVRQ-CQSZACIVSA-N 358.402 1.426 0 50 FDAA CON1CCC(CC(=O)NS(=O)(=O)c2ccc(Cl)s2)CC1 1875312392 AOKAXAORVSRHMU-UHFFFAOYSA-N 352.865 1.870 0 50 FDAA Cc1nc(C(=O)NCc2cnn(C)c2C)nc(N2CC[C@@H](N(C)C)C2)c1C 1875403183 RATWNQZCMHGJAJ-MRXNPFEDSA-N 371.489 1.206 0 50 FDAA COC(=O)C1=NO[C@]2(CC(=O)N(c3ccc(Br)cc3)C2=O)C1 4744993 DVXQNPUHTCTIEB-AWEZNQCLSA-N 367.155 1.401 0 50 FDAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3cnc4ccccn4c3=O)C[C@H]2C1 2100556065 CEHTUASCFBDLKT-GEEKYZPCSA-N 354.454 1.885 0 50 FDAA CCN1CC[C@H](C(=O)N2CCC23CCN(C)CC3)[C@@H](c2ccnn2C)C1 2325756200 KJYHWOKHIHRFJD-IRXDYDNUSA-N 359.518 1.542 0 50 FDAA C=CC(=O)NCC(=O)N1CCCC[C@@H]1c1ncc(Br)cn1 2325888692 QYFSCUFMUNWTHZ-LLVKDONJSA-N 353.220 1.595 0 50 FDAA COc1ccc(N(C)C(=O)[C@@H]2CO[C@H](CNC(=O)c3ccccn3)C2)cc1 2332237563 BHSNCYXECBILQO-YOEHRIQHSA-N 369.421 1.888 0 50 FDAA O=C1CC[C@@H](Nc2ncnc3c2cnn3-c2cccc(Cl)c2)C(=O)N1 1857797818 XBEKLUZMDDLXRF-GFCCVEGCSA-N 356.773 1.686 0 50 FDAA O=C(N[C@H]1CCSC1=O)c1ccc(C(=O)N[C@H]2CCSC2=O)cc1 753216 FCATUVTYDNSUCX-RYUDHWBXSA-N 364.448 1.210 0 50 FDAA CCN(CC)CCNC(=O)CN1Cc2c(cnn2-c2ccccc2)C1=O 2075229 QXESHSHWLBWKIX-UHFFFAOYSA-N 355.442 1.286 0 50 FDAA COCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 2899105 JCQYMAMRZDYBAU-UHFFFAOYSA-N 362.451 1.640 0 50 FDAA COc1ccc2c(c1)CCOC21CCN(C[C@]23CNC[C@H]2COC3)CC1 2356156093 QWJZKISBNADAEV-PXNSSMCTSA-N 358.482 1.795 0 50 FDAA O=C([C@H]1Cc2ccccc2CN1)N1C[C@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1C2 102576540 UWYFVUQNNFWOKN-AXUOBQJMSA-N 353.466 1.560 0 50 FDAA O=C(C[C@@H](NCCCN1CCOCC1)C(=O)O)Nc1cccc(Cl)c1 20352186 HIYRJCVSSJVQLM-OAHLLOKOSA-N 369.849 1.434 0 50 FDAA Cc1cccn2cc(CNC(=O)c3cn(C[C@H]4CCCNC4)nn3)nc12 65426685 OLGFVBMFVYBZTC-AWEZNQCLSA-N 353.430 1.164 0 50 FDAA Cc1nnc(NC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)s1 101682857 PSLRQGOSJPVRSK-FIQHERPVSA-N 361.427 1.165 0 50 FDAA NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCO1 17074536 VHTWKYFZESMKIP-NSHDSACASA-N 362.411 1.430 0 50 FDAA O=C(N[C@@H]1CCCN(c2ncccn2)C1)[C@H]1CCCN(CC(F)(F)F)C1 249743848 LFGYJZXVUKXUOE-UONOGXRCSA-N 371.407 1.836 0 50 FDAA COc1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1C(=O)NC(C)C 67601958 BFKBZUPXKOCPPC-UHFFFAOYSA-N 369.487 1.206 0 50 FDAA Cn1cncc1[C@H]1C[C@H](NS(=O)(=O)c2cc(Cl)cnc2N)CCO1 328617015 CHBAXPACISEMET-ZYHUDNBSSA-N 371.850 1.249 0 50 FDAA O=C(c1ccncc1)N1CCC[C@H](c2cc(N3CCOCC3)ncn2)C1 72431203 SCMNRPAPGZIJIQ-INIZCTEOSA-N 353.426 1.728 0 50 FDAA Cc1cc(C)nc(N2CCC(c3nnc(CN(C)CCO)n3C)CC2)n1 77453824 LQQTYJLVAXBYFO-UHFFFAOYSA-N 359.478 1.030 0 50 FDAA CCn1cnnc1CN(C)Cc1cc2n(n1)CCCN(C[C@@H]1CCCO1)C2 72141700 BJBVHSWTUQSSPT-SFHVURJKSA-N 373.505 1.511 0 50 FDAA CC(=O)N[C@@H]1CCN(Cc2cn(C)nc2-c2ccc3c(c2)OCCO3)C1 72434381 WYYINAPVRSSTDT-MRXNPFEDSA-N 356.426 1.569 0 50 FDAA CN1CC2(CCN(S(=O)(=O)c3ccc(-c4ccn[nH]4)o3)CC2)CC1=O 77344031 GBCWTYMMZCLUPK-UHFFFAOYSA-N 364.427 1.303 0 50 FDAA COc1ccccc1[C@@H](NC(=O)[C@H]1C[C@@H](O)CN1C(C)=O)c1ccccn1 476539752 IFUARIGIFVNJKH-LSBZLQRGSA-N 369.421 1.278 0 50 FDAA O=C(Cn1cc(I)cn1)NCCc1ccccc1 4745025 RLHNMKIFKNBILS-UHFFFAOYSA-N 355.179 1.847 0 50 FDAA Cc1ccc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cn1 71439581 LYSIVWUXIKHFRY-QGZVFWFLSA-N 370.497 1.985 0 50 FDAA CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)N1C[C@H](C)N[C@H](C)C1 153581395 TWZMQYRTDGKJTJ-HZSPNIEDSA-N 368.503 1.189 0 50 FDAA NS(=O)(=O)c1cc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)cs1 364759447 MKOFYMHZRBVWCS-GDPRMGEGSA-N 358.441 1.253 0 50 FDAA CN1CCC[C@H](N2CCN(C(=O)[C@@H]3CCCN3Cc3ccccc3)CC2)C1 363539703 NSVRWKYHQSZCQL-SFTDATJTSA-N 370.541 1.889 0 50 FDAA O=C(NC1CC1)[C@@H]1CCCN(C2CCN(C(=O)c3ccccn3)CC2)C1 71751675 KXQIDLQGPNXKTO-OAHLLOKOSA-N 356.470 1.677 0 50 FDAA COC1(CNC(=O)N2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)CCC1 376918350 NUQJODPMGTZKME-GJZGRUSLSA-N 369.462 1.635 0 50 FDAA COCCn1cnnc1CCNC(=O)Cc1nc2ccc(Cl)cc2[nH]1 215451052 LXRAPDFYRSOSGT-UHFFFAOYSA-N 362.821 1.356 0 50 FDAA O=C([C@H](O)c1ccccc1)N1CCC2(CC1)NC(=O)C1(CCCCC1)N2 377131148 DXTRVKYAKCJQIF-MRXNPFEDSA-N 357.454 1.461 0 50 FDAA O=C(c1cnn2cc(CCO)cnc12)N1CCO[C@H](c2ccc(F)cc2)C1 71738716 MNRRBABYIFPFOI-KRWDZBQOSA-N 370.384 1.617 0 50 FDAA CN1CC2(CCN(C(=O)c3cc(-c4ccncc4)n[nH]3)CC2)C[C@@H]1C(=O)O 72151530 SFOFWWWWVGGMJE-MRXNPFEDSA-N 369.425 1.483 0 50 FDAA Cc1cnc(CNc2ncc(S(C)(=O)=O)c([C@@H]3CCCNC3)n2)cn1 72431450 CDHSACRNZMITSL-GFCCVEGCSA-N 362.459 1.058 0 50 FDAA CNC(=O)c1ccc(N2CCC[C@@H](Cc3nnc4ccccn34)C2)nn1 375140136 HMGWPAFKYNUTCD-ZDUSSCGKSA-N 351.414 1.338 0 50 FDAA Cc1nc(-c2ccco2)ccc1C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 262533907 PTGGFFXAABNCCV-OAHLLOKOSA-N 368.437 1.686 0 50 FDAA CC(C)Cn1ncnc1CN1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 378546404 DTFUINPNAJXUKT-CQSZACIVSA-N 372.433 1.291 0 50 FDAA O=C(Cn1c(=O)oc2ccccc21)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 219331367 YDKLOSHRIQPABU-ZDUSSCGKSA-N 369.352 1.655 0 50 FDAA CC(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)Cc2ncc[nH]2)C1 71763724 KGGGDJDENTUDPS-UHFFFAOYSA-N 363.425 1.803 0 50 FDAA Cn1cnnc1CCC(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 72434810 YQKJWHDMPMLCMU-UHFFFAOYSA-N 357.502 1.861 0 50 FDAA CNS(=O)(=O)c1ccc(CN2CCC[C@H](N3CCCC3=O)C2)cc1 71753911 QLGKDUNBJVBMEE-HNNXBMFYSA-N 351.472 1.182 0 50 FDAA Cn1nccc1[C@H]1[C@H](CNc2nccn3cnnc23)CCCN1C1CC1 284975469 SADVQLPRMPCSSA-XJKSGUPXSA-N 352.446 1.885 0 50 FDAA Nc1nc(C2CC(N)C2)cc(N2CCN(CCc3ccccc3)C(=O)C2)n1 222485592 ZYQBAQUKGSXFAY-UHFFFAOYSA-N 366.469 1.155 0 50 FDAA Cc1n[nH]c(C)c1CCC(=O)N[C@@H]1COCC[C@H]1OCc1ccccn1 220484338 AFNUWDXMPSZWIX-QZTJIDSGSA-N 358.442 1.845 0 50 FDAA 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0 50 FDAA O=C(CCCN1CCCCC1)NCc1csc(N2CCOCC2)n1 95357865 RBWLUNNNBQHUJC-UHFFFAOYSA-N 352.504 1.862 0 50 FDAA CN(C)CCCn1ccnc1[C@H]1CCCN(S(=O)(=O)N2CCCC2)C1 95361713 ODAFEKBWCRBDGT-INIZCTEOSA-N 369.535 1.355 0 50 FDAA O=C(O)CC[C@@H]1CN(c2ncnc3[nH]ccc23)CC[C@@H]1N1CCOCC1 91434413 MGPCCMPLFHZJPV-HIFRSBDPSA-N 359.430 1.350 0 50 FDAA Cc1nn(CC(=O)N[C@@H]2CCN(C(=O)c3ccccc3)C[C@H]2O)c(C)c1C 426596441 FZACOWJCWLYKOI-QZTJIDSGSA-N 370.453 1.200 0 50 FDAA CN1C(=O)[C@H](c2ccccc2)CC12CCN(S(=O)(=O)N(C)C)CC2 97797696 ONKBZWXWJVNFKT-HNNXBMFYSA-N 351.472 1.273 0 50 FDAA COCc1cc(N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)ncn1 95353974 ZPPSMSKGZTXEEC-SWLSCSKDSA-N 359.455 1.707 0 50 FDAA Cc1nn(CC(=O)N2CCC3(CC2)CN(C)C(=O)O3)c(=O)c2ccccc12 91434513 TUSCJKCKVBDFJX-UHFFFAOYSA-N 370.409 1.148 0 50 FDAA O=S(=O)(CCCCS(=O)(=O)N1CCCC1)Nc1ccc(F)cc1 294742468 CKJMHCBGAUHHIO-UHFFFAOYSA-N 364.464 1.773 0 50 FDAA Cc1ccc2nc(C(=O)N3CCC4(CC3)C(=O)NCCCN4C)cn2c1 91738218 CFPGTYGIRVJAQW-UHFFFAOYSA-N 355.442 1.069 0 50 FDAA 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FDAA Cc1nc(N(C)C)ncc1C(=O)N[C@@H]1CCCN(Cc2cccnc2)C1 299793683 JIXQUWRIPSOYCX-MRXNPFEDSA-N 354.458 1.640 0 50 FDAA Cn1cc(CN(C(=O)C2CCN(C(=O)[C@H]3CCCO3)CC2)C2CC2)cn1 299778135 PZPSYOKVQLXJOB-QGZVFWFLSA-N 360.458 1.329 0 50 FDAA C[C@@H](NC(=O)CCC(=O)Nc1nncs1)c1ccc(-n2cncn2)cc1 827994420 KWWKCACJTZVVAF-LLVKDONJSA-N 371.426 1.715 0 50 FDAA CSCC[C@H](C(=O)N=c1cc[nH]cc1)n1c(O)nc2ccccc2c1=O 888090064 ZJNBTMKAYQVLBH-OAHLLOKOSA-N 370.434 1.852 0 50 FDAA O=C(O)c1ccc(CNC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)cc1 269213100 WWUQQNSCBXTGIU-QGZVFWFLSA-N 368.389 1.429 0 50 FDAA Cc1ccc(CCS(=O)(=O)N[C@H]2CS(=O)(=O)c3ccccc32)cc1 409487751 VVTSQUKQOAHXGC-INIZCTEOSA-N 365.476 1.986 0 50 FDAA CC(=O)N1CCc2c(ncn(CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)c2=O)C1 275534221 MCVGDSAZJWCAQN-YJBOKZPZSA-N 372.469 1.329 0 50 FDAA C[C@H]1CN(S(=O)(=O)Cc2noc3ccccc23)CCN1CC(C)(C)O 188798974 MDVAJDGDJRQMIB-ZDUSSCGKSA-N 367.471 1.435 0 50 FDAA O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2nn[nH]c2-c2ccccc2)C1 189143304 WCKWPUJYCZMPNG-OAHLLOKOSA-N 353.426 1.850 0 50 FDAA COc1ccc(S(=O)(=O)N(C)CCN2C[C@H](C)O[C@H](C)C2)cc1F 194021458 KNGZVQYKWSFZDE-BETUJISGSA-N 360.451 1.564 0 50 FDAA CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCC23CCN(C)CC3)c1 742186122 UIYAIFKVDPADQV-UHFFFAOYSA-N 369.462 1.434 0 50 FDAA C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1ccc2cccnn12 777860234 HATYTYZYFRRGNQ-INIZCTEOSA-N 364.453 1.670 0 50 FDAA CN(CCN1CCCCCC1)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 1529192503 WKYDVYMHOMDIQP-MOPGFXCFSA-N 359.470 1.577 0 50 FDAA COC1CCN(C(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)CC1 1529195931 RIJJJVFBMNZYCN-MSOLQXFVSA-N 359.426 1.150 0 50 FDAA CCc1cc(NCc2nnnn2-c2ccccc2)nc(N2CCOCC2)n1 1704342880 FPXLUCYXPIJQQQ-UHFFFAOYSA-N 366.429 1.463 0 50 FDAA Cc1ccc(CN(C)CC(=O)N2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)cc1 1704349734 FJSCPYRNANOGBO-IEBWSBKVSA-N 356.470 1.520 0 50 FDAA CN1CCN([C@H]2CCN(Cc3cccn3-c3ccccn3)C[C@@H]2O)CC1 212379601 SDJAEQQGRJGEGH-OALUTQOASA-N 355.486 1.055 0 50 FDAA O=C(O)[C@H]1CN(C(=O)CN2CCCCCC2)C[C@@H]1c1ccc2c(c1)OCO2 222422905 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1.914 0 50 FDAA CN1CCn2nc(C(=O)N3CCC(OCc4cccnc4)CC3)cc2C1=O 1857671763 OZBJFODWYIBGCC-UHFFFAOYSA-N 369.425 1.185 0 50 FDAA Cc1nc([C@@H](N)C(C)C)n(CC(=O)NCCCn2ncc3ccccc32)n1 1857691821 FAIXPATTWIAIAB-SFHVURJKSA-N 369.473 1.799 0 50 FDAA CN(C)c1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)Cc3cccnc3)C1)CC2 1857710904 ACFNNGYBDHXVCE-FQEVSTJZSA-N 367.453 1.692 0 50 FDAA Cc1nc(CN2C[C@@H]3[C@H](CNS(C)(=O)=O)[C@H]4CC[C@]3(C2)O4)sc1C 1857712453 BFVQLKYPLYYIDK-DSJMHWKBSA-N 371.528 1.289 0 50 FDAA Cc1cc(C)n(CC2(CNC(=O)[C@H]3CC(=O)N(c4nccs4)C3)CC2)n1 1857713153 ZAZUCBBPVKZWGU-AWEZNQCLSA-N 373.482 1.906 0 50 FDAA COCCn1nnc([C@@H]2CN(Cc3ccnc4ccccc34)CCO2)n1 1857721904 LKCIKNVJDBHSQD-KRWDZBQOSA-N 354.414 1.441 0 50 FDAA Cc1cc(C)n(CCC(=O)N2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)n1 1857739120 DENSXXPTJWJMFP-FCEWJHQRSA-N 360.458 1.474 0 50 FDAA Cc1cc(C[C@@H]2CN(C(=O)c3[nH]c4c(c3C)C(=O)CCC4)C[C@@H]2O)on1 1875243510 JUJLGIRRUBBKLL-WBMJQRKESA-N 357.410 1.814 0 50 FDAA CCc1noc([C@@H](C)N2CCN(c3ccccc3S(C)(=O)=O)CC2)n1 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COc1ccc(CN2CCN(C(=O)c3ccc4c(c3)C[C@H](C)O4)CC2)nn1 1875329882 ICVWVDJEXKWLIR-AWEZNQCLSA-N 368.437 1.767 0 50 FDAA C=CC(=O)N1CCC(C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)CC1 1875365765 WZICYPMEYRZKLI-UHFFFAOYSA-N 359.426 1.517 0 50 FDAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1ccnc(OC2CCC2)c1 1875403316 SPOHTRQWWAILAJ-IAOVAPTHSA-N 356.426 1.779 0 50 FDAA O=C(Cc1ccccc1O[C@@H]1CCOC1)N1CC(c2cc(CO)on2)C1 886086463 VFKBWTQKGKSLGR-OAHLLOKOSA-N 358.394 1.503 0 50 FDAA Cn1nccc1[C@@H]1c2[nH]cnc2CCN1C(=O)CCc1ccccc1CN 2325796011 LUXPKLBIWBSGCU-HXUWFJFHSA-N 364.453 1.709 0 50 FDAA COc1cccc2c1CC[C@@]2(CO)NC(=O)c1nc(-c2cnccn2)no1 2325827271 AXKGWCPYEPQCFO-SFHVURJKSA-N 367.365 1.099 0 50 FDAA COc1ccc2occ(C(=O)N3C[C@@H]4COCC[C@]4(NC(C)=O)C3)c2c1 2325849466 QBXCBIWCOPYTGN-YJYMSZOUSA-N 358.394 1.809 0 50 FDAA O=C(O)COc1ccc(S(=O)(=O)c2ccc(OCC(=O)O)cc2)cc1 754489 MWTGMPRNUBZHCH-UHFFFAOYSA-N 366.347 1.446 0 50 FDAA O=C([C@@H]1CCCO1)N1CCN(C(=S)NCc2ccc(F)cc2)CC1 1120083 DOYGHAJHJOULBY-HNNXBMFYSA-N 351.447 1.523 0 50 FDAA 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374.391 1.606 0 50 FDAA Cn1nc(-c2cccnc2)cc1NC(=O)[C@@H](c1ccccc1)n1cnnn1 2356167541 ROALSWXBSPPBEZ-QGZVFWFLSA-N 360.381 1.697 0 50 FDAA O=C(O)Cc1csc(NC(=O)CSc2cccc(C(=O)O)n2)n1 4336728 UNXKWVOZOGZUGD-UHFFFAOYSA-N 353.381 1.594 0 50 FDAA COC(=O)[C@@H](CCSC)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 4762573 ACKAYWFFHOAUBO-GXTWGEPZSA-N 368.455 1.712 0 50 FDAA CN(C)CCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 10111676 YXHNJYUDQRMYQM-UHFFFAOYSA-N 359.879 1.416 0 50 FDAA CCOCCc1nnc(NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)s1 59745420 XKWYTGXDISGZPQ-LLVKDONJSA-N 355.464 1.449 0 50 FDAA O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NC[C@@H]1C[C@H]2C=C[C@H]1C2 101682946 CGORHGOHSSRIQX-BZSNNMDCSA-N 368.481 1.839 0 50 FDAA COC[C@@H]1[C@H](NC(=O)CCn2c(=O)oc3ccc(C)cc32)[C@H]2CCO[C@@H]12 1074606180 JEZHATPXORTZTD-XHSVMWQWSA-N 360.410 1.459 0 50 FDAA COc1nc(C)cc(C)c1CNC(=O)c1cn(C[C@H]2CCCNC2)nn1 67802884 ZIXSPNCSVCPICB-AWEZNQCLSA-N 358.446 1.228 0 50 FDAA Cc1ccc(C2(O)CCN(C(=O)CC[C@@H](C)N3CCN(C)CC3)CC2)nc1 67741300 RUAMSKTXTHDTQG-GOSISDBHSA-N 374.529 1.616 0 50 FDAA O=C(NCCc1cc(=O)[nH]cn1)[C@H]1CCCCN1C(=O)c1ccccc1 23214091 HZMNGQXIVORRAB-MRXNPFEDSA-N 354.410 1.124 0 50 FDAA CCCNS(=O)(=O)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 331111771 BWWSQHQYEKSJET-LBPRGKRZSA-N 365.377 1.423 0 50 FDAA CC[C@]1(C2CCNCC2)NC(=O)N(Cc2cc(-c3cccnc3)no2)C1=O 67713118 MHQOEUSCBFPHDV-LJQANCHMSA-N 369.425 1.937 0 50 FDAA Cn1ccnc1-c1ccc(NC[C@H](c2ccccn2)N2CCOCC2)nn1 67821288 UFMCJQAMDLRNQO-QGZVFWFLSA-N 365.441 1.758 0 50 FDAA CCc1cc(NCc2nc(-c3ccccn3)no2)nc(N2CCOCC2)n1 65461364 BHFJPJZDBRVBHT-UHFFFAOYSA-N 367.413 1.933 0 50 FDAA CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CCOC2(CCCCCC2)C1 120100549 XVTGSVFIKSUHGH-HUUCEWRRSA-N 360.520 1.902 0 50 FDAA O=C([C@@H]1CCCCn2nnnc21)N1CCc2[nH]nc(-c3ccccc3)c2C1 67447093 UJRGVYATGCBANW-CQSZACIVSA-N 363.425 1.916 0 50 FDAA O=C(CCN1C[C@H]2C[C@H](O)[C@@H](O)C[C@H]2C1)NCc1ccccc1Cl 72146999 FQEBAXOZQWVNRC-FSDCSDTHSA-N 352.862 1.410 0 50 FDAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NCC(C)C)c1OC 72145941 JJXLRSWPSFDXRE-OAHLLOKOSA-N 363.458 1.167 0 50 FDAA CCc1[nH]c2ccc(CNS(=O)(=O)C3=CCS(=O)(=O)C3)cc2c1C 71751259 WXLUNWACZYSBSM-UHFFFAOYSA-N 368.480 1.770 0 50 FDAA CN(Cc1csc(-c2cccs2)n1)C(=O)c1c[nH]nc1-n1cnnn1 72432269 OOKYVOMJYJACIX-UHFFFAOYSA-N 372.439 1.843 0 50 FDAA Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 72441401 BLZTVFYYOGTLNM-JKSUJKDBSA-N 367.515 1.999 0 50 FDAA C[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)[C@@H]4CCNC4)CC3)cc2NC1=O 262622608 JKDRBRMRNUUZRA-IUODEOHRSA-N 371.437 1.437 0 50 FDAA O=C(N1CC[C@](CO)(Cc2ccc(F)cc2)C1)C1(O)CCSCC1 366500961 PISPECNMVGCWDG-KRWDZBQOSA-N 353.459 1.837 0 50 FDAA CC1(Cc2noc([C@H]3CC(=O)N(CCN4CCOCC4)C3)n2)CCCC1 377549441 LLKRGULIPZJOME-HNNXBMFYSA-N 362.474 1.841 0 50 FDAA COCc1noc([C@H](C)N2CCc3ccc(S(C)(=O)=O)cc3CC2)n1 374810437 LHHBIIKONNCGIW-LBPRGKRZSA-N 365.455 1.781 0 50 FDAA CC1(C)Cc2cccc(OCC(=O)N3CCOC[C@H]3c3nc[nH]n3)c2O1 375269242 PNSKVXRWMJXHAQ-ZDUSSCGKSA-N 358.398 1.497 0 50 FDAA CN1CCC(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)CC1 72434149 RXAQFKMOBQGIER-UHFFFAOYSA-N 351.472 1.441 0 50 FDAA O=C(O)[C@H]1C[C@@H](C(=O)NCc2ccncc2)CN(CCc2ccccc2)C1 72133341 RQQWYZQXCGKIDO-MOPGFXCFSA-N 367.449 1.963 0 50 FDAA Cc1nc(N[C@H]2[C@H]3CCO[C@H]3[C@@H]2NS(C)(=O)=O)c2sccc2n1 222860001 LKFOSOYBUYMQGP-SASUGWTJSA-N 354.457 1.117 0 50 FDAA C[C@H](NC(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C)c1cnn(C)c1 221412938 JHTXDOCLNNREOD-ZDUSSCGKSA-N 368.441 1.634 0 50 FDAA COC(=O)N1CCCC[C@@H]1C(=O)NCCc1nc(-c2cccnc2)n[nH]1 223455532 RXJHVCKJHMBTOE-CYBMUJFWSA-N 358.402 1.146 0 50 FDAA CCCCCCNC(=O)NCc1cc2n(n1)CCCN(S(C)(=O)=O)C2 82136960 WCHPOHYEMRQQEX-UHFFFAOYSA-N 371.507 1.428 0 50 FDAA CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2O)C1 289304410 GWRLESSKMBGZSG-JTQLQIEISA-N 364.826 1.681 0 50 FDAA COc1ccnc(-c2cccc(C(=O)NCCN3CCCC[C@@H]3CO)c2)n1 426376599 YGYXNKGYXGLPPW-QGZVFWFLSA-N 370.453 1.729 0 50 FDAA CC(C)c1nc(CN(C)C(=O)[C@@H](c2cccnc2)N2CCOCC2)no1 82137723 RJKKDSRDFWXCDP-MRXNPFEDSA-N 359.430 1.620 0 50 FDAA CC(C)COc1cncc(N2CCC(n3cnc(C(N)=O)c3N)CC2)n1 291058730 FLYVZYNXTTXGQI-UHFFFAOYSA-N 359.434 1.231 0 50 FDAA O=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1ccc2nccn2c1 220341328 RGNLJOFWXAVBMJ-IAGOWNOFSA-N 352.394 1.833 0 50 FDAA Cn1cc(C(=O)O)c(C(=O)NCCn2nc(C(F)F)cc2C(F)F)n1 20616435 FLOSCMMINHLRON-UHFFFAOYSA-N 363.271 1.620 0 50 FDAA COCC(=O)N1CC[C@]2(O)CCN(Cc3ccc(Cl)c(F)c3)C[C@@H]2C1 95352072 DJSCIHRYJQAJKB-RDTXWAMCSA-N 370.852 1.911 0 50 FDAA O=C(NC1CCCCC1)c1ccc(S(=O)(=O)N[C@H]2CCOC2)cc1 92065437 JPYJJJKQZULTLM-HNNXBMFYSA-N 352.456 1.816 0 50 FDAA CCCS(=O)(=O)N1CCC2(CC1)CC(=O)N(Cc1c(C)noc1C)C2 91663223 VWWUOXIQPIPPQU-UHFFFAOYSA-N 369.487 1.846 0 50 FDAA Cc1nnnn1[C@@H](C(=O)N(C)Cc1noc(C(C)C)n1)c1ccccc1 91665142 IAJYHCQPRQKVEE-OAHLLOKOSA-N 355.402 1.736 0 50 FDAA Cc1nnc(CN2CC[C@@]3(CCCN(C4CCOCC4)C3=O)C2)s1 92081329 VVJRZHAMIYYYSW-KRWDZBQOSA-N 350.488 1.840 0 50 FDAA CN1CCC[C@@]2(CCN(C(=O)c3cccc(N4CCNC4=O)c3)C2)C1=O 91382239 BKDWMGJZULNTNW-IBGZPJMESA-N 356.426 1.301 0 50 FDAA CC(=O)N1C[C@H](C2CC2)[C@@H](NC(=O)c2cnc(N)nc2-c2ccccc2)C1 95367891 QNHRBNBOAAKRGV-SJORKVTESA-N 365.437 1.713 0 50 FDAA Cc1nn(C)cc1NC(=O)CN1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 92021114 VETPAHRXPULASW-ACJLOTCBSA-N 350.463 1.167 0 50 FDAA Cn1ccnc1C1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CC1 92037650 CWKCSNQAJJNLIY-MRXNPFEDSA-N 367.453 1.570 0 50 FDAA CCn1c(Cn2cncn2)nnc1C1CCN(Cc2cccnc2)CC1 91662973 SSRDMTXAFHJCTF-UHFFFAOYSA-N 352.446 1.712 0 50 FDAA CN1CCCN(C[C@@H]2CN(Cc3ccc(C(=O)O)cc3)C[C@@H]2CO)CC1 91536262 LZCDPDQRQIFKTI-RTBURBONSA-N 361.486 1.063 0 50 FDAA O=C(NC1(CN2CCOCC2)CCCC1)c1ccc2c(c1)ncn2CCO 97301450 MDRUYVGXVBGMTF-UHFFFAOYSA-N 372.469 1.403 0 50 FDAA COc1nccnc1N1CCC(c2nnc(CN3CCCCC3)n2C)CC1 96161328 WWEPMCKUNMHVSO-UHFFFAOYSA-N 371.489 1.984 0 50 FDAA CCCC(=O)C(=O)N1CCC[C@@H](c2nnc(Cn3ccnc3C)n2C)C1 95365797 NNQXGRPOHRMDEN-CQSZACIVSA-N 358.446 1.444 0 50 FDAA Cc1cc(N2CCCN(Cc3cc(=O)n4nc(C)cc4[nH]3)CC2)ccn1 334159671 FQDLJALAUZYRJI-UHFFFAOYSA-N 352.442 1.747 0 50 FDAA CNC(=O)[C@H]1CCN(Cc2cc(-c3ncccn3)ccc2OCC(=O)O)C1 97785167 NJHGHDLGIIIKRQ-AWEZNQCLSA-N 370.409 1.175 0 50 FDAA Cc1nc(-c2cccc(N3CCS(=O)(=O)CC3)c2)n(-c2ccccn2)n1 96163197 NBTUZBPBIZMQPT-UHFFFAOYSA-N 369.450 1.873 0 50 FDAA O=C(NCCc1csc(-c2ncccn2)n1)[C@@H]1CCCCn2nnnc21 299768728 KJEGGMHZDJOQKK-GFCCVEGCSA-N 370.442 1.213 0 50 FDAA O=C(NCc1nc(-c2cnccn2)n[nH]1)[C@@H]1CCCN(C2CCCCC2)C1 299755786 DQHNATLVPFYXGV-CQSZACIVSA-N 369.473 1.923 0 50 FDAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(CCN1CCN(c3ccccc3)CC1)CC2 299764366 RZCNAAZCAYPLIK-QHAWAJNXSA-N 359.514 1.813 0 50 FDAA COC(=O)c1c(OCCc2scnc2C)cc(=O)n2c1CCNCC2 299790213 AZULDIWBNIHPNR-UHFFFAOYSA-N 363.439 1.167 0 50 FDAA O=C(O)[C@@H](c1ccc(F)c(CO)c1)N1CCCN(c2ncccn2)CC1 828817767 SWFHFUPGHAFKFO-MRXNPFEDSA-N 360.389 1.446 0 50 FDAA COc1cccc(N2C[C@H](NC(=O)N3CCc4n[nH]cc4C3)CC2=O)c1 584886667 QUYIDSPIIOVCGY-CYBMUJFWSA-N 355.398 1.292 0 50 FDAA O=C(NCCc1nc(-c2ccccn2)no1)c1ccnc(-n2cnnc2)c1 670473777 WSQXOGANEHRFAT-UHFFFAOYSA-N 362.353 1.080 0 50 FDAA COc1cccc(S(=O)(=O)NC[C@H]2CC(=O)N(C3CCCC3)C2)c1 670451680 KXPLIDSECCGENW-CYBMUJFWSA-N 352.456 1.765 0 50 FDAA 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O=C1CO[C@H](C(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)[C@@H](c2cccnc2)N1 1529181791 PLFVUBYDVKHRDS-BEUMRWCMSA-N 355.438 1.675 0 50 FDAA CN1C[C@@H]2C[C@H](N(C)C(=O)c3cccc(S(C)(=O)=O)c3)C[C@@H]2CC1=O 1529179086 VBWAYLQZCIOMLU-QLFBSQMISA-N 364.467 1.419 0 50 FDAA CCOC(=O)COc1ccc(/C=C2/NC(=O)NC2=O)cc1Br 1157758 ZCOMZTNQSFOYFS-UXBLZVDNSA-N 369.171 1.571 0 50 FDAA O=C(c1cc(=O)c2ccccc2o1)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1529151914 HEAMSFJBFOZBHN-GDBMZVCRSA-N 354.406 1.728 0 50 FDAA CCn1cc(CN2CCO[C@H](CO)[C@H]2c2ccc(OC)c(OC)c2)cn1 1529196425 ZSDZGRQHRPNGTB-RTBURBONSA-N 361.442 1.855 0 50 FDAA Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)Cc3ccncc3)C[C@@H]2O)c1 215192160 ZRLMUUGJXVLIQP-MOPGFXCFSA-N 367.449 1.572 0 50 FDAA CNc1nc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3CCCOC)C2)cs1 216418429 IIKGRHUCHLRLDU-OCCSQVGLSA-N 366.487 1.674 0 50 FDAA CNC(=O)c1ccc(CN2CC[C@](Cc3ccccc3)(C(=O)O)[C@@H](O)C2)o1 1704308805 KXPUGEJBTUHMFI-FXAWDEMLSA-N 372.421 1.520 0 50 FDAA O=C(O)CN1C[C@H]2CN(Cc3cc[nH]n3)C[C@]2(CCc2ccccc2)C1 1772815948 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FDAA CS(=O)(=O)N1CCn2c(Cc3cccc(Br)c3)nnc2C1 253419328 MFUFBUMJVBYPLA-UHFFFAOYSA-N 371.260 1.407 0 50 FDAA CCOC(=O)N1CCC(NC(=O)[C@H]2CC(=O)N(c3nccs3)C2)CC1 364333956 CECXDWAJNNGULN-NSHDSACASA-N 366.443 1.233 0 50 FDAA CCC[C@]1(C(=O)O)CN(S(=O)(=O)c2cccc(Cl)c2)CC[C@@H]1O 1704345470 ZIMPGGDCFMFGSM-ZFWWWQNUSA-N 361.847 1.966 0 50 FDAA C[C@]1([C@H]2CCCN(C(=O)c3ccc4oc(S)nc4c3)C2)NC(=O)NC1=O 829689609 UQJRJGNQRQQTLN-DYZYQPBXSA-N 374.422 1.567 0 50 FDAA Cc1nc([C@@H]2CCO[C@@H]2CN(C)C(=O)c2ncc3c(F)cccn23)n[nH]1 952886111 HDPNSDYKSYVXDO-BXUZGUMPSA-N 358.377 1.545 0 50 FDAA COc1cncc(C(=O)N2CC[C@@H](Oc3ccnc(CN(C)C)c3)C2)n1 952824877 XXTRUWOFXNHVCU-OAHLLOKOSA-N 357.414 1.235 0 50 FDAA Cn1cc(NC(=O)Cc2cccc(Cl)c2)c(C(=O)N2CCOCC2)n1 1875298886 QVGWBDGDNLPFGX-UHFFFAOYSA-N 362.817 1.727 0 50 FDAA Cc1ccccc1C(=O)N1CCCC[C@H]1C(=O)N[C@H](C)C(=O)NC1CC1 1875278468 BQBGHHSLGIQILY-PBHICJAKSA-N 357.454 1.773 0 50 FDAA C=CC(=O)N1CCC[C@@H](C(=O)N(C)Cc2nc(O)c3sccc3n2)C1 1875370997 KVXIKXUZSAPQIQ-LLVKDONJSA-N 360.439 1.780 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1cccc(-n2ccnn2)c1 1875403054 OZKUXVRODPBVTA-KBRIMQKVSA-N 352.398 1.033 0 50 FDAA Cc1nn[nH]c1C(=O)NC[C@@H]1CC2(CC2)CN1C(=O)[C@@H]1C[C@]1(C)C(C)C 1875406935 PCDHPWLRFVJTDK-SUNYJGFJSA-N 359.474 1.906 0 50 FDAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1ccccc1Cn1cncn1 1875402500 HXFJGGPFASYDKY-BMGDILEWSA-N 366.425 1.092 0 50 FDAA Cc1nn(CCS(C)(=O)=O)c(C)c1Cn1cc(-c2ccccn2)nn1 881374594 KDEGHZHTPKCVPO-UHFFFAOYSA-N 360.443 1.246 0 50 FDAA Cn1cnc(C(=O)NC[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2nccn2C)c1 886026704 MXXGRTGMFQSUJY-WBMJQRKESA-N 356.430 1.026 0 50 FDAA Cc1nc([C@H]2C[C@@H](O)[C@@H](CNC(=O)Cc3cc(F)ccc3F)C2)n[nH]1 886093718 DWFBGZSEDZBJHT-LALPHHSUSA-N 350.369 1.605 0 50 FDAA Nc1ccc([C@H]2CCCN2C(=O)c2cccnc2N2CCOCC2)nn1 886097033 JGENUYMGRMSMAL-OAHLLOKOSA-N 354.414 1.268 0 50 FDAA CC(C)N(C)c1ccc(CN2CCC[C@](O)(Cc3nncn3C)C2)cn1 886088437 GXZQCSGFMVMGMD-IBGZPJMESA-N 358.490 1.624 0 50 FDAA CO[C@@H]1CN(C(=O)C2(Cc3ccc(F)cc3)CC2)C[C@H]1c1cn(C)nn1 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O=C(Cn1c(=O)[nH]c2ccccc21)N[C@@H]1CCN(c2ccccc2F)C1=O 112330009 SPYTWPCAWDQTTB-CQSZACIVSA-N 368.368 1.390 0 50 FDAA CN1CCN(Cc2ccsc2)C[C@]12CCC(=O)N(CC(=O)O)CC2 107644807 WZZFOMQGFJAAGU-QGZVFWFLSA-N 351.472 1.331 0 50 FDAA CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(NC(C)=O)cc2)C1 10302444 YOCRNWYAZGGAJV-CYBMUJFWSA-N 353.444 1.645 0 50 FDAA C[C@@H]1CNC(=O)CCN1C(=O)c1cc(Cn2cnc3ccccc32)[nH]n1 67724738 OSYMIXSTAGPZLQ-GFCCVEGCSA-N 352.398 1.158 0 50 FDAA O=C(NC1(c2cc(F)cc(F)c2)CC1)c1cn(C[C@@H]2CCCNC2)nn1 67447320 ZUAKXKAAQDJYEF-GFCCVEGCSA-N 361.396 1.975 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cc(C2CC2)nc2ccccc12 67770605 VQPWRXAUKDEBKY-UGSOOPFHSA-N 352.438 1.790 0 50 FDAA Cc1cc(N2CCN(C(=O)[C@H]3Cc4ccccc4O3)CC2)n2ncnc2n1 24767369 LWQHLLJVVKMLNM-MRXNPFEDSA-N 364.409 1.085 0 50 FDAA CN(C(=O)c1cccs1)c1ccccc1C(=O)N[C@@H]1C[C@@H](CO)N(C)C1 65397998 NWMMHJXJHFXWNP-KGLIPLIRSA-N 373.478 1.820 0 50 FDAA O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[C@@H](O)COCc1ccc2c(c1)OCO2 229648994 RUEHDMVCMCKPMP-RBSFLKMASA-N 359.378 1.244 0 50 FDAA CCn1c(C2CCN(C(=O)c3cccc4c3OCC4)CC2)nn(C)c1=O 67966960 FZSYLDJGLFYVEP-UHFFFAOYSA-N 356.426 1.556 0 50 FDAA Cn1c(CN2CCOCC2)nnc1C1CCN(C(=O)N2CCCC2)CC1 77320650 IZUXYBCWJNGAIF-UHFFFAOYSA-N 362.478 1.043 0 50 FDAA Cn1ncc(NC(=O)c2ccnn2C(F)F)c1C(=O)N1CCCCC1 2800346 ZIQBBIZXJUXHJM-UHFFFAOYSA-N 352.345 1.890 0 50 FDAA CC(C)(C)CC(=O)N1C[C@@H](C(=O)O)C[C@@H](C(=O)NCc2ccccn2)C1 72161117 MHMZCQGGTAWCTH-KGLIPLIRSA-N 361.442 1.683 0 50 FDAA Cc1cccc2[nH]c(COCC(=O)N3CCc4c(nc[nH]c4=O)C3)nc12 72127138 QXEJRJLLRMIASG-UHFFFAOYSA-N 353.382 1.056 0 50 FDAA CO[C@H](C1CC1)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F 456562529 VWRANJXTJYLPII-PGUXBMHVSA-N 358.435 1.422 0 50 FDAA COc1cccc(-n2cc(CN(C)C(=O)Cc3cnc(C)[nH]c3=O)cn2)c1 72426693 PUTRVMPHQIQHMY-UHFFFAOYSA-N 367.409 1.474 0 50 FDAA Cc1cc(N)n(CC(=O)N2CCn3nc([C@H](O)c4ccccc4)cc3C2)n1 219814559 RFSJJOYKQHSBTP-LJQANCHMSA-N 366.425 1.094 0 50 FDAA Cc1nccn1CC(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 333977761 ZIWQGZGZLCSARO-HUUCEWRRSA-N 354.410 1.227 0 50 FDAA C[C@H]1CN(CC2CCN(C(=O)c3csc(CN)n3)CC2)C[C@@H](C)O1 237604789 KPBHRNDDNJTGRE-BETUJISGSA-N 352.504 1.563 0 50 FDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCC2CC2)c(C)c1C 72157941 SVYLPAHURQQEAM-KRWDZBQOSA-N 359.470 1.529 0 50 FDAA CCCN1C(=O)N[C@@H](CC(=O)N(C)Cc2cc(-c3ccccc3)n[nH]2)C1=O 215863775 SLBAFFLLHDSLBJ-INIZCTEOSA-N 369.425 1.756 0 50 FDAA CCC[C@H](C)N1CC2(CCN(C(=O)CCn3nnnc3C)CC2)OC1=O 77319881 RWDFEHKNJSHCCZ-ZDUSSCGKSA-N 364.450 1.374 0 50 FDAA CC(C)CCN1CCNC(=O)[C@@H]1CC(=O)N(Cc1cccnc1)C1CC1 72133394 VZMJNUIWIOJAFO-SFHVURJKSA-N 358.486 1.809 0 50 FDAA C[C@](O)(CN1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1)C(F)(F)F 374161769 KQYONHNMJMZUPT-OLZOCXBDSA-N 358.426 1.626 0 50 FDAA CC(C)c1nc2n(n1)C[C@H](NC(=O)c1cnc(OCC3CC3)cn1)CC2 375291202 FKIQIDXVYTYSBM-CYBMUJFWSA-N 356.430 1.725 0 50 FDAA C[C@@H](O)CNC(=O)c1cn2cc(-c3cccs3)n(CC3CC3)c(=O)c2n1 72434557 IPGOLNZBJDAEAG-LLVKDONJSA-N 372.450 1.745 0 50 FDAA C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CCN1 262832296 IAENNSKCXSZBOR-YUELXQCFSA-N 359.426 1.277 0 50 FDAA CN1CC2(CCN(S(=O)(=O)c3cc(C(=O)O)ccc3F)CC2)CC1=O 77504108 LATGEUHMOMHFQB-UHFFFAOYSA-N 370.402 1.157 0 50 FDAA CCc1nnc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(C(C)(C)C)C(=O)[C@H]24)O3)o1 77342906 HTYKRLDIWXJNPH-IGPXVZFTSA-N 374.441 1.171 0 50 FDAA C[C@H](OC(=O)[C@@H]1C[C@H]1c1ccccc1F)C(=O)N1CCC[C@@H](C(N)=O)C1 241515606 OGLHNWDXWWZODV-MYZSUADSSA-N 362.401 1.585 0 50 FDAA COC[C@H]1CN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CCO1 172620769 BRYNEBWKSQERRE-FUHWJXTLSA-N 350.434 1.912 0 50 FDAA O=C(CCN1C(=O)CCc2ccccc21)N1CC[C@H](N2CCOCC2)C1 172769311 CMZCIXYRGVYEBH-KRWDZBQOSA-N 357.454 1.289 0 50 FDAA CC[C@@H](O)c1cc2n(n1)CCN(C(=O)c1cnc3cccc(C)n3c1=O)C2 220587632 LKYPXFYFEXWWNB-MRXNPFEDSA-N 367.409 1.299 0 50 FDAA CCCc1cn(C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)nn1 82039419 CZDZUWXJLZHZEN-UHFFFAOYSA-N 352.464 1.596 0 50 FDAA O=C(C1CCC1)N1Cc2nnc(C3CCOCC3)n2[C@H](Cc2c[nH]cn2)C1 82161854 VNRVLNGNCYTRRC-MRXNPFEDSA-N 370.457 1.821 0 50 FDAA Cc1ccc2c(c1)c(=O)c(C(=O)N1CC[C@@]3(CN(C)C(=O)O3)C1)cn2C 221345000 ICCDNVROQIKPAS-LJQANCHMSA-N 355.394 1.514 0 50 FDAA CN1CC[C@@H]2OCCN(C(=O)COc3cccc(N4CCCC4=O)c3)[C@H]2C1 285702339 IVUZTESKFFMYRK-ROUUACIJSA-N 373.453 1.124 0 50 FDAA Cc1nnc2n1C[C@@H](C(=O)O)N(C(=O)Cc1csc3ccccc13)C2 263423583 LTLXKXCBACRWIL-ZDUSSCGKSA-N 356.407 1.839 0 50 FDAA Cc1noc([C@H]2CCCN2C(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)n1 286376678 BABLZBIOKSJAGB-BXUZGUMPSA-N 353.386 1.956 0 50 FDAA C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCN(C2CCOCC2)CC1 175472511 KCJZSQAJUQGPEX-INIZCTEOSA-N 363.477 1.969 0 50 FDAA O=C(O)Cn1nccc1[C@H]1CCCN(C(=O)c2cnc(C3CC3)nc2O)C1 426538717 YWEBNIQBYVYQFD-LBPRGKRZSA-N 371.397 1.361 0 50 FDAA CN1C[C@@H](C(=O)N2CCCN(C)C3(CCNCC3)C2)Oc2ccccc21 426440257 HYXBNXLFHOYCOK-SFHVURJKSA-N 358.486 1.170 0 50 FDAA CCCn1cnnc1CNC(=O)Nc1cc(S(C)(=O)=O)ccc1C 426594773 DSLQZXCTSAOAHR-UHFFFAOYSA-N 351.432 1.722 0 50 FDAA CC(C)N1CCO[C@@H](CC(=O)N2CCCN(Cc3ccncc3)CC2)C1 82097115 CGLXUQVSSZQEFK-IBGZPJMESA-N 360.502 1.615 0 50 FDAA Cc1ccc(C(=O)NCc2nc(-c3ncccn3)no2)cc1OCCCN 426667097 PPXNPLUJIGSIGD-UHFFFAOYSA-N 368.397 1.493 0 50 FDAA O=C1C[C@H](C(=O)NCc2nc(-c3ncccn3)no2)c2ccccc2N1 426438721 ASMJNYHHXFLKQT-NSHDSACASA-N 350.338 1.269 0 50 FDAA Cc1cccc([C@@H](C(=O)N2CCC(C(=O)N3CCOCC3)CC2)N(C)C)c1 95356675 RSEGUYLRCUMEGU-IBGZPJMESA-N 373.497 1.695 0 50 FDAA O=C([C@H]1COc2ccccc2C1)N1CCC(c2ccnn2CCO)CC1 179191327 LZPOMRQLYGICDD-QGZVFWFLSA-N 355.438 1.833 0 50 FDAA COCCCN1CCC[C@]2(CCN(S(=O)(=O)c3cccnc3)C2)C1=O 91849359 XKGHVIXFTFPFME-QGZVFWFLSA-N 367.471 1.121 0 50 FDAA CN(CCO)CCOCCOc1ccccc1I 22079126 DKYQBOKHNCSWNE-UHFFFAOYSA-N 365.211 1.611 0 50 FDAA O=C(CCCc1cn[nH]c1)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 95497915 NRXPEHMPABYFIY-GOEBONIOSA-N 373.482 1.839 0 50 FDAA COc1ccc2c(=O)n(CC(=O)N3C[C@@H]4CC[C@H]3CNC4)ccc2c1OC 95513394 SNESEHCTGQAZOR-KGLIPLIRSA-N 371.437 1.229 0 50 FDAA O=C(NCCCN1CCCC1)N1CCN(Cc2ccco2)[C@H](CCO)C1 426370336 IFKWSZDLUHLCJE-QGZVFWFLSA-N 364.490 1.344 0 50 FDAA CCc1nnc(CN(CC)C(=O)c2cc(S(N)(=O)=O)ccc2F)o1 91574253 MPCCDRRCZYOHMP-UHFFFAOYSA-N 356.379 1.081 0 50 FDAA COCCn1cnnc1[C@H](C)NC(=O)Nc1ccc(-n2cncn2)cc1 95529869 MAKZOQSVGDNRDZ-LBPRGKRZSA-N 356.390 1.388 0 50 FDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(=O)[nH]c1)CC2 95511349 RFNSSTYFBHBPAO-UHFFFAOYSA-N 369.425 1.024 0 50 FDAA CN1CCN(C[C@@H]2CN(C(=O)Cc3c[nH]c4ccccc34)C[C@@H]2CO)CC1 95384897 JWTPWMDPYZEFHW-QZTJIDSGSA-N 370.497 1.025 0 50 FDAA O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCC(c2cc(=O)[nH]cn2)CC1 97675510 GYOYMIPURMWGRM-AWEZNQCLSA-N 358.442 1.267 0 50 FDAA CC(C)(CNc1nc2c(c(=O)[nH]1)Cc1ccccc1OC2)N1CCOCC1 95518096 BTDHCVKEDCDWSP-UHFFFAOYSA-N 370.453 1.776 0 50 FDAA CNC(=O)CN1C[C@H](C(C)C)[C@@H](NC(=O)c2cnc(C3CC3)nc2C)C1 92066249 LTHXKGZPHLCIQE-CVEARBPZSA-N 359.474 1.095 0 50 FDAA O=C(CCCn1cncn1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2=O 95529877 MNJMJTPHOZALMY-DOTOQJQBSA-N 368.441 1.103 0 50 FDAA COc1cccc(N2C[C@H](C(=O)N[C@@H](CO)CCSC)CC2=O)c1 230211882 XELSIPVNZSBHCM-CHWSQXEVSA-N 352.456 1.278 0 50 FDAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(Cc1ccc3c(c1)OCCO3)CC2 95367498 MDJXPTOWEHCGPH-AWEZNQCLSA-N 360.410 1.355 0 50 FDAA O=C(c1cc(F)ccc1Cl)N1C[C@H](CO)[C@H](CN2CCOCC2)C1 91793642 FRLVQQGBXPNFLC-CHWSQXEVSA-N 356.825 1.492 0 50 FDAA CN(C[C@H](O)CO)c1ccnc(N(C)Cc2cccc3ncccc23)n1 95354796 FIJVXNUBHIMVNQ-HNNXBMFYSA-N 353.426 1.451 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2ccccc2C)CN1CCCOC 96151329 AKXYXJMQDFJYAE-ROUUACIJSA-N 361.486 1.269 0 50 FDAA CS(=O)(=O)C[C@H]1CCCN(C(=O)Cn2ccc3ccccc3c2=O)C1 95512674 NVAUIMVLZKPTNI-AWEZNQCLSA-N 362.451 1.285 0 50 FDAA O=C(c1ccc(F)cc1Cl)N1C[C@H](CO)[C@H](CN2CCC(O)CC2)C1 91425461 MTWJNIHZDGRJNF-CHWSQXEVSA-N 370.852 1.616 0 50 FDAA O=C(c1ccc(F)cc1)N1C[C@H](CO)[C@H](CN2CCC(CO)CC2)C1 95380894 APAHZJARNMTNQB-IAGOWNOFSA-N 350.434 1.211 0 50 FDAA CC(=O)c1ccccc1OC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239338828 LHGJBCACLIKDFZ-PAUSBUDFSA-N 365.385 1.848 0 50 FDAA COCCn1cnnc1[C@@H](C)NC1CCN(c2nc(C)cc(C)n2)CC1 95362239 QDIVSEBDLMVSGJ-OAHLLOKOSA-N 359.478 1.651 0 50 FDAA O=C(c1cnc(Nc2ccccc2)nc1)N1CCN(c2ncccn2)CC1 97334350 BUNDYDPKXVPOFI-UHFFFAOYSA-N 361.409 1.973 0 50 FDAA O=C(Cc1ccc2c(c1)OCO2)N[C@H](Cc1ccccn1)[C@H]1C[C@H](O)C1 244646948 GSFYTKBTCABZBZ-DJIMGWMZSA-N 354.406 1.851 0 50 FDAA Cc1nc2ccc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)cc2[nH]1 253413240 UFRCBJVELZUBOB-INIZCTEOSA-N 363.377 1.951 0 50 FDAA biogenic CCCN(Cc1nccn1C)C(=O)NC1(CN2CCOCC2)CCCC1 534633006 SPDVSCVZUGGTLY-UHFFFAOYSA-N 363.506 1.987 0 50 FDAA Cc1nn(C)c(C)c1[C@H](C)NC(=O)[C@H](c1ccccc1)n1nnnc1C 32593096 VIOMMSWOBWSXOX-GTNSWQLSSA-N 353.430 1.799 0 50 FDAA O=C1COc2cc(C(=O)N3CCCO[C@@H](CN4CCCCC4)C3)ccc2N1 299787167 ZOQZXASYPGOKGV-INIZCTEOSA-N 373.453 1.735 0 50 FDAA Cn1ncc(CN2CCn3nc(CNC(=O)C4CCC4)cc3C2)c1C1CC1 299764539 AJUOVVJSGOODJP-UHFFFAOYSA-N 368.485 1.926 0 50 FDAA COc1ccc(C[C@H](N)C(=O)Nc2ccc(OC)c(C(=O)N(C)C)c2)cc1 824673622 AYFDHGVLYFQLIQ-KRWDZBQOSA-N 371.437 1.914 0 50 FDAA COc1ncc(CN2CCN(Cc3ccc4c(c3)OCO4)C(=O)C2)cn1 824852232 XUTPTQHWPXIZND-UHFFFAOYSA-N 356.382 1.058 0 50 FDAA CCCn1cc(S(=O)(=O)N[C@@H]2CCCN(C(=O)c3ccco3)C2)cn1 823033023 HSCJIRCPWPEXBM-CYBMUJFWSA-N 366.443 1.469 0 50 FDAA CC(C)C(=O)N1CCC[C@H](NC(=O)N(CCO)Cc2nccs2)C1 584893042 ICVLJFKJEGIDOF-ZDUSSCGKSA-N 354.476 1.294 0 50 FDAA Cc1cccc(=O)n1CCC(=O)N1C[C@@H]2CC[C@H]1CN(c1ncccn1)C2 1565516144 MAELMOWTZRWTJF-SJORKVTESA-N 367.453 1.464 0 50 FDAA C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCO[C@H](c3ccsc3)C2)C1=O 268177221 BUTOKVOKEOLPMU-GUYCJALGSA-N 363.439 1.369 0 50 FDAA CN(C)S(=O)(=O)N1CCC(CNC(=O)Cc2cccc(F)c2)CC1 952869789 OTWUDNLAXNCHDK-UHFFFAOYSA-N 357.451 1.003 0 50 FDAA COc1cccc(N2C[C@H](NC(=O)CCN3CCCCCC3=O)CC2=O)c1 952982391 LKDJQSCSFRDSFN-OAHLLOKOSA-N 373.453 1.709 0 50 FDAA NC(=O)C[C@@H](NC(=O)c1ccc(-c2cncnc2)cc1F)C1CCOCC1 186272015 GAULMWKWRNYATA-QGZVFWFLSA-N 372.400 1.683 0 50 FDAA CN(C)C(=O)[C@@H](N[C@H]1CCCN(c2nccnc2O)C1)c1ccccc1 275399992 CLJVALFCQMMYED-HOTGVXAUSA-N 355.442 1.570 0 50 FDAA COc1ccsc1S(=O)(=O)N[C@@H]1CCCN(c2nccnc2O)C1 278857207 LORLXDXEQNRCMN-SNVBAGLBSA-N 370.456 1.200 0 50 FDAA Cc1csc(CN(C)C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)n1 170646854 JUBPDDZBJIUNRD-LBPRGKRZSA-N 362.459 1.522 0 50 FDAA O=C(NS(=O)(=O)c1cnn(CC2CC2)c1)C(F)(F)Cc1ccccc1 796861261 MPBGKOKPLLKFBQ-UHFFFAOYSA-N 369.393 1.976 0 50 FDAA O=C(CN1CCCC1=O)N[C@H]1COC[C@@H]1Cc1ccnc2ccccc12 1615734839 KDWRLMAICVKHBP-YJBOKZPZSA-N 353.422 1.531 0 50 FDAA Nc1ncc(/C=C/C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)cn1 1506428122 WWEIPLTWMFSDNZ-AATRIKPKSA-N 364.409 1.497 0 50 FDAA O=C(Cn1ccc(=O)cc1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 1506426408 HZQOCGSIJCCMEJ-UHFFFAOYSA-N 355.482 1.961 0 50 FDAA CNC(=O)c1ccc(S(=O)(=O)NCc2nc(C(C)(C)C)no2)cc1 1506419490 CXFFXAJABOMDMA-UHFFFAOYSA-N 352.416 1.205 0 50 FDAA Cc1ncnc(N2CCN(C(=O)c3cc(CC(C)C)nc(O)n3)CC2)c1C 1506413369 JDNBEPOUJCYLEM-UHFFFAOYSA-N 370.457 1.750 0 50 FDAA COC[C@H]1CCCN(S(=O)(=O)NCc2noc(-c3ccco3)n2)C1 1506406499 MTSATCNMOILIJW-NSHDSACASA-N 356.404 1.022 0 50 FDAA CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1cnc3ccccc3c1)C2 211946062 YVMWRMFIZLDUIQ-CJNGLKHVSA-N 359.451 1.731 0 50 FDAA Cc1cc(N[C@H]2COC[C@H]2Cc2ccncc2)nc(N2CCOCC2)n1 1704335614 CDSZDOGTNCTLPU-SJORKVTESA-N 355.442 1.686 0 50 FDAA CCC[C@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C[C@@H]1NC(C)=O 222229953 AFXTVLWODFXDJS-JSGCOSHPSA-N 373.375 1.630 0 50 FDAA COC1CCN(C(=O)[C@H]2CCc3sc(N4CCOCC4)nc3C2)CC1 1772818126 MPZQMMHBGCULAQ-ZDUSSCGKSA-N 365.499 1.722 0 50 FDAA Cn1ccnc1CN1C[C@@H]2COC[C@H](C1)N(c1ncnc3[nH]ccc13)C2 1772710983 XRRSVWIWNPUDEA-KBPBESRZSA-N 353.430 1.029 0 50 FDAA CC(=O)N1CCCN(c2nc3nonc3nc2NCc2cccs2)CC1 11813011 UHLVHOGXMUTBDP-UHFFFAOYSA-N 373.442 1.745 0 50 FDAA c1cnc(N2CCCN(c3nc4nonc4nc3N3CCCC3)CC2)nc1 12576580 XKKFONAGAHNSRS-UHFFFAOYSA-N 367.417 1.120 0 50 FDAA CCOC(=O)CNC(=O)N1CCC[C@@H](C(=O)c2ccc3c(c2)OCO3)C1 12718770 QWMSPCUBEHWBSK-CYBMUJFWSA-N 362.382 1.583 0 50 FDAA Cc1noc(C)c1CCC(=O)NCc1cccnc1N1CCC[C@H](O)C1 15065547 FHNNCPUEFVMZRN-INIZCTEOSA-N 358.442 1.897 0 50 FDAA COc1cc(-n2ccc3c(cnc4ncnn43)c2=O)cc(OC)c1OC 19960590 JIRMWVMXOAJRNR-UHFFFAOYSA-N 353.338 1.454 0 50 FDAA COc1cncc(N2CCN(C(=O)c3n[nH]c4c3C[C@@H](C)O[C@H]4C)CC2)c1 1857529106 WCKJOQIXUOSIPE-OLZOCXBDSA-N 371.441 1.798 0 50 FDAA COC1(C(=O)NCCc2ccccn2)CCN(c2nccnc2C)CC1 1857669982 ICILTQIGJSHRSW-UHFFFAOYSA-N 355.442 1.524 0 50 FDAA O=C(CCc1cccc(Cl)c1)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1 1857688180 WOSWQIOTSGXNAT-CRAIPNDOSA-N 350.846 1.762 0 50 FDAA Cc1ccc(Cl)c(OCCN2CC[C@H](O)[C@@]3(CCCNC3=O)C2)c1 1857696101 MPZFHNGYBYOHLT-FUHWJXTLSA-N 352.862 1.990 0 50 FDAA COCC1(CNC(=O)[C@H]2CC(=O)N(c3nnc(C(C)C)s3)C2)CCC1 1857735928 VTOZSAIFHWJRJF-LBPRGKRZSA-N 366.487 1.947 0 50 FDAA COC1(C(F)(F)F)CCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 333872421 BXTHHCBLHIDRNO-CYBMUJFWSA-N 360.380 1.959 0 50 FDAA Cc1ccc(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)cc1C(=O)O 484799875 UDXHWFKAHOWJLF-LBPRGKRZSA-N 351.384 1.652 0 50 FDAA O=C(O)[C@@]1(Cc2ccccc2)CCN(Cc2noc(C3CC3)n2)C[C@@H]1O 1704331251 QAIAOEQOVAOUCM-HNAYVOBHSA-N 357.410 1.827 0 50 FDAA CCN1C(=O)CC[C@H](C(=O)N2CCCc3n[nH]cc32)[C@H]1c1ccnn1C 834681529 BJQIVRBAYFDUTA-SJCJKPOMSA-N 356.430 1.422 0 50 FDAA CN(C[C@H]1OCC[C@H]1c1nc[nH]n1)S(=O)(=O)Cc1ccccc1F 952889559 HKRCJZMDEVKORT-TZMCWYRMSA-N 354.407 1.278 0 50 FDAA O=S(=O)(C1CCC(C(F)F)CC1)N1CCC(N2CCOCC2)CC1 1875290681 WTCZVENEYIEBEY-UHFFFAOYSA-N 366.474 1.937 0 50 FDAA O=C1[C@@H](N2C(=O)[C@@H]3C4CCC(CC4)N3C2=O)CCN1Cc1ccccc1 1875263676 OEKRGUQBGCUXFG-GQGLESIBSA-N 353.422 1.993 0 50 FDAA NC[C@@H]1C[C@H](F)CN1Cc1nc(O)c2cc(Br)ccc2n1 1875291394 XMYCVKSJTRLPSN-UWVGGRQHSA-N 355.211 1.969 0 50 FDAA C[C@@H](CN1CCOCC1)OC(=O)c1cc(Br)nc2n[nH]cc12 1875375565 DXELUPCZXHVIIZ-VIFPVBQESA-N 369.219 1.598 0 50 FDAA COCCn1nc2c(c1C(=O)NCc1n[nH]c(C)c1C)C[C@H](C)O[C@@H]2C 1875314808 UJSSTTKBGYTKFY-GXFFZTMASA-N 361.446 1.822 0 50 FDAA O=C(NCc1cn2ccsc2n1)N[C@H](CCc1ccncc1)C(=O)O 1875337472 VMYGEYIXJRFQAQ-CYBMUJFWSA-N 359.411 1.676 0 50 FDAA CC(=O)NCc1ccc(CNC(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)cc1 1875395184 PXRORVRYRDQIFB-NEPJUHHUSA-N 356.426 1.998 0 50 FDAA COc1ccc(Br)c2c1CCN(c1nc(=N)[nH]c(=N)[nH]1)C2 1875303246 HCLMLHXWYIFIGK-UHFFFAOYSA-N 351.208 1.031 0 50 FDAA N=S1(=O)CCC2(CC1)CN(C(=O)N[C@H]1C[C@H]3C=C[C@H]1CC3)CCO2 1875395822 MWYBKKULJKMUNC-USDJJEEASA-N 353.488 1.962 0 50 FDAA Cc1cnc2cc(C(=O)N3CC[C@](C)(NC(=O)c4cnc[nH]4)C3)ccn12 1875333946 QNFGLBQRQPEQIJ-SFHVURJKSA-N 352.398 1.400 0 50 FDAA Cc1nnc(N2C[C@@H]3C[C@H](NC(=O)c4ccc5nc[nH]c5c4F)[C@H]3C2)o1 1875405385 FICNSMXKOAUIKL-GAFUQQFSSA-N 356.361 1.648 0 50 FDAA CNC(=O)c1cccc(CCNC(=O)c2cn(C)nc2Br)c1 889122805 XWQNQOVXFXDGJC-UHFFFAOYSA-N 365.231 1.515 0 50 FDAA Cc1[nH]nc(-c2ccccc2)c1C(=O)N1CCO[C@@H](c2nnnn2C)C1 2100556920 KUVXBPQPZIAYLS-CYBMUJFWSA-N 353.386 1.122 0 50 FDAA CN(CC(=O)N1CCN2[C@@H](C3CC3)COC[C@H]2C1)Cc1ccccc1F 2100557459 TWAONYQPZGXEIE-IEBWSBKVSA-N 361.461 1.579 0 50 FDAA CCOC(=O)N1CCN(C[C@H](O)COCc2ccc(Cl)cc2)CC1 19867627 QPCJYNKAGOAZLO-INIZCTEOSA-N 356.850 1.992 0 50 FDAA NC(=O)CCCC(=O)N1CCN(C(=O)c2ccc(CC3CC3)cc2)CC1 2325868237 UACCMMKWQVHUOX-UHFFFAOYSA-N 357.454 1.579 0 50 FDAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2cccc(N3CCOCC3=O)c2)C1 2325888707 SNQDCQMGXOBSSO-CQSZACIVSA-N 357.410 1.413 0 50 FDAA CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc3c(c2)OCO3)C1 3007895 OVBQSDPVNITYDH-CYBMUJFWSA-N 354.428 1.093 0 50 FDAA COc1nc2ccccc2nc1CCC(=O)NC[C@@H](O)c1cccc(O)n1 2356136755 IAROJBWWHGJQHU-MRXNPFEDSA-N 368.393 1.521 0 50 FDAA COC(=O)c1ccc(S(=O)(=O)Nc2cnnn2C)cc1C(F)(F)F 225393363 ODFPJXVXCYHFIL-UHFFFAOYSA-N 364.305 1.421 0 50 FDAA Cc1ccc(C[C@H](C)NCC2CCN(c3cnn(C)c(=O)c3)CC2)nc1 23367919 QGRQTPKGTBDDBM-INIZCTEOSA-N 355.486 1.921 0 50 FDAA O=C(NCCCc1ccccn1)c1ccc(N2[C@H]3CC[C@@H]2CNC3)nc1 67935354 FSOJSBWOMNJNON-HDICACEKSA-N 351.454 1.780 0 50 FDAA CC(C)OCCCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccs1 55134026 AFDHOEXBWBPAHT-HNNXBMFYSA-N 353.488 1.370 0 50 FDAA CN1CCC(N2C(=O)N[C@](Cc3ccccc3)(C3CCNCC3)C2=O)CC1 67878513 CYDNOVVTZDKJPB-OAQYLSRUSA-N 370.497 1.614 0 50 FDAA O=S1(=O)CC[C@@H](NC2CCN(c3cccc(-n4cccn4)c3)CC2)C1 23431092 MNWNXRVCGIEKDH-MRXNPFEDSA-N 360.483 1.618 0 50 FDAA Cn1cc(C(N)=O)cc1C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 119820832 RSYASRXKSVHDNQ-ZDUSSCGKSA-N 357.385 1.998 0 50 FDAA Cc1cc(C(F)(F)F)nc(CNC(=O)c2ccc(S(N)(=O)=O)cc2)n1 20234108 MCJIOYTYIUQTST-UHFFFAOYSA-N 374.344 1.381 0 50 FDAA CNC(=O)c1cc2cc(NC(=O)c3ccc(S(C)(=O)=O)o3)ccc2[nH]1 473572042 PLQCKNISJSIARC-UHFFFAOYSA-N 361.379 1.776 0 50 FDAA C[C@@H](NC(=O)c1ccc(Cn2ccccc2=O)o1)c1nnnn1C1CC1 252508234 XHSMJVYYSDBOMK-LLVKDONJSA-N 354.370 1.302 0 50 FDAA O=C(c1n[nH]c2c1CCC2)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1 328631069 QNVPSWRBEDRXKS-INIZCTEOSA-N 368.441 1.502 0 50 FDAA O=C(c1cccnc1O)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1 328629343 ORUWKVIPBWZGAO-OAHLLOKOSA-N 355.398 1.391 0 50 FDAA CC1(Cn2cc(C(=O)N3C[C@@H](C(F)(F)F)OC(C)(C)C3)nn2)COC1 329275556 KUMKHRSUUYFCPH-NSHDSACASA-N 362.352 1.497 0 50 FDAA C[C@@H](C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)c1cccs1 329248789 ALUFHHUDRSPCPR-KGLIPLIRSA-N 372.512 1.505 0 50 FDAA Cc1nc(CC2CCN(C(=O)CSc3nnc(N)s3)CC2)no1 219890261 CMDLRRNVKMOXFE-UHFFFAOYSA-N 354.461 1.385 0 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COCCn1nc2c(c1C(=O)NCCC1(O)CCCC1)C[C@H](C)O[C@@H]2C 1875314466 AARIYFRLZUASPX-UONOGXRCSA-N 365.474 1.977 0 50 FDAA Cn1c(O)nnc1[C@@H]1[C@@H](C2CC2)CCN1C(=O)c1cc2n(c1)CCOC2 1875400942 DHYALUQJTOFZGR-CABCVRRESA-N 357.414 1.466 0 50 FDAA CO[C@@H]1CCCCN(CC(=O)NCCOc2ncccc2Cl)C1=O 886074691 OKZOIOJWYAODKM-CYBMUJFWSA-N 355.822 1.258 0 50 FDAA Cn1cnnc1C[C@]1(O)CCCN(Cc2ccc(N3CCCC3)nc2)C1 886088909 PIUCIAYXGGJUEL-LJQANCHMSA-N 356.474 1.380 0 50 FDAA COC1(CNC(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)CCC(C(F)F)CC1 888100178 SCRMOTJYSVIXMB-QZCIIZHISA-N 363.405 1.111 0 50 FDAA COc1cc(-c2cc(=NC(=O)c3cnc(C)nc3)[nH][nH]2)cc(OC)c1OC 2100482623 MJECVVYANXAIPG-UHFFFAOYSA-N 369.381 1.875 0 50 FDAA CN(C)Cc1ccc2c(c1)CCN(C(=O)Cc1nc3ncccn3n1)C2 2325803226 ZAFKPGBEWYODNN-UHFFFAOYSA-N 350.426 1.313 0 50 FDAA CC(C)C1=NO[C@H](C(=O)N[C@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)C1 2325842561 AUYXJADLKQRFLY-LRDDRELGSA-N 361.446 1.665 0 50 FDAA CCN(C)CC(=O)N(C)CCCN(C)C(=O)Cc1cc(C2CC2)on1 2325868367 XRPOWZMKRMQDJA-UHFFFAOYSA-N 350.463 1.353 0 50 FDAA CN(C)CC(=O)N(C)C[C@@H]1CCCCN1C(=O)c1cn2c(n1)CCCC2 2325868574 BNVOMMLVKDQWNX-HNNXBMFYSA-N 361.490 1.234 0 50 FDAA CN1CCn2nc(NC(=O)c3ccc(NCc4nccn4C)cc3)cc2C1 913771963 UOYTUSZILNGJSU-UHFFFAOYSA-N 365.441 1.926 0 50 FDAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(OC)c2)cc1 1143860 PFWMDDDFBROMRZ-UHFFFAOYSA-N 364.423 1.963 0 50 FDAA COC(=O)c1ccc(C(=O)OC)c(NC(=S)N2CCC[C@H](CO)C2)c1 2433462 BBTZNPGKJLSFKJ-NSHDSACASA-N 366.439 1.661 0 50 FDAA CN(C)CCCN1CCN(C(=O)c2ccc(-c3cncc(N)n3)cc2)CC1 2356142646 BCZBBPRAQQBKQK-UHFFFAOYSA-N 368.485 1.435 0 50 FDAA O=C(N[C@H]1CCc2c[nH]nc2C1)c1cc2c(s1)C1(CCNCC1)OCC2 2356147288 PPDOCVUOOMJMOE-AWEZNQCLSA-N 372.494 1.910 0 50 FDAA Cc1nc(NC(=O)[C@@H](c2ccccc2)n2cnnn2)sc1C(=O)N(C)C 2356156816 SGCUQCLVLFDJRK-GFCCVEGCSA-N 371.426 1.368 0 50 FDAA CN1CCC[C@]2(CCCN2S(=O)(=O)c2cc(C(=O)O)ccc2F)C1=O 2356169605 DUYRZBDCIYKKKH-INIZCTEOSA-N 370.402 1.299 0 50 FDAA CCCCc1nnc(NC(=O)[C@H](C)Sc2nc(N)cc(=O)[nH]2)s1 8580285 BOKHTMWGRNIIOY-ZETCQYMHSA-N 354.461 1.666 0 50 FDAA Cc1cc(=O)[nH]c(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)n1 9190777 CJWHVOSMZUBJBX-UHFFFAOYSA-N 362.430 1.658 0 50 FDAA CCOC(=O)c1cc(C(=O)n2nc(C)c(Br)c2C)nn1C 1009134 BMXWARPKSNNARP-UHFFFAOYSA-N 355.192 1.861 0 50 FDAA O=S(=O)(CCNCc1c[nH]nc1-c1ccc(F)cc1)N1CCCC1 55071278 UUZOLYZJQQDFBT-UHFFFAOYSA-N 352.435 1.731 0 50 FDAA CCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCN2CCN(C)C[C@@H]2C1 65422449 NLGZMDOIOXNTDU-CQSZACIVSA-N 364.877 1.760 0 50 FDAA Cc1ccc(OCc2cc(C(=O)N3CCN(C)[C@@H](CCO)C3)no2)cn1 67677299 LKJSSGHWLOOSFU-AWEZNQCLSA-N 360.414 1.096 0 50 FDAA CC1=C(C(=O)NCCc2csc(-c3ncccn3)n2)[C@@H](C)NC(=O)N1 67688860 WDBBDFHNQMRFNM-SECBINFHSA-N 358.427 1.234 0 50 FDAA CC(C)[C@H](NC(=O)Cc1noc2ccccc12)c1nnc2n1CCNCC2 67724034 JCTSDJWFEWIJGW-SFHVURJKSA-N 368.441 1.621 0 50 FDAA CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NCCn1cccc1 409413036 AGWOWGMVRAAPMM-UHFFFAOYSA-N 360.439 1.631 0 50 FDAA CN(C)c1cccc([C@H]2CCCN2C(=O)CCN2CCCS2(=O)=O)c1 172144570 WVYOCCIVKIFMNB-QGZVFWFLSA-N 365.499 1.842 0 50 FDAA CCOC(=O)C1=NN[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 1404759 DVBFBXSDQHIYIZ-NXEZZACHSA-N 355.272 1.086 0 50 FDAA Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(C(=O)C2(C)CCNCC2)C1 72408826 CMTSCORIHIWPHW-MRXNPFEDSA-N 374.533 1.507 0 50 FDAA O=C(O)c1ccc(O[C@@H]2COCC[C@H]2NC(=O)c2cc(C3CC3)n[nH]2)cc1 218929045 JPQRIWVMCBARPE-RHSMWYFYSA-N 371.393 1.952 0 50 FDAA COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)Cc1ccc(F)cc1F 328613093 QRTWNGVMIGFBAH-ZDUSSCGKSA-N 372.397 1.657 0 50 FDAA CCNC(=O)[C@H]1CN(Cc2c(-c3cc(C)on3)nn(C)c2Cl)CCO1 72436036 HVUKELJYFHOTOE-CYBMUJFWSA-N 367.837 1.374 0 50 FDAA O=C(NCc1csc(=O)[nH]1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 122878485 XPAAZHDUAGEJJM-UHFFFAOYSA-N 366.342 1.660 0 50 FDAA C[C@H](CC(=O)N1CCC[C@H](S(C)(=O)=O)CC1)NC(=O)c1ccccc1 253398242 ANMIFRBHNGPFOW-ZBFHGGJFSA-N 366.483 1.621 0 50 FDAA COc1cccc(C(=O)N2CCN(C(=O)c3cc(C)c(C)[nH]c3=O)CC2)c1 72462635 PYPKWOLKIPKITE-UHFFFAOYSA-N 369.421 1.599 0 50 FDAA Cc1c([C@@H]2CCCN2C(=O)c2cc(N3CCOCC3)ccn2)cnn1C 364142564 SXVJLSOLBYDTRP-SFHVURJKSA-N 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1.955 0 50 FDAA CC(C)(C)C(=O)Cn1cc(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)nn1 288688352 AJFRTNWZSKPBBP-UHFFFAOYSA-N 369.385 1.224 0 50 FDAA COC(=O)NCC(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccncc3)C2)C1 82166537 YISZFFVXVYHPII-IBGZPJMESA-N 374.441 1.169 0 50 FDAA CC(=O)N1CC2(CCN(C(=O)Cc3cccc(O)c3)CC2)C[C@@H]1C(=O)O 82106348 FGIFUZBELZCFHI-MRXNPFEDSA-N 360.410 1.249 0 50 FDAA Cc1noc(C)c1CN1CC[C@@H](NC(=O)Cc2ccccc2F)[C@H](O)C1 426370484 MNNHSZGVTHJLPV-QZTJIDSGSA-N 361.417 1.725 0 50 FDAA COc1ccc(CCN2C(=O)N[C@H](CCC(=O)N3CCCC3)C2=O)cc1 223226179 PCRXBBMUOOQBSS-MRXNPFEDSA-N 359.426 1.561 0 50 FDAA O=C1C[C@]2(CCN(C(=O)C3(c4ccc(F)cc4)CCOCC3)C2)C(=O)N1 82097590 SRQRBNDKZABACU-SFHVURJKSA-N 360.385 1.139 0 50 FDAA NCc1nnc(SC[C@@H]2CCCS(=O)(=O)C2)n1Cc1ccccc1 426514847 PJGKPVDRQYFREJ-AWEZNQCLSA-N 366.512 1.702 0 50 FDAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccc(F)c(F)c1)C2 91289218 KADGEFVLUSYLFJ-ZIAGYGMSSA-N 359.442 1.667 0 50 FDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C[C@@H](C)C(F)(F)F)CC2 91519217 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Cn1cc(N2CCC[C@H](N3C(=O)[C@@H]4C[C@@H]5CCCC[C@@H]5N4C3=O)C2=O)cn1 272057707 CDJADIJVODTIBV-TUUVXOQKSA-N 371.441 1.511 0 50 FDAA Cc1cc(CC(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)n[nH]1 275406689 BLHAZVHKZDSLED-MRXNPFEDSA-N 355.442 1.936 0 50 FDAA CN1C(=O)CCc2cc(C(=O)NS(=O)(=O)C[C@H]3CCCCO3)ccc21 408093453 VSOJZFFEHBTZJZ-CQSZACIVSA-N 366.439 1.224 0 50 FDAA O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc2[nH]nnc2c1 192212248 JDNFFHVJUANSBC-HNNXBMFYSA-N 353.357 1.628 0 50 FDAA CNS(=O)(=O)c1ccc(N[C@H]2CCO[C@@H]2c2cnn(C)c2)c(F)c1 192920310 NBWLKCLFFRAGQY-LSDHHAIUSA-N 354.407 1.409 0 50 FDAA CN(Cc1nc2ccc(F)cc2[nH]1)c1nc2c(c(O)nc(=O)n2C)n1C 1506414404 PKSOZOFDOVEIMM-UHFFFAOYSA-N 357.349 1.024 0 50 FDAA COC[C@H]1CCCN(S(=O)(=O)N2CCN(c3ccccc3F)CC2)C1 1506401348 IYGVPEXFTIJEJY-HNNXBMFYSA-N 371.478 1.551 0 50 FDAA Cc1ccsc1[C@H]1CCN(C(=O)CCN2CCCN(C)CC2)C[C@@H]1O 212126897 UDPDHRKQYAINFI-IRXDYDNUSA-N 365.543 1.761 0 50 FDAA CN1CCN(S(=O)(=O)c2ccc3nc(O)oc3c2)CC12CCOCC2 1800411084 DZHSODAGBJCIEM-UHFFFAOYSA-N 367.427 1.019 0 50 FDAA CCn1ccc(C(=O)N2C[C@H](c3cccc(OC)c3OC)[C@@H](C(=O)O)C2)n1 219822750 YBVMOOINOLQNPC-KGLIPLIRSA-N 373.409 1.861 0 50 FDAA O=C(CCn1cccn1)N1CC[C@](Cc2ccccc2)(C(=O)O)[C@H](O)C1 1704310011 WDCUUKHJJJGQEH-VQIMIIECSA-N 357.410 1.180 0 50 FDAA COc1ncccc1C(=O)N1CCCN([C@@H](C)CCn2cccn2)CC1 1772816839 VKIOALNSYYUIAK-INIZCTEOSA-N 357.458 1.913 0 50 FDAA CCOC(=O)C1CCN(C(=O)c2cn(CCN3CCCCC3)nn2)CC1 11813374 JEMIYVVQCQPTSB-UHFFFAOYSA-N 363.462 1.179 0 50 FDAA CCN(CCn1cccn1)[C@H]1CN(C(=O)Nc2ccccc2C)C[C@@H]1O 12431906 GROSOYSAKULYOI-ROUUACIJSA-N 357.458 1.791 0 50 FDAA COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 13479194 DSMNGWOUQMYTJH-MBPVOVBZSA-N 355.434 1.828 0 50 FDAA in-vitro CNC(=O)Cc1nc(-c2cccc(-c3ncc[nH]3)c2)n(-c2ccnn2C)n1 1857737401 KTBSBNVTVHJGKG-UHFFFAOYSA-N 362.397 1.346 0 50 FDAA Cn1ccnc1CNC(=O)[C@H]1CC(=O)N(c2nc3ccccc3s2)C1 1857740334 NVIKCLKDWVOPLH-NSHDSACASA-N 355.423 1.699 0 50 FDAA CCn1ncnc1CN1CC[C@@H](O)[C@](CCCc2ccccc2)(C(=O)O)C1 1875241576 XIYRJRBOEFZWFW-YLJYHZDGSA-N 372.469 1.959 0 50 FDAA C[C@@H]1C[C@@H](NC(=O)c2c[nH]nc2[C@H]2CCOC2)C(=O)N1c1ccccc1 332996289 DIYWCYLONFNGNJ-DVOMOZLQSA-N 354.410 1.837 0 50 FDAA O=C1[C@@H](NC(=O)N2C[C@H]3CC[C@H]2CN3)CCN1c1ccc(Cl)c(F)c1 333868275 UCTFQCNJVFPPBE-GMXABZIVSA-N 366.824 1.730 0 50 FDAA COc1ccc(C)cc1N1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2C(N)=O)CC1=O 239722399 CCQDTEVKEOCNSG-RBSFLKMASA-N 373.453 1.517 0 50 FDAA CN[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3S(C)(=O)=O)c2)C1 133591591 WUPGUMYVFKXHPH-CQSZACIVSA-N 362.455 1.100 0 50 FDAA C=CC(=O)N(CC)CC(=O)N[C@H](c1noc(C)n1)c1ccccc1OC 900714035 QZCDOJZNNIVCEH-KRWDZBQOSA-N 358.398 1.627 0 50 FDAA CC(C)[C@H](NC(=O)Nc1nc(-c2ncc(Cl)n2C)cs1)C(N)=O 824502141 GNDZAFFWXPETAT-VIFPVBQESA-N 356.839 1.828 0 50 FDAA COC(=O)[C@H](NC(=O)[C@H](C)n1cncn1)c1cccc(C(F)(F)F)c1 832637284 DVBGNGKPMWONBM-JOYOIKCWSA-N 356.304 1.888 0 50 FDAA CCc1[nH]nc(Cl)c1C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 862789385 NHAAZBVWRHOGFL-SECBINFHSA-N 360.809 1.072 0 50 FDAA Cn1cc(C(N)=O)c([C@@H]2CCCN(C(=O)c3ncc4c(F)cccn34)C2)n1 1875268639 GUDAFFBCBIBSLG-LLVKDONJSA-N 370.388 1.326 0 50 FDAA CCOc1cc(C(=O)N2CCC3(CCN(C(=O)c4cocn4)CC3)C2)[nH]n1 1875361931 INAAEPZPSVMGBF-UHFFFAOYSA-N 373.413 1.565 0 50 FDAA C=CC(=O)N(Cc1cnn(-c2cc(C)cc(C)c2)n1)C[C@@H]1COCCO1 1875385965 GECJGHXKXQECPD-GOSISDBHSA-N 356.426 1.814 0 50 FDAA CN1C[C@@H](O)[C@H](CC(=O)N2CCC(OCCOc3ccccc3)CC2)C1 1875401030 QWOVLVJSTPVLGI-VQIMIIECSA-N 362.470 1.386 0 50 FDAA COCCN1C(=O)CCc2cc(NC(=O)c3cn(C)nc3OC)ccc21 883968087 NOQNVPNFLBXHEU-UHFFFAOYSA-N 358.398 1.607 0 50 FDAA Cc1nc2cc(C(=O)N3CCC[C@@](O)(Cc4nncn4C)C3)ccc2o1 886085015 USFWOFKOCFRNAG-GOSISDBHSA-N 355.398 1.475 0 50 FDAA CN(C)c1cccc([C@@H]2CCCN2C(=O)Cn2ncn3nccc3c2=O)c1 1318667978 OHFUUQJJWWDUPA-INIZCTEOSA-N 366.425 1.321 0 50 FDAA O=C(CCCn1cccn1)N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O 2325785720 KPBSVNWQQBPKPK-BPLDGKMQSA-N 351.838 1.469 0 50 FDAA CO[C@@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CO3)CCc2ccccc21 2325791365 SPYNXDWIOCRVMR-MRXNPFEDSA-N 353.378 1.799 0 50 FDAA CNC(=O)Cc1cccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)c1 2325870802 QBBHHHOLLGPUDH-UHFFFAOYSA-N 350.382 1.132 0 50 FDAA COc1ccccc1N1CCN(c2nc3ccccn3c(=O)c2C=O)CC1 727939 IHZYZBLXXGNDMS-UHFFFAOYSA-N 364.405 1.842 0 50 FDAA CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1 1088058 SPCVBORNGIRJOU-KBPBESRZSA-N 368.411 1.341 0 50 FDAA CCOCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1 2520837 NUMOXOUBJYMDJB-UHFFFAOYSA-N 372.425 1.092 0 50 FDAA O=C1NCCC[C@@]12CCCN2S(=O)(=O)c1cccnc1C(F)(F)F 2356155421 GHDMXVVZXSDQSO-CYBMUJFWSA-N 363.361 1.534 0 50 FDAA O=C([C@@H]1CCc2ncnn2C1)N1CCC2(CC1)OCCc1sccc12 2356156574 IQQLVKLJDUIXGQ-CYBMUJFWSA-N 358.467 1.993 0 50 FDAA CCC(CC)[C@@H](C(=O)NCCCN1CCCO[C@H](C)C1)N1CCOCC1 225462357 DHTATQQFEKFZSJ-MJGOQNOKSA-N 369.550 1.741 0 50 FDAA CC(C)n1cnnc1CNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 112293048 UHJVZRUVPOJBBT-MRXNPFEDSA-N 355.442 1.709 0 50 FDAA CCc1ccc(CN(C)[C@H]2CN(C(=O)c3ccc(OC)cc3)C[C@@H]2O)nc1 12435684 KJBZVGVDXKPEBC-PMACEKPBSA-N 369.465 1.970 0 50 FDAA COCC(=O)N1CCCN(C(=O)Nc2ccc(F)c(NC(C)=O)c2)CC1 102541513 NLTXVAHJXAJQAI-UHFFFAOYSA-N 366.393 1.497 0 50 FDAA COC(=O)[C@@H](C)CN(C)C(=O)c1cc(I)c[nH]1 115384096 NTBZGZVNUNYOEO-ZETCQYMHSA-N 350.156 1.500 0 50 FDAA Cc1cc(N2CCN3CCN(C)C(=O)[C@H]3C2)nc(-c2ccccc2O)n1 106709832 RDNATYUXFJXZNX-OAHLLOKOSA-N 353.426 1.120 0 50 FDAA O=C(NCc1cn2c(n1)SCC2)[C@H]1CC(=O)N(c2cccc(O)c2)C1 102535457 ZGLPHXUUIGHGMD-NSHDSACASA-N 358.423 1.364 0 50 FDAA Cc1nc(CCN2C[C@H](C)O[C@H](C)C2)n(-c2ccc3c(c2)OCCO3)n1 63884520 QVBMXZBFYZGRJH-OKILXGFUSA-N 358.442 1.999 0 50 FDAA CCOc1ccc(CN2C[C@H](O)C[C@H]2C(=O)OC)cc1COC(C)=O 63845742 FHYROGVRLZPGOY-CVEARBPZSA-N 351.399 1.257 0 50 FDAA CC(C)CC(=O)N[C@H](C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1)c1ccccc1 229882437 CLLUTTCMHCKNNC-VYDXJSESSA-N 361.442 1.039 0 50 FDAA CCc1cn[nH]c1C1CCN(C(=O)c2cnc3c(O)cccn3c2=O)CC1 67677596 XQXAAEXSDJYJOY-UHFFFAOYSA-N 367.409 1.705 0 50 FDAA Cc1cc(C(=O)N2CCC[C@@H](N(C)Cc3noc(C)n3)CC2)nc(C)n1 328638949 PGPCTJNMBVJFKO-OAHLLOKOSA-N 358.446 1.912 0 50 FDAA Cc1cc(CN2C[C@@H](F)C[C@H]2CNS(=O)(=O)N2CCC(C)CC2)on1 329052092 HHUFNVLBDVWFMR-GJZGRUSLSA-N 374.482 1.462 0 50 FDAA Cc1ccccc1OC[C@@H](O)C(=O)N1CCN(C2CCCCC2)C(=O)C1 216960923 UQQFCEBYRBDZPQ-QGZVFWFLSA-N 360.454 1.738 0 50 FDAA CC(C)CCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCc4n[nH]cc4C2)[C@H]3C1=O 77337250 JJIDONZCGCRTBV-BOSXTWCSSA-N 370.453 1.123 0 50 FDAA C[C@H]1CN(C2CCN(C(=O)[C@H]3Cc4ccccc4CN3)CC2)C[C@@H](C)O1 77321204 RJJQRFBBEMXUSS-GQIGUUNPSA-N 357.498 1.801 0 50 FDAA CNc1cc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCN(C)C)C3)C2)ccn1 72447484 JFSMKKDANDBMGO-FQEVSTJZSA-N 373.501 1.530 0 50 FDAA O=C(NCCn1cccn1)[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 219884628 JITPFJUQRHTWFH-GFCCVEGCSA-N 353.348 1.940 0 50 FDAA CN(CCc1ccccn1)Cc1cc2n(n1)CCN(c1ncc(F)cn1)C2 72423949 JPXZKRNEZMCAGK-UHFFFAOYSA-N 367.432 1.902 0 50 FDAA N[C@@H]1c2ccccc2C2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)[C@H]1O 72157921 DRPGGYDANFWHDX-MOPGFXCFSA-N 366.417 1.964 0 50 FDAA C[C@@H]1CN(C)c2ccccc2CN1C(=O)c1cn(C2CCNCC2)nn1 237499440 SKFJTBYNJPTXQJ-CQSZACIVSA-N 354.458 1.683 0 50 FDAA COc1ccc(C(=O)NCCNc2cc(-n3ccnc3C)ncn2)cc1 72434175 LMWPDJYIYNQTKA-UHFFFAOYSA-N 352.398 1.821 0 50 FDAA COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C(=O)c1ccnn1C)CC2 262781195 MFONMMPMVISVHX-CQSZACIVSA-N 359.382 1.652 0 50 FDAA COCCN1C[C@]2(CCCN(C(=O)c3sc(N)nc3C)C2)CCC1=O 77505701 GFJGWIPVKLRSMY-KRWDZBQOSA-N 366.487 1.525 0 50 FDAA CCSCCN1CCC[C@@H](c2nnc(CN3CCOCC3)n2C)C1 72409573 DIUAAAZVDKLSLJ-OAHLLOKOSA-N 353.536 1.580 0 50 FDAA Cc1ccc(CN2CCN(C(=O)N(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1C 77376192 YVYPRCYMHLVXIQ-DLBZAZTESA-N 365.499 1.268 0 50 FDAA CN1CCC[C@@]2(CCN(C(=O)c3ccc(C(F)(F)F)[nH]c3=O)C2)C1=O 219560024 IEKVQLDYECCIGU-HNNXBMFYSA-N 357.332 1.478 0 50 FDAA O=C(O)C[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CCO1 262458253 UZAMYZXRMCPTIJ-FZMZJTMJSA-N 366.801 1.395 0 50 FDAA CNc1ncccc1C(=O)N1CCc2c(nc(N(C)C)nc2N(C)C)C1 71763704 ILRAUODORSKJAH-UHFFFAOYSA-N 355.446 1.244 0 50 FDAA Cc1cccc(Cl)c1S(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1 416391703 SWMPHPIBDOYULL-CYBMUJFWSA-N 373.906 1.514 0 50 FDAA CN(Cc1ccncc1)C(=O)C(=O)NCc1cccc(Cn2ccnc2)c1 241588558 PEBDXQUDILHIBE-UHFFFAOYSA-N 363.421 1.601 0 50 FDAA O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1sccc1Cl 285407765 FOPAJFWEXAUQSD-NSHDSACASA-N 357.863 1.064 0 50 FDAA CCOC(=O)c1cnc2c(c(C)nn2CC)c1NCCN1CCOCC1 20219274 QMIMQPBZUFLTON-UHFFFAOYSA-N 361.446 1.680 0 50 FDAA Cc1cc(Cl)cc(Cl)c1CNC(=O)N1CCN2CCNC(=O)[C@H]2C1 426370081 SOFYMCZVILUPCC-CQSZACIVSA-N 371.268 1.627 0 50 FDAA Cc1ncsc1CCC(=O)N1CCCO[C@@H](CN2CCOCC2)C1 82161490 ANKKIYXPSWZZKV-HNNXBMFYSA-N 353.488 1.334 0 50 FDAA CN(C)C(=O)CO[C@@H]1COCC[C@H]1NC(=O)Cc1cn(C)c2ccccc12 223546936 YVSGZSDUECPNFC-SJLPKXTDSA-N 373.453 1.099 0 50 FDAA Cc1noc([C@@H]2CCCCN2C(=O)c2ccc(-n3cnnn3)cc2O)n1 221433170 WQGDFUGZDNTLNP-ZDUSSCGKSA-N 355.358 1.427 0 50 FDAA CNc1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(N)=O)cc2)ccn1 222362825 CSXMQWLJAJTAPH-HZPDHXFCSA-N 370.409 1.189 0 50 FDAA O=C([C@H]1CCCO1)N1CCN(Cc2ccccc2N2CCOCC2)CC1 161023343 MAFQBHAPKRUSCH-LJQANCHMSA-N 359.470 1.346 0 50 FDAA Cc1cc(S(=O)(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)n(C)n1 223731085 REQRZPMDNBTYLO-CVEARBPZSA-N 365.455 1.381 0 50 FDAA Cc1nc(O)nc(C)c1CCC(=O)N[C@@H]1CCCN(c2ncccn2)C1 223357316 VBQWOSAJZBNHSN-CQSZACIVSA-N 356.430 1.307 0 50 FDAA Cn1ncnc1CCNC(=O)N1CCC(C(=O)NCc2ccccc2)CC1 426479746 MJAGFUNVWTXEPZ-UHFFFAOYSA-N 370.457 1.096 0 50 FDAA CN(Cc1ccccc1)S(=O)(=O)N1CCC2(CC1)OCCC[C@@H]2O 91756852 NDPAZVVTBIJZET-INIZCTEOSA-N 354.472 1.369 0 50 FDAA C[C@@]1(C(=O)N2CCC3(CCC(=O)N(CCc4c[nH]cn4)C3)CC2)CCCO1 91603713 DMKUZDHMRDAWSM-IBGZPJMESA-N 374.485 1.753 0 50 FDAA Cn1nnc(-c2ccc(NC(=O)N3CCN(Cc4ccco4)CC3)cc2)n1 96142083 CPYCMSRRBXPPSX-UHFFFAOYSA-N 367.413 1.820 0 50 FDAA CN1CCc2nc[nH]c2C12CCN(C(=O)Cn1nc3ccccc3n1)CC2 91410310 UXMRORUECQNELX-UHFFFAOYSA-N 365.441 1.160 0 50 FDAA CSc1ncc(CN2CCn3nc(CNc4ncccn4)cc3C2)cn1 426421898 OLSUGAVFIKXRSV-UHFFFAOYSA-N 368.470 1.813 0 50 FDAA NC(=O)Cn1ccnc1C1CCN(C(=O)Cc2noc3ccccc23)CC1 96151629 YZHPIDPOVBYOEP-UHFFFAOYSA-N 367.409 1.458 0 50 FDAA CSc1ccccc1[C@@H](C(=O)O)N1CCN(C(=O)c2nc[nH]n2)CC1 95354701 MMFNTXQADWLCLS-ZDUSSCGKSA-N 361.427 1.110 0 50 FDAA Cc1cnc(C)c(N2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)n1 95381501 SRAFTKITQSCUKA-OAHLLOKOSA-N 352.446 1.851 0 50 FDAA COc1ccc2c(c1)cc(C(=O)NCCCc1nonc1C(=O)O)n2C 95511780 AVLOBERLCCTSRG-UHFFFAOYSA-N 358.354 1.631 0 50 FDAA CCN(CCN1CCOCC1)C(=O)c1cc(-c2ccc(OC)cc2)n[nH]1 91656320 LKEWKNLDURVYBJ-UHFFFAOYSA-N 358.442 1.880 0 50 FDAA Cc1nc2ccccc2n(CC(=O)N(C)Cc2nc(CC(C)C)no2)c1=O 95518894 LHTRAVNFFXNNGB-UHFFFAOYSA-N 369.425 1.945 0 50 FDAA O=C(O)c1ccc(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)cc1 95517820 SWXCUMYAFOQJDB-MRXNPFEDSA-N 367.405 1.487 0 50 FDAA CSc1ccc2c(c1)CCN(C(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C2 95377364 RWEUTMCDOGDDMS-INIZCTEOSA-N 361.511 1.703 0 50 FDAA Cn1c(Cn2ccnc2)nnc1[C@H]1CCCN(C(=O)CSCC2CC2)C1 95371784 SKFVWPNTNXVCHH-HNNXBMFYSA-N 374.514 1.909 0 50 FDAA O=C(NCCS(=O)(=O)N1CCCC1)Nc1cccc(-c2cnco2)c1 95523179 JKWCHAGGFOWOIJ-UHFFFAOYSA-N 364.427 1.889 0 50 FDAA 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CN(C)CC1(NC(=O)c2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCC1 1321635584 LAEBADLXUJHDDT-INIZCTEOSA-N 358.486 1.602 0 50 FDAA CCN(C)Cc1cc(O[C@H]2CCN(Cc3cnc(C)[nH]c3=N)C2)ccn1 2325809292 YSWHKDVRFDJZTE-SFHVURJKSA-N 356.474 1.698 0 50 FDAA Cc1cc2ccc(C(=O)N(C)CCN(C)[C@@H](C)c3nnnn3C)cn2c1 2325860774 UCGKHLCXFDLYRK-AWEZNQCLSA-N 355.446 1.536 0 50 FDAA O=C(CCC(F)(F)F)NCC[C@@H]1CCN(C(=O)CC2OCCO2)C1 2325860867 XOMRHIXRIXNBOD-LLVKDONJSA-N 352.353 1.447 0 50 FDAA O=C(NC1CC(O)C1)c1ccc(-n2cc(CC3(CO)CCC3)nn2)cc1 2325869696 YFCKCTGICAYHEA-UHFFFAOYSA-N 356.426 1.226 0 50 FDAA C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc3cccnc3c2)C1)N(C)C 2325871602 RNEJJNDTTQQVHW-HUUCEWRRSA-N 354.454 1.763 0 50 FDAA CC1=NNc2nc3c(c(=O)n(Cc4cccc(C)c4)c(=O)n3C)n2[C@@H]1C 8704238 MDNQJIWCJXRMHL-GFCCVEGCSA-N 352.398 1.616 0 50 FDAA O=C(CCCn1nnnc1CN1CCOCC1)NCCC1=CCCCC1 23130506 BBNQDHWNMQCZAW-UHFFFAOYSA-N 362.478 1.292 0 50 FDAA COc1cccc2c1OC[C@H](C(=O)N1CCC(Cc3nncn3C)CC1)C2 55088755 FNMZLVYOMVLPRM-MRXNPFEDSA-N 370.453 1.856 0 50 FDAA 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1.538 0 50 FDAA CCc1nc2ccccc2n1CCC(=O)N1C[C@]2(C(=O)O)C[C@]2(C(=O)O)C1 1704312040 XRLKNMDBPVLAKR-KDURUIRLSA-N 371.393 1.377 0 50 FDAA Cc1cc(N2CCCN(C(=O)c3cccc4c3OCCO4)CC2)nc(N)n1 1772805758 RTYKXXVORUDMLK-UHFFFAOYSA-N 369.425 1.491 0 50 FDAA CCCCNC(=O)N1CCC(N2CCC[C@H](C(=O)NC3CC3)C2)CC1 11944355 SZKMLZLDKRWTHR-HNNXBMFYSA-N 350.507 1.951 0 50 FDAA COc1ccc(C(=O)N2CCC[C@@H](CCC(=O)N3CCOCC3)C2)o1 11998721 VOMYWDUTKBQBIX-AWEZNQCLSA-N 350.415 1.779 0 50 FDAA Cc1cc(C)cc(CCC(=O)N2CC[C@@H](N3CCC(O)CC3)[C@H](O)C2)c1 12459361 MVACVKVSRKUSIB-WOJBJXKFSA-N 360.498 1.655 0 50 FDAA COc1ccc(S(=O)(=O)NCc2ccncc2)cc1C(=O)NC(C)C 16626791 QOTWRMMWFQNATG-UHFFFAOYSA-N 363.439 1.707 0 50 FDAA CCN(Cc1c(C(=O)N2CCOCC2)nc2ccccn12)C[C@@H]1CCCO1 19225010 PKXCZJILRMRPOS-INIZCTEOSA-N 372.469 1.808 0 50 FDAA O=C(NC[C@@]12CCC[C@@H]1CN(c1ccc3nnnn3n1)C2)C1(F)CCCC1 1857527259 ZBMBDSUADVEAKJ-CXAGYDPISA-N 373.436 1.524 0 50 FDAA O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@H]1CCc2ncnn2C1 1857714655 GDPSMLSBYDWNIU-AWEZNQCLSA-N 358.417 1.844 0 50 FDAA Cn1c(=O)c(C(=O)N2C[C@@H](O)[C@H](Cc3cnccn3)C2)cc2ccccc21 1857718504 XFMWSRDQTFWPOX-RDTXWAMCSA-N 364.405 1.004 0 50 FDAA COc1cccc2c1OCC(CN1CCC3(CC1)CNC(=O)CCO3)=C2 1857734797 RWZGKGSUVXKBJE-UHFFFAOYSA-N 358.438 1.842 0 50 FDAA Cc1oc(-c2ccccc2)nc1CC(=O)N1C[C@H]2COC[C@@H](C1)C(=O)N2 1875248768 NDBOKRHQNHBESM-CABCVRRESA-N 355.394 1.166 0 50 FDAA Cc1cnc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2c(C)noc2C)cn1 216579884 AONVKQZDOMTYNG-CABCVRRESA-N 369.425 1.653 0 50 FDAA CCn1nc(C)cc1C(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1ccncc1)C2 247837972 NZTYQTVXGMMEEN-WBVHZDCISA-N 367.453 1.983 0 50 FDAA CN(Cc1nnnn1C1CC1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 155522553 DXEIYEDYYKFICD-GFCCVEGCSA-N 353.835 1.622 0 50 FDAA O=C(Cc1cccs1)NC[C@@H]1CN(C(=O)Cc2cccs2)CCO1 871460939 DWWNNYSEBQOHED-CYBMUJFWSA-N 364.492 1.938 0 50 FDAA CN1C[C@@H](NC(=O)Cc2ccc3c(c2)CCCO3)[C@H](c2cncn2C)C1 952885791 AHFWYJXFKCHJAR-IAGOWNOFSA-N 354.454 1.502 0 50 FDAA Cc1ccc2c(c1)C[C@@H](C(=O)N[C@H]1Cc3ccccc3NC1=O)S2(=O)=O 1875284575 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Cc1noc(C[C@@]2(O)CCCN(CC(=O)N(C)Cc3ccccc3)C2)n1 888076765 AUSLGKMXJUPJIH-IBGZPJMESA-N 358.442 1.406 0 50 FDAA COCCC(=O)N[C@@H]1CCC[C@@H](CN2CCN(c3nonc3C)CC2)C1 2100484031 ZUXMPIPFEBOLBG-HZPDHXFCSA-N 365.478 1.212 0 50 FDAA O=C(Cc1n[nH]c(-c2cncc(Br)c2)n1)NCc1ccncc1 32605306 VUBORQMWVBEUEB-UHFFFAOYSA-N 373.214 1.883 0 50 FDAA CN1CCC(n2cc(NC(=O)c3nn(C)c4ccccc4c3=O)cn2)CC1 2325760339 UVMBUXOQIUQXFP-UHFFFAOYSA-N 366.425 1.649 0 50 FDAA CS(=O)(=O)[C@H]1C[C@@]1(CN)C(=O)N1[C@H]2CC[C@H]1CC(CC(F)F)C2 2325768788 OSIUWTJLOYHWSC-ASHKBJFXSA-N 350.431 1.173 0 50 FDAA O=C(c1ccn2c(O)nnc2c1)N1CCN(c2cccc(F)c2F)CC1 2325879348 REQOJKZDDDLSKP-UHFFFAOYSA-N 359.336 1.676 0 50 FDAA Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(N)=O)cc2)cc1 657336 WLTRUXYBPWWKQX-UHFFFAOYSA-N 361.423 1.353 0 50 FDAA NC(=O)C1CCN(C(=O)[C@H]2CC(c3c(F)cccc3Cl)=NO2)CC1 814884 GWRAVMCYUNGSCX-CYBMUJFWSA-N 353.781 1.696 0 50 FDAA NC(=O)CN1C(=O)[C@](O)([C@@H]2CCc3ccccc3C2=O)c2ccccc21 2881454 SHSGWSWSKKYRHN-FOIQADDNSA-N 350.374 1.151 0 50 FDAA COC(=O)[C@H]1CCCN1C(=O)c1cc2c(s1)C1(CCNCC1)OCC2 2356146860 XXQLJVHFWIBZCQ-CYBMUJFWSA-N 364.467 1.677 0 50 FDAA Cc1ncc(C(=O)N2CCO[C@@H](c3nnnn3C)C2)c(-c2ccccc2)n1 2356148796 SEVGWURPULYVKL-OAHLLOKOSA-N 365.397 1.189 0 50 FDAA CS(=O)(=O)N(CC(=O)NCCSc1ccccn1)c1ccccc1 6208070 NRWLMXLPKKNADB-UHFFFAOYSA-N 365.480 1.756 0 50 FDAA Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2cccnc2)cc1 7499595 GFPYJKDWPUIQBD-QGZVFWFLSA-N 359.451 1.860 0 50 FDAA CCS(=O)(=O)N1CCC[C@@H](C(=O)N(C)Cc2ccccc2OC)C1 58032446 VVMJEYOMQKIFDF-OAHLLOKOSA-N 354.472 1.715 0 50 FDAA CNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1OC 10008774 YUXVXEOTRISWEU-UHFFFAOYSA-N 350.396 1.864 0 50 FDAA COc1ccc(OCc2nc(C(=O)N3C[C@H](O)[C@@H](N(C)C)C3)co2)cc1 67983556 IPGGMUDDVHKQCV-HOTGVXAUSA-N 361.398 1.009 0 50 FDAA O=C(CSc1ncccn1)N1CCN(C2Cc3ccccc3C2)CC1 67435279 RQMIWFRWNLHJOE-UHFFFAOYSA-N 354.479 1.880 0 50 FDAA Cc1nn2cc(CNC(=O)c3cc4n(n3)CCCN(C(C)C)C4)nc2s1 65531193 NWPHFHMARSOGRI-UHFFFAOYSA-N 373.486 1.840 0 50 FDAA CCCc1cc(C(=O)NC[C@H](c2ccncc2)N2CCOCC2)n(C)n1 77287525 VDAYMQNNYRTWOP-GOSISDBHSA-N 357.458 1.571 0 50 FDAA O=C(Cn1cccnc1=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 65432705 PIOUFDGDBKQFIE-RBUKOAKNSA-N 363.417 1.774 0 50 FDAA CC[C@@]1(C2CCN(Cc3ccc(O)c(C(=O)O)c3)CC2)NC(=O)NC1=O 67588508 PBAQQALOWGRQLP-SFHVURJKSA-N 361.398 1.291 0 50 FDAA Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCO[C@@H](C(F)(F)F)C2)n(C)n1 71777005 BCPBSRQRODZMCZ-CYBMUJFWSA-N 371.363 1.841 0 50 FDAA CCNC(=O)CN1CCN(Cc2cnc(-c3ccc(OC)cc3)nc2)CC1 72158898 BFNVIHSFVFDUOQ-UHFFFAOYSA-N 369.469 1.406 0 50 FDAA CN1CC2(CCNCC2)C[C@H]1C(=O)NC1CCN(C(=O)c2ccco2)CC1 72422493 CUNHAYZSWZVQHQ-INIZCTEOSA-N 374.485 1.074 0 50 FDAA Cc1nnnn1-c1cccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)c1 77522459 LUKKMDSDLVZEJR-UHFFFAOYSA-N 368.441 1.445 0 50 FDAA CCC1(CC)CN(C(=O)C[C@@H]2C(=O)NCCN2Cc2ccoc2)CCO1 72140324 PAIGAOQKOKPXCS-MRXNPFEDSA-N 363.458 1.388 0 50 FDAA CNC(=O)c1cc2cc(N[C@H]3CCN(c4cnn(C)c4)C3=O)ccc2[nH]1 366506132 RFDJLCAURMXCIX-HNNXBMFYSA-N 352.398 1.478 0 50 FDAA Cc1cc(NC(=O)CN(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)no1 328621475 ANIOGUBOMDUSRW-KBXCAEBGSA-N 360.462 1.670 0 50 FDAA O=C(OC[C@H]1CCCCN1S(=O)(=O)c1cccnc1)N1CCOCC1 367530131 AJYWEMITHSVTLU-CQSZACIVSA-N 369.443 1.094 0 50 FDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F)NCC1CC1 72146863 BQWWESNBYUIXPF-OAHLLOKOSA-N 369.387 1.922 0 50 FDAA Cc1nnsc1CNC(=O)Cn1nc(C)n(CCc2ccccc2)c1=O 77343567 DMFNMUCWBKIPJR-UHFFFAOYSA-N 372.454 1.072 0 50 FDAA Cn1c(CN2CCC(O)CC2)nnc1C1CCN(Cc2ccncc2)CC1 77406219 ZUDZUEVYZZBMIT-UHFFFAOYSA-N 370.501 1.546 0 50 FDAA CCNC(=O)c1cccnc1N1CCN(c2ccc(C(=O)OC)cc2)CC1 32577557 UVMVLDLRDUTQRA-UHFFFAOYSA-N 368.437 1.945 0 50 FDAA CCCNc1ncc(CN2CCOC[C@@H]2CC(=O)Nc2cccnc2)cn1 72432745 BMVKZTZRVAWFFT-KRWDZBQOSA-N 370.457 1.923 0 50 FDAA O=C1COc2c(F)cc(-n3ccnc3-c3cc4n(n3)CCNC4)cc2N1 72456939 MDILCPALSRCPRT-UHFFFAOYSA-N 354.345 1.309 0 50 FDAA COc1ccc(S(=O)(=O)NCCNC(=O)c2cnn(C(C)C)c2)cc1 77387196 ANPATIXWYYBICE-UHFFFAOYSA-N 366.443 1.181 0 50 FDAA COC(=O)CCN1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 72121611 PQPAJBNLAXUUMB-CWFSZBLJSA-N 358.438 1.840 0 50 FDAA CS(=O)(=O)c1ccc(C2(C(=O)NCc3cccnc3N)CCC2)cc1 219868751 MMMXLJRKVVLISE-UHFFFAOYSA-N 359.451 1.805 0 50 FDAA CC(C)Oc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 72442104 NATZTZUUCOAPQH-AWEZNQCLSA-N 369.487 1.931 0 50 FDAA CC(=O)N[C@@H]1CCN(Cc2c(C(=O)N3CCCC3)nc3sccn23)C1 71523868 BPQOEHDVOWEMDT-CYBMUJFWSA-N 361.471 1.342 0 50 FDAA O=C(CN1CCS(=O)(=O)[C@H]2CCCC[C@@H]21)NC(=O)NC1CCCCC1 333421788 ICDGVKKIZKSAOD-GJZGRUSLSA-N 371.503 1.187 0 50 FDAA CC(C)Cc1cc(CN2CCn3nc(CNC(=O)N(C)C)cc3C2)n[nH]1 82162060 GRBNXMTXEZATFG-UHFFFAOYSA-N 359.478 1.592 0 50 FDAA CC[C@@H](NS(=O)(=O)c1cc(-n2cccn2)ccc1OC)[C@H]1C[C@H](O)C1 220456562 GOCCZKVDZDBBEX-VHDGCEQUSA-N 365.455 1.709 0 50 FDAA Cc1cc(=O)c(C(=O)NCc2cccc(N3CCOCC3)n2)cn1C1CC1 288710027 YSRVETGGISRGSF-UHFFFAOYSA-N 368.437 1.653 0 50 FDAA COCc1noc(CNC(=O)Nc2cc(NS(C)(=O)=O)ccc2C)n1 426413075 YXMSDUMBNVBFCM-UHFFFAOYSA-N 369.403 1.218 0 50 FDAA O=C(CN1Cc2ccccc2C1=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 225425404 YPNFUQLHLFHKEL-ZBFHGGJFSA-N 363.417 1.450 0 50 FDAA biogenic CNC(=O)c1ccc(-c2cccc(C(=O)N3CC[C@H](NC(C)=O)C3)c2)o1 426707307 ZCYCXSUEEJYATD-HNNXBMFYSA-N 355.394 1.657 0 50 FDAA Cc1nn(CC(=O)N2CCC(c3nc[nH]n3)CC2)c(=O)c2ccccc12 82977286 LBEOSZMNTNFUTH-UHFFFAOYSA-N 352.398 1.229 0 50 FDAA CCN1C[C@@H](CNC(=O)N2CCN(Cc3cccc(OC)c3)CC2)CC1=O 426519177 DIDAJSXLZRFEDJ-QGZVFWFLSA-N 374.485 1.391 0 50 FDAA CCCn1nccc1S(=O)(=O)N[C@@H]1CCOC[C@H]1Oc1ccccn1 222785894 FAGIENJKCQLRGR-ZIAGYGMSSA-N 366.443 1.203 0 50 FDAA O=C(C1Cc2ccccc2C1)N1CCn2nc(CNc3cnccn3)cc2C1 426492734 BXCBFAZUKGVTMJ-UHFFFAOYSA-N 374.448 2.042 0 50 FDAA COc1cccc2c(N3CCC(n4cnc(C(N)=O)c4N)CC3)ccnc12 291242332 XOPNTNYPFNPUOV-UHFFFAOYSA-N 366.425 1.963 0 50 FDAA Cc1nc(CC2CCN(C(=O)C3CCN(C(=O)C4CC4)CC3)CC2)no1 95371221 JOYLSMRGOSTEEF-UHFFFAOYSA-N 360.458 1.808 0 50 FDAA O=C(c1cnn2ccccc12)N1CCN(S(=O)(=O)c2ccccc2)CC1 91625537 IGCANXUOZAUFSI-UHFFFAOYSA-N 370.434 1.481 0 50 FDAA O=C(c1ccc(F)cc1)N1C[C@H]2CN(C(=O)C3CCC3)C[C@@]2(C(=O)O)C1 96164206 AGYOZFGBYCKSGX-AUUYWEPGSA-N 360.385 1.611 0 50 FDAA COc1ccc2c(c1)cc(C(=O)N1CCc3cc(C(N)=O)n(C)c3C1)n2C 91893713 PYAHMOYWKJNHHN-UHFFFAOYSA-N 366.421 1.823 0 50 FDAA CCc1ocnc1C(=O)N1CCC(c2nnc(Cn3ccnc3)n2C)CC1 91848772 XNTJNLSKYKFARA-UHFFFAOYSA-N 369.429 1.630 0 50 FDAA COc1cccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1 239338945 LLPSZIWVGXFRJN-WKLICJCCSA-N 352.390 1.687 0 50 FDAA O=C(CN1C[C@H](c2ccccc2)CC1=O)N1CCN(c2nccs2)CC1 95523118 JOLWHWJQTGVSQH-MRXNPFEDSA-N 370.478 1.808 0 50 FDAA COCc1nc(-c2nc3c([nH]2)C[C@H](c2cccc(OC)c2)CNC3=O)no1 95384852 REWFPYXDYQLBJS-NSHDSACASA-N 369.381 1.684 0 50 FDAA Cc1nc(N2CCC(N[C@H]3C=CS(=O)(=O)C3)CC2)c2ccsc2n1 95498829 DXJDLFMZIWZVHO-ZDUSSCGKSA-N 364.496 1.869 0 50 FDAA CC(C)c1cc(C(=O)N2CCN(c3ncccn3)CC2)nc2ncnn12 97681761 TWMUGVXAXLGFOO-UHFFFAOYSA-N 352.402 1.000 0 50 FDAA O=C(CCN1C[C@@H]2CCC[C@H](C1)C(=O)N2)Nc1ccsc1C(=O)O 244601896 DTVUTDSRHMLUJQ-MNOVXSKESA-N 351.428 1.375 0 50 FDAA CN(C)C(=O)NCC(=O)N[C@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1 244712705 KVAZKDDXLNCWEN-JOQOYGCGSA-N 356.426 1.434 0 50 FDAA COc1cccc2c1OC(=O)[C@H]1[C@@H]2c2sc(=O)[nH]c2S[C@H]1C(=O)O 245241454 DYFKIRSJFMIWQT-VHSKPIJISA-N 365.388 1.671 0 50 FDAA biogenic CC[C@H](C)[C@@H](NC(=O)CCc1ccc2c(c1)nc(O)c(=O)n2C)C(=O)O 252535621 GLSFMMUKXMHICG-ZUZCIYMTSA-N 361.398 1.187 0 50 FDAA COc1ccccc1CCNC(=O)CN1CCc2nc(C)nc(O)c2CC1 253536036 DXRFBFFICQXJEO-UHFFFAOYSA-N 370.453 1.259 0 50 FDAA CCOCCn1nc(C)cc1C(=O)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1 252550145 SAOQPROMRLGMNF-RVKKMQEKSA-N 358.442 1.865 0 50 FDAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2ccc(O)c(Cl)c2)c1O 253623831 OXQGWWPNVWPPLB-QMMMGPOBSA-N 366.757 1.646 0 50 FDAA COc1ccc(NC(=O)CC[C@H]2N=C(O)N(Cc3ccco3)C2=O)cn1 252537207 KQZAESRSRNYWHD-CYBMUJFWSA-N 358.354 1.727 0 50 FDAA O=C(CCn1c(CO)nc2ccccc21)N1CCc2ncnc(O)c2CC1 299775051 KRHPBCWKIZFQBN-UHFFFAOYSA-N 367.409 1.042 0 50 FDAA C[C@@H](C(=O)NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2)N1CCCC1 299796910 OTADQNBGXQKNKE-AWEZNQCLSA-N 359.474 1.126 0 50 FDAA Cn1ccnc1CN1CCN(C(=O)c2cc(C(F)(F)F)nn2C)CC1 299765326 MDFJIWDNHGWVMJ-UHFFFAOYSA-N 356.352 1.130 0 50 FDAA COc1cccc(-c2cc(CNC(=O)CN3CCCN(C)CC3)no2)c1 299763249 YHGINNNPQWLFOO-UHFFFAOYSA-N 358.442 1.604 0 50 FDAA COCCn1cnnc1[C@H](C)NC(=O)c1cnc(Nc2ccccc2)nc1 824466000 AFCGOSYCEIBCAY-ZDUSSCGKSA-N 367.413 1.949 0 50 FDAA COCCn1cncc1CNC(=O)c1cccc(-c2nc(C)nn2C)c1 584893709 LRWJAGRLEUBVAV-UHFFFAOYSA-N 354.414 1.563 0 50 FDAA CC(C)(C)N1C[C@H](C(=O)NCCc2nc(-c3ccccn3)no2)CC1=O 670454189 RHKVLKVEPKADFO-GFCCVEGCSA-N 357.414 1.437 0 50 FDAA O=C(N[C@@H]1CCCN(c2ccccc2)C1=O)[C@H]1COCCN1CC(F)F 185660262 NXBNKBHGSMPUJJ-HUUCEWRRSA-N 367.396 1.264 0 50 FDAA O=C(N[C@@H]1CCCN(c2ccccc2)C1=O)[C@@H]1COCCN1CC(F)F 185660224 NXBNKBHGSMPUJJ-CABCVRRESA-N 367.396 1.264 0 50 FDAA O=S(=O)(Cc1noc2ccccc12)N1CCC[C@H](Cn2ccnn2)C1 185984503 GXHWIJZPDNFDTI-CYBMUJFWSA-N 361.427 1.661 0 50 FDAA C[C@H](NC(=O)c1n[nH]c2ccccc2c1=O)c1ccc(S(N)(=O)=O)cc1 170624030 AQEZCHUDPWYKDX-JTQLQIEISA-N 372.406 1.062 0 50 FDAA NC(=O)CN1CCN(C(=O)[C@H](Oc2ccccc2)c2ccccc2)CC1 171314021 VUZFJYNTYMEMED-LJQANCHMSA-N 353.422 1.436 0 50 FDAA CC(C)c1nn(C)cc1NC(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 280795603 QNCYCFMTKKEJEF-ZDUSSCGKSA-N 369.491 1.575 0 50 FDAA C[C@H]1CN(C(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)C[C@@H](CO)O1 187936046 HNRSXQNJFQISLN-JEWRLFTDSA-N 362.470 1.518 0 50 FDAA O=C1[C@H](NS(=O)(=O)C2CCOCC2)CCN1Cc1ccc(F)cc1 190587985 UNWUUGADDIVOBK-OAHLLOKOSA-N 356.419 1.025 0 50 FDAA CCc1nccn1C[C@@H](C)NC1CCN(C2CCS(=O)(=O)CC2)CC1 1506429379 SIUCKRMATOZVDB-OAHLLOKOSA-N 368.547 1.465 0 50 FDAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)N2[C@@H](C)CC[C@H]2C)cc1OC 1529189514 PTGYGQYCWUPVAA-RTRLTSMRSA-N 362.426 1.659 0 50 FDAA COc1cccc([C@H]2CN(C(=O)CCn3cccn3)C[C@@H]2C(=O)O)c1OC 219597365 CKAGGUYNZPVLDG-CABCVRRESA-N 373.409 1.617 0 50 FDAA O=C(O)[C@H]1COCCN(C(=O)CCCc2nc(-c3cccnc3)no2)C1 1775978375 SDPKFFRQLSTYAJ-CYBMUJFWSA-N 360.370 1.014 0 50 FDAA C[C@H]1CN(C(=O)c2cc(COc3ccc4c(c3)OCO4)[nH]n2)C[C@@H](C)O1 12204606 AEPARFVZSWQGAJ-TXEJJXNPSA-N 359.382 1.967 0 50 FDAA O=C(NCc1nnc2n1CCC2)c1cn(Cc2ccc(Cl)cc2)nn1 19790996 DKDKALBVTQRKOT-UHFFFAOYSA-N 357.805 1.448 0 50 FDAA CCn1nc(-c2nc(CC(N)=O)nn2-c2nc3ccccc3n2C)cc1C 1857667433 AJCGYMCTYASLRK-UHFFFAOYSA-N 364.413 1.374 0 50 FDAA CC[C@@]12COC(=O)N1CCN(S(=O)(=O)c1ccc(-c3cc[nH]n3)o1)C2 1857676240 MBDIZQXESKLJTJ-OAHLLOKOSA-N 366.399 1.275 0 50 FDAA C[C@@]1(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC12CCNCC2 1857687451 RLCABWGHKQNQJS-FQEVSTJZSA-N 371.481 1.839 0 50 FDAA Cc1cc(CC(=O)N2CC[C@]3(C2)Cn2c(nnc2C2CCC2)CO3)on1 1857687843 HXRLRCGEVVUNQV-SFHVURJKSA-N 357.414 1.586 0 50 FDAA CCOCCC(=O)N1CCC[C@]2(C1)CN(c1ncccc1F)CC[C@H]2O 1857690765 RWSOJYGJHOTNJF-APWZRJJASA-N 365.449 1.827 0 50 FDAA Cc1cc(C)n(CC2(CNC(=O)[C@@H]3CC(=O)N(c4nccs4)C3)CC2)n1 1857713155 ZAZUCBBPVKZWGU-CQSZACIVSA-N 373.482 1.906 0 50 FDAA Cn1c(=O)c(C2=Nc3ccccc3S(=O)(=O)N2)c(O)c2ccccc21 100504344 DUHQVLKKFXKCFZ-UHFFFAOYSA-N 355.375 1.614 0 50 FDAA in-vitro CN1CCC[C@@H]1CN(C)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 332186840 WCDIALWQOJNECK-LLVKDONJSA-N 360.863 1.826 0 50 FDAA COc1cc(N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccn2)nc(N)n1 247848773 NTPNAVOISGQJHG-OCCSQVGLSA-N 354.414 1.090 0 50 FDAA O=C(O)[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)Cc2ccccc21 262255622 WBBNGQWPIPXHDS-YPMHNXCESA-N 370.327 1.608 0 50 FDAA CC1=C(c2ccco2)CN(C(=O)c2nc3ncc(CCO)cn3n2)CC1 1875284516 YBENDCZOPZHNTJ-UHFFFAOYSA-N 353.382 1.572 0 50 FDAA C=CC(=O)N[C@@H](C)C1CCN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)CC1 1875386635 VXXQHUVVAUMLRY-GUYCJALGSA-N 356.422 1.697 0 50 FDAA CC(C)[C@@H](C(=O)N1CC[C@@H](CCN=c2[nH]cnc3c2CCC3)C1)N(C)C 1875311879 CXFXIUYGEUCDBH-QAPCUYQASA-N 359.518 1.624 0 50 FDAA COC(=O)/C=C/C(=O)N[C@H](Cc1ccccn1)[C@@H]1COc2ccccc2O1 1875378814 FFCDVXVSUGFARG-ZHDRDSPKSA-N 368.389 1.678 0 50 FDAA C=CC(=O)NCc1ccc(C(=O)N2CCN(C3=NCCCS3)CC2)cc1 1875385439 STLUVTDDQZQQRR-UHFFFAOYSA-N 372.494 1.740 0 50 FDAA CCOCc1nc(-c2cccc(S(C)(=O)=O)c2)nn1CC(C)(C)CO 1875331056 NMLNDHWPWRZDEL-UHFFFAOYSA-N 367.471 1.904 0 50 FDAA CN(C)Cc1cc(O[C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)ccn1 886095276 PZTSEMQYSJZECL-KRWDZBQOSA-N 356.426 1.135 0 50 FDAA CN(Cc1cnn(Cc2ccccc2)c1)C(=O)[C@@H]1CC[C@H](C(=O)O)NC1 888101208 SFEJOIIGCAGSJS-IAGOWNOFSA-N 356.426 1.343 0 50 FDAA Cc1ccc(CN2CCO[C@@H](CNC(=O)N3CC[C@@H]4CNC[C@@H]43)C2)cc1 892612246 UWPFZFBOIGGJMC-QYZOEREBSA-N 358.486 1.199 0 50 FDAA O=C(CCc1ccccn1)N1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 2100545315 OOIORIZBSSIVBD-VURPSTOHSA-N 352.434 1.610 0 50 FDAA Ic1cnn2ccnc(N3CCc4n[nH]cc4C3)c12 2325792933 WPOAVMYLQAQZEF-UHFFFAOYSA-N 366.166 1.620 0 50 FDAA CN(C[C@H](O)CN(C)[C@H]1CCc2ccc(F)cc21)C(=O)c1ccc(O)nc1 2325793909 LBSJKGBIGFSRTL-AEFFLSMTSA-N 373.428 1.979 0 50 FDAA NC(=O)CCNC(=O)Nc1cccc(NC(=O)c2cnc3[nH]cncc2-3)c1 2325863030 QXUIREQVGCOREC-UHFFFAOYSA-N 367.369 1.159 0 50 FDAA CC(=O)NC[C@H]1CC2(CCN(c3cc(=O)n4ccccc4n3)CC2)CO1 2325866961 GPPHZFLBOXCJGP-OAHLLOKOSA-N 356.426 1.206 0 50 FDAA C=CC(=O)NCc1ccc(C(=O)N2[C@H]3CCC[C@H]2CN(C)C(=O)C3)cc1 2325887989 IAYUSQOQRRWCSS-IRXDYDNUSA-N 355.438 1.714 0 50 FDAA C[C@@H]1CCc2c(sc(NC(=O)c3nc4ncccn4n3)c2C(N)=O)C1 924002 MBNRGMLCDYDYMQ-MRVPVSSYSA-N 356.411 1.662 0 50 FDAA CCOc1ccc(N(CC(=O)N[C@H]2CCCC[C@@H]2O)S(C)(=O)=O)cc1 1461716 BEULNMKAMXMCMB-HOTGVXAUSA-N 370.471 1.271 0 50 FDAA COC(=O)c1ccc2c(=O)n(CCCN3CCCC3=O)c(S)nc2c1 2225387 SQCMJZOLKPUGMN-UHFFFAOYSA-N 361.423 1.484 0 50 FDAA O=C(O)[C@H]1CSC(c2nc3ccc(OP(=O)(O)O)cc3s2)=N1 4521650 ATNLDURWXISHKQ-SSDOTTSWSA-N 360.309 1.714 0 50 FDAA Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1 24609357 PAAOSOJXXSUAGV-UHFFFAOYSA-N 366.483 1.396 0 50 FDAA COCC(=O)N1CCC[C@H](C(=O)NCc2nc(C(C)(C)C)cs2)C1 65371616 WOELUWCSRUGUEO-LBPRGKRZSA-N 353.488 1.942 0 50 FDAA COC(=O)c1cc2n(n1)CCCN(C(=O)CSc1nc(C)cs1)C2 65395381 NXXKKPMUYAIUAL-UHFFFAOYSA-N 366.468 1.959 0 50 FDAA NC(=O)NCc1cn(C2CCN(C/C=C/c3ccc(F)cc3)CC2)nn1 23191772 QCJKAGVLQQMFEE-OWOJBTEDSA-N 358.421 1.936 0 50 FDAA Nc1nc(CCc2nc(C3CC3)nn2-c2ccc3c(c2)OCCO3)n[nH]1 65371462 JZVGVURXUIUQGE-UHFFFAOYSA-N 353.386 1.401 0 50 FDAA COC[C@@H](Cc1ccccc1)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 328630232 JERGOIUZVGCNCV-QZTJIDSGSA-N 356.470 1.596 0 50 FDAA CN(CC(=O)O)C[C@@H]1CN(C(=O)[C@H]2SCCc3ccccc32)CCO1 328607977 XWNBFOXOJVBRDR-PBHICJAKSA-N 364.467 1.261 0 50 FDAA O=C(c1cncc(N2CCO[C@H](c3ccc(F)cc3)C2)n1)N1CCOCC1 71754121 JLFKTDGILHVPPA-KRWDZBQOSA-N 372.400 1.666 0 50 FDAA CCc1ccccc1C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 123447953 ZUWMWPJEYTWCJZ-UHFFFAOYSA-N 368.499 1.762 0 50 FDAA COC[C@H](C)n1ccc(NC(=O)N2CCN(c3ncccc3F)CC2)n1 432947563 DONJQCUBMZLVJO-ZDUSSCGKSA-N 362.409 1.979 0 50 FDAA CN1C[C@H](CC(=O)NCC(F)F)Oc2ccc(C(=O)N3CCCC3)cc21 77303855 RCKUEUCPLPRJEH-ZDUSSCGKSA-N 367.396 1.891 0 50 FDAA COc1cccc(CCC(=O)NCc2cc(N3CCOCC3)ncn2)c1 72432865 VYOJKKTVYBRKFU-UHFFFAOYSA-N 356.426 1.571 0 50 FDAA Cc1c(CN2CCc3nc[nH]c3[C@H]2C(=O)O)c(=O)n(-c2ccccc2)n1C 72434371 CQGGSMWFGHLOBX-KRWDZBQOSA-N 367.409 1.392 0 50 FDAA 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352.197 1.675 0 50 FDAA O=C1C[C@H](N2CCN(c3ccccn3)CC2)C(=O)N1c1ccc(F)cc1 18126836 HYJZMXMJYYCCNN-INIZCTEOSA-N 354.385 1.675 0 50 FDAA O=C(C[C@@H]1CCC(=O)NC1=O)NCCc1cccc(Br)c1 2325784659 AGSZIYUOESLGTG-NSHDSACASA-N 353.216 1.551 0 50 FDAA Cc1ccccc1C(=O)N1C[C@@H]2C[C@@H]2[C@@H](NC(=O)c2cc(CO)[nH]n2)C1 2325851359 XNYGKACWOOQHLB-NUTKFTJISA-N 354.410 1.101 0 50 FDAA O=C(Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccco1 815563 HETJGKFLMFHITM-CYBMUJFWSA-N 350.396 1.989 0 50 FDAA O=C1CCC(=O)N1N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 2698172 COVQKGUPSPUWDR-NTFDOXNWSA-N 372.380 1.943 0 50 FDAA CC(=O)[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1 4225899 JGBKEVDYKMZELQ-LLVKDONJSA-N 358.423 1.541 0 50 FDAA COc1cccc(CNC(=O)Cn2ncn3c(cc4ccccc43)c2=O)c1 6749648 NYCGKMFSWYJXHT-UHFFFAOYSA-N 362.389 1.974 0 50 FDAA O=C(NCc1ccncc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 8341476 HUQYRAQOUOIYMW-CQSZACIVSA-N 353.378 1.522 0 50 FDAA CCCCc1cn(C2CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)CC2)nn1 23543589 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CN1C[C@@]2(CCCN(C(=O)c3cnc(-c4cccnc4)nc3)CC2)OC1=O 72163294 NIGUVKBZILVPCZ-IBGZPJMESA-N 367.409 1.986 0 50 FDAA Cn1c(CN2CCCS(=O)(=O)CC2)nnc1-c1ccc(Cl)cc1 368699072 WTRUPXZAYAETAY-UHFFFAOYSA-N 354.863 1.756 0 50 FDAA O=C(Cn1nc2ccccc2n1)NC[C@@H](c1ccccn1)N1CCOCC1 215868733 VXWSATBMZFZBBR-SFHVURJKSA-N 366.425 1.016 0 50 FDAA COc1nc2c(cc1CNC(=O)c1cccnn1)C(=O)N(C1CCCC1)C2 71748909 FJQIVIDYBZBJRI-UHFFFAOYSA-N 367.409 1.709 0 50 FDAA O=C(c1cccc2cc[nH]c12)N1CCN(S(=O)(=O)c2cccnc2)CC1 173412911 MBAJNCLRMAFVQG-UHFFFAOYSA-N 370.434 1.710 0 50 FDAA Cc1cc(C)n2nc(C(=O)N3CC[C@@](O)(c4ccc(F)cc4)C3)nc2n1 375024541 XJVMBBLEPYGMEI-SFHVURJKSA-N 355.373 1.614 0 50 FDAA NC(=O)[C@@H]1CCCN(Cc2cc3n(n2)CCCN(C(=O)c2ccoc2)C3)C1 72432456 PTWFXSJCDRKCKT-CQSZACIVSA-N 371.441 1.220 0 50 FDAA Cn1nc(CC(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)c2ccccc2c1=O 377457990 FMUIWUZDYWQYQK-DQYPLSBCSA-N 369.421 1.720 0 50 FDAA CN(C(=O)CCc1nc(-c2ccccc2)no1)C1CCS(=O)(=O)CC1 77407365 AHISZNNTPOEMKH-UHFFFAOYSA-N 363.439 1.705 0 50 FDAA Cc1cnc(CN(C)[C@H]2CN(C(=O)c3ccc(Cl)c(F)c3)C[C@@H]2O)[nH]1 72431678 GBMVPJMWZVBIRC-GJZGRUSLSA-N 366.824 1.828 0 50 FDAA Cn1nc(-c2ccccn2)cc1NC(=O)Cn1nnc(-c2ccccc2)n1 48353724 MFQOTBANGXKRIF-UHFFFAOYSA-N 360.381 1.774 0 50 FDAA Cc1cnn(Cc2cc(C(=O)N[C@H]3CCO[C@@H]3c3ccnn3C)no2)c1 285401707 GMKRWLYVFRZAPM-BBRMVZONSA-N 356.386 1.221 0 50 FDAA CC(C)OC(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 82160649 FRRRSMSRWNYFHC-MRXNPFEDSA-N 367.490 1.567 0 50 FDAA Cc1ccccc1N1C[C@H](C)N(C(=O)CN2CCCCCC2=O)CC1=O 82120919 RFMSNIBEULLFTD-INIZCTEOSA-N 357.454 1.961 0 50 FDAA O=C(N[C@H]1COC[C@@H]1N1CCCC1)c1cccc(-c2cc(O)ncn2)c1 426698510 WWGUVDAAHHIAKO-IRXDYDNUSA-N 354.410 1.442 0 50 FDAA Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCCN(Cc2ccoc2)C1 426544437 QIDAGKXCXWIFPC-INIZCTEOSA-N 359.474 1.744 0 50 FDAA COC(=O)c1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 20220870 ULNYCRCSPQQNPZ-HNNXBMFYSA-N 361.398 1.328 0 50 FDAA OCC1CCN(C[C@@H]2CN(c3nc(-c4ccccc4)no3)C[C@@H]2CO)CC1 95366617 SREVCYUPJSRCIF-QZTJIDSGSA-N 372.469 1.486 0 50 FDAA CCN1CCC[C@@](C)(C(=O)N2CCN(c3ccc4nccn4n3)CC2)C1 426490279 VWZDOBCXBWOVGK-LJQANCHMSA-N 356.474 1.500 0 50 FDAA O=C(Cn1ccc2ccccc2c1=O)N1CCCN(C(=O)C2CCC2)CC1 95518080 GZMGAHCNLXSWPH-UHFFFAOYSA-N 367.449 1.863 0 50 FDAA NC(=O)N1CCC[C@@H](C(=O)N2CCN(C3Cc4ccccc4C3)CC2)C1 91595704 ODOFHKLBJVTKPF-QGZVFWFLSA-N 356.470 1.089 0 50 FDAA O=C(c1c[nH]c(=O)c2ccccc12)N1C[C@H](CO)C[C@H](CN2CCCC2)C1 91452524 BNEJDXGIBCGEGM-HZPDHXFCSA-N 369.465 1.695 0 50 FDAA CN(C)c1nc2c(c(N3CCC4(CC3)CN[C@@H](C(=O)O)C4)n1)CCCC2 91770474 OEBFVYSGEFGKGO-OAHLLOKOSA-N 359.474 1.455 0 50 FDAA O=C(c1ccc2[nH]c(CO)nc2c1)N1CCN([C@H]2CCCC[C@@H]2O)CC1 97480310 FQVGIRHYPSSASN-IRXDYDNUSA-N 358.442 1.117 0 50 FDAA COCCN1CCC[C@@]2(CCN(CC(=O)N3CCCCCC3)C2)C1=O 92065596 BBGHZBFYHMCCSI-IBGZPJMESA-N 351.491 1.350 0 50 FDAA C[C@H](C(=O)N1CCC(c2nccn2Cc2cscn2)CC1)n1cncn1 91551454 IMFQTUXRZAMFJU-CYBMUJFWSA-N 371.470 1.947 0 50 FDAA CN(CC(=O)N1CCC2(CCC(=O)N(C3CC3)C2)CC1)Cc1cccnc1 91574531 NRNYFALFMNMEDZ-UHFFFAOYSA-N 370.497 1.907 0 50 FDAA CCN1CCC[C@@]2(CCN(C(=O)c3cccc(OCC(N)=O)c3)C2)C1=O 91645246 YANPHLOJAPJEME-IBGZPJMESA-N 359.426 1.025 0 50 FDAA COc1cccc(OC)c1CNC(=O)c1ccc(Cn2nnnc2C)cc1 97179363 MCHTXNWSQQZZGU-UHFFFAOYSA-N 367.409 1.977 0 50 FDAA CN1CC[C@@]2(CCC1=O)CN(C(=O)c1ccc3c(c1)OCO3)CCN2C 92037361 HHHLGESBVSFMOT-IBGZPJMESA-N 359.426 1.184 0 50 FDAA CCc1c(C)nn(CC(=O)N[C@H]2C[C@@H](c3nnc(CO)n3C3CC3)C2)c1C 244700845 JVCODGGBKIKURA-OKILXGFUSA-N 372.473 1.543 0 50 FDAA O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCc2[nH]ncc2C1 299321709 VCYXCVZHQRMXOP-CQSZACIVSA-N 374.466 1.395 0 50 FDAA O=C(O)[C@H]1CN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)CCO1 299747132 CAMWDOKJOKMWHA-CQSZACIVSA-N 353.802 1.700 0 50 FDAA O=C(NC1CCN(CCO)CC1)c1ccc(-c2cncc(C(=O)O)n2)cc1 534578306 QQAIYYDOCICQRK-UHFFFAOYSA-N 370.409 1.028 0 50 FDAA O=C(N[C@H](CCn1ccnc1)c1ccccc1)c1cc2n(n1)CCNC2 65380227 CZYWTHQGWLJOEU-QGZVFWFLSA-N 350.426 1.744 0 50 FDAA O=C(NCCc1ccccc1)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 299761584 LDQSEAMSLZBZJU-DMUMMCEESA-N 360.454 1.427 0 50 FDAA Cc1ccc([C@@H](CNC(=O)Cn2nc3ccccc3n2)N2CCOCC2)o1 299774432 HVJGTLQRMRCMNQ-QGZVFWFLSA-N 369.425 1.522 0 50 FDAA Cc1nc(C2CCN([C@@H]3CCS(=O)(=O)C3)CC2)n(-c2cccnc2)n1 825292043 LYBFFTKMIREQET-MRXNPFEDSA-N 361.471 1.337 0 50 FDAA Cc1nc(C(C)(C)C)nc(O)c1C(=O)N[C@H](CO)Cc1cncs1 1454309133 IXLPCQUXOYWLDA-JTQLQIEISA-N 350.444 1.578 0 50 FDAA Cc1nc(CN2CC[C@H](NC(=O)CCC(F)(F)F)[C@@H](O)C2)cs1 1565511082 JPLPVIUKGXNCOM-RYUDHWBXSA-N 351.394 1.845 0 50 FDAA COc1cc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)cc(-n2cnnn2)c1 952981779 WKWRSUDVKZHMEM-LLVKDONJSA-N 358.402 1.256 0 50 FDAA COc1ccc(OCc2nc([C@H]3CCCNC3=O)n(CC(C)(C)O)n2)cc1 952873915 QOPWNFOBPVOCRG-OAHLLOKOSA-N 374.441 1.630 0 50 FDAA CN1CCN(C(=O)NCCc2ccc3c(c2)CCO3)C[C@@H]1c1nccn1C 275308582 BGOAPOKKZBUZNL-QGZVFWFLSA-N 369.469 1.596 0 50 FDAA COc1ccccc1C[C@H](C)N[C@H]1CCCN(c2nccn(C)c2=O)C1 275726439 ZJDCVJFJNQGZOA-RDJZCZTQSA-N 356.470 1.979 0 50 FDAA Cc1ccc(NC(=O)Cn2c(C)c(C)sc2=O)cc1N1C(=O)CNC1=O 279892224 FCCMZKICENKRQH-UHFFFAOYSA-N 374.422 1.530 0 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1.520 0 50 FDAA CCOC(=O)N1CCN(C(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1 5388233 QFEGNQSJYDQDIL-UHFFFAOYSA-N 370.409 1.211 0 50 FDAA O=C(CSc1ncccn1)N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 11815547 YOIBXYIKLYZGGH-AWEZNQCLSA-N 360.414 1.625 0 50 FDAA Cc1nnc(SCC(=O)N[C@@H]2CCCN(C3CCN(C)CC3)C2)s1 11879647 SBTDUEHUZRLLJQ-CYBMUJFWSA-N 369.560 1.613 0 50 FDAA Cc1cc(CNC[C@@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)no1 12571257 FLGLDMIZZVNTSB-SFHVURJKSA-N 365.380 1.905 0 50 FDAA COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 13580532 HYECYUUVLKBTGU-LLVKDONJSA-N 356.419 1.514 0 50 FDAA O=C(Cc1cc(F)c(F)cc1F)NCCNS(=O)(=O)c1cccnc1 151554900 DIBIFORSHMUELL-UHFFFAOYSA-N 373.356 1.136 0 50 FDAA CN1CCCN(C(=O)[C@H]2CC(=O)N(c3nc4ccccc4s3)C2)CC1 1857671341 FZYFBKPYSYUCLH-ZDUSSCGKSA-N 358.467 1.813 0 50 FDAA N[C@@H]1C[C@@H](C(=O)N2CCC(N3CCc4ccccc4C3)CC2)CC[C@H]1O 1857716464 NDQBXNPAKDPLBE-PWIZWCRZSA-N 357.498 1.524 0 50 FDAA NC(=O)Cc1nc(CCCCc2nc3ccccc3s2)n(CCCO)n1 1857740966 VQMGRWATARXVLU-UHFFFAOYSA-N 373.482 1.863 0 50 FDAA C[C@@H](C(=O)N1CCCC[C@H]1C(N)=O)N1CCN(c2ccc(F)cc2)CC1 111548516 DXLUMNQOHHNSOU-YOEHRIQHSA-N 362.449 1.203 0 50 FDAA COc1cccc2c1OCC(CN1CC[C@H](N3CCC(O)CC3)[C@@H](O)C1)=C2 248259265 UVWPPAQRHBPGAW-OALUTQOASA-N 374.481 1.363 0 50 FDAA Cc1noc(C)c1CN1C[C@@H]2CC[C@H](C1)CN2C(=O)CN1CCOC1=O 252012885 TZTZKFPAYDTJPF-CABCVRRESA-N 362.430 1.166 0 50 FDAA COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@]2(C)C(=O)O)cc1Cl 364912096 AEHNJOBUSNFXKI-AWEZNQCLSA-N 361.803 1.754 0 50 FDAA Cc1ccccc1C1(C(=O)N2C[C@H](c3cnn(C)c3)[C@@H](C(N)=O)C2)CC1 375784520 WRPMCUGOFZVKGT-CVEARBPZSA-N 352.438 1.488 0 50 FDAA C[C@@H]1CN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)[C@@H](c2ccccc2)CO1 266343567 NBFNBNABAGHWRG-AUJRIZCKSA-N 371.437 1.696 0 50 FDAA C[C@@H](NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)[C@@H]1C[C@H](C(=O)O)C1(C)C 902028618 ALFQLSCMGBHHES-QGKZMRNZSA-N 353.337 1.584 0 50 FDAA O=C(NS(=O)(=O)c1cccc(F)c1F)c1cn(CCC2CC2)nn1 1875307149 UVKZGPPOGXZSBW-UHFFFAOYSA-N 356.354 1.475 0 50 FDAA 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FDAA O=C(O)c1nn(Cc2ccccn2)c2c1CN(C(=O)[C@H]1CCCO1)CC2 67691988 XANJGPSMIPUYOH-OAHLLOKOSA-N 356.382 1.088 0 50 FDAA COc1cc(CNC(=O)c2cc3n(n2)CCCN(C(C)=O)C3)cc(OC)c1 65386488 SJBKVXYRRGAOPH-UHFFFAOYSA-N 372.425 1.583 0 50 FDAA O=C(c1c[nH]c(=O)cn1)N1CCC(n2cc(-c3ccsc3)nn2)CC1 20232399 OOVSKDWEACQAFP-UHFFFAOYSA-N 356.411 1.567 0 50 FDAA Cn1nc(C2CCN(C[C@H]3CCOC3)CC2)n(Cc2ccccc2)c1=O 67787524 ZYSOUFSVUDTIJB-QGZVFWFLSA-N 356.470 1.846 0 50 FDAA Nc1ccnc(N2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)n1 67803496 WAQOZCHEZZMCOU-GFCCVEGCSA-N 357.418 1.072 0 50 FDAA CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(O)(C(F)F)CC1 331182086 RUDFKZDEHJHZIZ-GFCCVEGCSA-N 368.446 1.199 0 50 FDAA O=C(NCc1nnc2n1CCC2)c1cc(COc2cccc(F)c2)[nH]n1 67695592 QNVKQQKZRRXMBT-UHFFFAOYSA-N 356.361 1.596 0 50 FDAA O=C(Nc1cnn(C[C@@H]2CCCCN2C(=O)c2cocn2)c1)c1cocn1 252500086 SMYWQZWUHOKZPB-ZDUSSCGKSA-N 370.369 1.806 0 50 FDAA CN(CC(=O)N1CCC[C@@H](C(=O)c2nccn2C)C1)Cc1cccnc1 77419953 NFHFKOHSDAEPKE-MRXNPFEDSA-N 355.442 1.368 0 50 FDAA 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CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CCc2n[nH]c(C(=O)NC)c2C1 243919548 BOUYUXHOBLEVNX-INIZCTEOSA-N 371.441 1.553 0 50 FDAA CC(C)C[C@@H](NC(=O)CCc1nnc(O)nc1O)c1nc2ccccc2[nH]1 252522822 BEAZEPDYBSSQEK-CQSZACIVSA-N 370.413 1.995 0 50 FDAA Cc1nn(C(C)C)c(C)c1C(=O)NCC[C@@H]1CCC(=O)N1CCN(C)C 299758256 KXNAHKSLGYNGBO-INIZCTEOSA-N 363.506 1.753 0 50 FDAA Cc1n[nH]c(C)c1CCNS(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C 825109518 XLUCISHHEPHONL-CXAGYDPISA-N 353.488 1.884 0 50 FDAA CC(C)c1nccn1CCCNS(=O)(=O)c1cc(C(N)=O)cs1 670469153 GJWKLENYKIEGDO-UHFFFAOYSA-N 356.473 1.536 0 50 FDAA CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCCN(C(N)=O)CC2)ncn1 275670771 LRFPVVSNUXXNCN-PBHICJAKSA-N 362.478 1.683 0 50 FDAA Cc1cc(C(=O)N[C@H](c2nc(C(C)C)no2)C2CCOCC2)nc(O)n1 275600427 KDVOIRCKEMQKBD-ZDUSSCGKSA-N 361.402 1.895 0 50 FDAA Cn1cc(C(=O)NS(=O)(=O)C[C@@H]2CCCOC2)c(C2CCCCC2)n1 408254772 OXQBJIGDXNXWLW-CYBMUJFWSA-N 369.487 1.954 0 50 FDAA Cc1cc(S(=O)(=O)NC(=O)C2CN(C(=O)C3CCCCC3)C2)c(C)o1 408492057 IZRGITXJEYPBGI-UHFFFAOYSA-N 368.455 1.740 0 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CCc1c(C)nn(CCNC(=O)Cc2nc3nc(C)cc(C)n3n2)c1C 223667591 DMDYKPXHKYIDFI-UHFFFAOYSA-N 355.446 1.476 0 50 FDAA Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1n[nH]c(N)c1Cl 222564643 OXNJGZXSCYAHHQ-GHMZBOCLSA-N 369.809 1.354 0 50 FDAA O=C(CN1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1)NC1CC1 176974103 TVLADFGBCWIFMK-UHFFFAOYSA-N 372.252 1.735 0 50 FDAA Cc1cccc(-n2nnnc2S[C@H](C)C(=O)NCCn2cccn2)c1 221448143 LAUNKOVUVVZKAH-CYBMUJFWSA-N 357.443 1.464 0 50 FDAA Cc1cc(C)n(CC(=O)N2CCC(OCc3ccccn3)CC2)c(=O)n1 220357119 HHWCNNYPZYIFRP-UHFFFAOYSA-N 356.426 1.463 0 50 FDAA Cc1nn([C@@H](C)CCNC(=O)c2nn(C)cc2C(=O)O)c(C)c1Cl 20616224 CQSKWROZVTWZEY-QMMMGPOBSA-N 353.810 1.966 0 50 FDAA Cc1ccc(F)cc1C(=O)N1CCn2nc([C@@H](O)CC(=O)N(C)C)cc2C1 222515338 HNRIMNLMWIEMDJ-KRWDZBQOSA-N 374.416 1.498 0 50 FDAA CN(C[C@@H]1Cc2ccccc2O1)C(=O)c1cnc2c(O)cccn2c1=O 426624948 YNGUKEHTZPAXSJ-ZDUSSCGKSA-N 351.362 1.476 0 50 FDAA COc1ccc(NC(=O)CN2CCN(c3cnccn3)CC2)cc1Cl 141867261 YNQUXVMQVMYYHS-UHFFFAOYSA-N 361.833 1.899 0 50 FDAA CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(O)c(Cl)c1)C2 91604924 REGMFVFHXINTDT-CMPLNLGQSA-N 358.847 1.542 0 50 FDAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)COc2ccc(F)cc2F)CN1C 96162835 BVMGJOCCWFMJGN-HIFRSBDPSA-N 369.412 1.401 0 50 FDAA NC(=O)N1CCC[C@@H](C(=O)NCCc2nc(Cc3ccccc3)no2)C1 92065692 IVMSHYIFYMXBSM-CQSZACIVSA-N 357.414 1.110 0 50 FDAA O=C(CCc1cn2ccccc2n1)N1CCC(c2cc(=O)[nH]cn2)CC1 97636597 KWGJQRAAFMNTQR-UHFFFAOYSA-N 351.410 1.756 0 50 FDAA O=C(NC[C@H](c1ccncc1)N1CCOCC1)Nc1cccn2cnnc12 95500900 APZSXDVVVFGVFU-MRXNPFEDSA-N 367.413 1.319 0 50 FDAA Cc1ccccc1N1CCCN(C(=O)C[C@H]2C(=O)N(C)C(=O)N2C)CC1 91713408 HSLGQBRPRCMGII-INIZCTEOSA-N 358.442 1.316 0 50 FDAA CCCn1cc(C(=O)N2CCC(c3nccn3CC(N)=O)CC2)c(C)n1 95531002 SOWUOYGWYWUCOD-UHFFFAOYSA-N 358.446 1.303 0 50 FDAA Cc1ccc([C@@H](C(=O)N2CC34CN(C)CC3(CN(C)C4)C2)N(C)C)cc1 91619846 JMHIBGDAIRKBJV-PELRDEGISA-N 356.514 1.304 0 50 FDAA CCCN1CCC[C@]2(CCN(S(=O)(=O)c3cc(C)nn3CC)C2)C1=O 91664670 SAPOCKVRSKDAQI-QGZVFWFLSA-N 368.503 1.625 0 50 FDAA O=C1N[C@@H](C(=O)N(C/C=C/c2ccccc2)CCO)Cc2ccccc21 97713485 HHZOPNAIWMAZCL-MBNRZODZSA-N 350.418 1.875 0 50 FDAA CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)Cn1ncc2ccccc2c1=O 97814884 WDDMHWIPIQDMLO-MRXNPFEDSA-N 353.426 1.824 0 50 FDAA Cc1ccc(CC(=O)N2CCC3(CCC(=O)N(CCO)C3)CC2)cc1F 91665110 OIUXYCOITPJDCO-UHFFFAOYSA-N 362.445 1.900 0 50 FDAA Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](O)CC2)C1 244866450 VWKFJGITLHFJMT-OAGGEKHMSA-N 372.473 1.317 0 50 FDAA CNc1cc([C@H]2C[C@@H](NS(=O)(=O)c3ccc(C)cc3C)C2)nc(N)n1 244884074 YESGTMQCOPJRQN-BETUJISGSA-N 361.471 1.942 0 50 FDAA CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C(=O)O)C(C)C)CC1 248099506 ZVDLSJPOZVWMBQ-DGXTUMSLSA-N 369.506 1.508 0 50 FDAA biogenic Cc1nn(C)c(C)c1CCCNC(=O)N1CCC(CC(=O)N(C)C)CC1 182778754 NPKBWYGWQDGPKU-UHFFFAOYSA-N 363.506 1.869 0 50 FDAA O=S(=O)(/C=C/c1ccccc1)N[C@H]1C[C@@H](c2nnc(CO)n2C2CC2)C1 253378462 GHRJMTGQMWEWFD-WNJITKBNSA-N 374.466 1.942 0 50 FDAA CN1C(=O)C[C@@H](C(=O)N2CCC(Cc3noc(C4CC4)n3)CC2)C1(C)C 252479789 BMVUAJZOCTXVJO-AWEZNQCLSA-N 360.458 1.985 0 50 FDAA COCCCn1cnnc1[C@H](C)NC(=O)N1CC(N2CCCCC2)C1 534589001 CJYJZRIRVKHDKM-AWEZNQCLSA-N 350.467 1.255 0 50 FDAA CCCC[C@H](NC(=O)N1CCN(c2ncc[nH]c2=O)CC1)c1cccnc1 534592232 WVDHBMMFKSBHQD-INIZCTEOSA-N 370.457 1.928 0 50 FDAA Cc1ccc(CNC(=O)N2CCC3(CC2)N=C(N(C)C)NC3=O)c(C)c1 534588285 YZIQFTHANZIUHA-UHFFFAOYSA-N 357.458 1.395 0 50 FDAA Cc1cc(=O)c2ccccc2n1CC(=O)N(C)C[C@@H](C)N1CCOCC1 299782298 FPAYAOWQNLPKFC-MRXNPFEDSA-N 357.454 1.489 0 50 FDAA Cn1nc2c(c1NC(=O)NC[C@H](c1cccnc1)N1CCOCC1)CCC2 299800053 ZJJPMQBKSYBQOY-QGZVFWFLSA-N 370.457 1.499 0 50 FDAA Cc1nc(N2CCCCC2)ncc1C(=O)N[C@@H](C)c1nnc(CC(=O)O)[nH]1 299765948 YCQCMJWFPKAWKZ-NSHDSACASA-N 373.417 1.012 0 50 FDAA Cc1nc2c(NC(=O)N3CCCO[C@H](CN4CCCC4)C3)cccn2n1 299789191 SWLRKHSBVBMKPT-OAHLLOKOSA-N 358.446 1.756 0 50 FDAA CN(CC(=O)N1CC=C(c2ccc(F)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 299802208 ZCLSXRGLPNMOCF-QGZVFWFLSA-N 366.458 1.560 0 50 FDAA C[C@@H](CN1CCCC1)c1nc(CC(N)=O)nn1-c1ccc2c(c1)CCC2 826842131 KNDZLOOHAJIKOY-AWEZNQCLSA-N 353.470 1.983 0 50 FDAA CCc1nc(CN2CCOCC2)n(-c2cc(=O)n(C)c3ccccc23)n1 823560501 XPILORXXSBFBGI-UHFFFAOYSA-N 353.426 1.514 0 50 FDAA C[C@@H](CCNC(=O)N1CCC(O)(c2cccnc2)CC1)N1CCOCC1 584884094 BKCSDNSIEPZVAJ-INIZCTEOSA-N 362.474 1.185 0 50 FDAA Cc1nnsc1C(=O)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670459579 PUNNLNUYEFGHPC-KGYZHSKHSA-N 369.494 1.144 0 50 FDAA COC(=O)[C@H](C)N(c1ccc(Br)cc1F)S(C)(=O)=O 675050785 YOPLNHHDUIBTGM-ZETCQYMHSA-N 354.197 1.916 0 50 FDAA CCN1CCNC(=O)[C@@H]1CC(=O)Nc1ccc(C(=O)N2CCCC2)cc1C 952980332 JOCUSFQJOHMJSX-KRWDZBQOSA-N 372.469 1.380 0 50 FDAA Cc1cc(C(=O)N[C@H]2CCN(Cc3ccnc4ccccc34)C[C@@H]2O)no1 1565515383 OPQAOQQUCUTKHP-HKUYNNGSSA-N 366.421 1.896 0 50 FDAA Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3C[C@@H](O)C[C@H]3CO)c12 185942510 SJJORYYAZXEGEH-KBPBESRZSA-N 372.469 1.940 0 50 FDAA COCCN1C(=O)C[C@@H](CNc2nccc(C)n2)[C@@H]1c1cnn(C)c1C 275363315 VYSMNBDIJULADD-WMLDXEAASA-N 358.446 1.475 0 50 FDAA CN(CC(N)=O)C[C@H]1CN(C(=O)C2CCC(c3ccccc3)CC2)CCO1 276347810 HOFZZCKNXAJROL-ACBHZAAOSA-N 373.497 1.605 0 50 FDAA CCN(C)C(=O)CNC(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 186212657 HRJMOUVXUXWOOK-UHFFFAOYSA-N 364.421 1.664 0 50 FDAA NC(=O)COc1ccc(C(=O)N(CC(F)F)C[C@H]2CCC=CO2)cc1 170600577 LUEVIZAJBYJERB-CQSZACIVSA-N 354.353 1.951 0 50 FDAA NC(=O)CN1CCCN(C(=O)c2c3c(nc4ccccc24)CCC3)CC1 728866526 GEDXCTLZRJQSDZ-UHFFFAOYSA-N 352.438 1.357 0 50 FDAA O=C1NC(=O)c2ccccc2/C1=C\Nc1nc2ccccc2n2nnnc12 783679109 OEPPHOBVZQZWIE-FMIVXFBMSA-N 357.333 1.396 0 50 FDAA NC(=O)CN1CCC[C@@H](C(=O)Nc2nc3c(s2)CCCCCC3)C1 1506422860 VFXWKCBIUODOEI-GFCCVEGCSA-N 350.488 1.938 0 50 FDAA CN(C(=O)NCCC(=O)O)C1(c2nnnn2-c2ccccc2)CCCCC1 1506417871 MDYSSZSPODWXFA-UHFFFAOYSA-N 372.429 1.938 0 50 FDAA Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC(=O)N(C)C)cc1F 212618920 QNWZGZNVKRLGPG-CABCVRRESA-N 361.417 1.285 0 50 FDAA CCn1cc(C(=O)N2C[C@H](c3cccc(OC)c3OC)[C@@H](C(=O)O)C2)cn1 216523775 DZTDPNLBENJYLJ-CABCVRRESA-N 373.409 1.861 0 50 FDAA CNc1ccnc(N2CC[C@H]3[C@H](CCC(=O)N3CCc3cnc[nH]3)C2)n1 216923500 KWXQCDDLDUHMRE-HIFRSBDPSA-N 355.446 1.301 0 50 FDAA Cc1cc(Br)c(S(=O)(=O)N2C[C@H](F)C[C@H]2CO)s1 332708570 OGQLXYSSQIAYHM-SFYZADRCSA-N 358.254 1.912 0 50 FDAA O=C(c1ccccn1)N1CCCN(CC[C@@H]2CCS(=O)(=O)C2)CC1 1772702132 DRGPHONHIXGSIN-OAHLLOKOSA-N 351.472 1.054 0 50 FDAA Cc1ccc(S(=O)(=O)N2CCN(CC[C@@H]3COCCO3)CC2)cc1 1775978631 AWPQYKGGAUJWJL-MRXNPFEDSA-N 354.472 1.107 0 50 FDAA O=C(NCCOc1cccnc1)c1cn(Cc2c(F)cccc2F)nn1 11821868 YRGVKXHLIFAWHZ-UHFFFAOYSA-N 359.336 1.808 0 50 FDAA CCc1ccc(N(CC(=O)NCCCN2CCCC2)S(C)(=O)=O)cc1 13646026 FAJOWMBTLGVGCM-UHFFFAOYSA-N 367.515 1.617 0 50 FDAA CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 19632927 RMHMFHUVIITRHF-UHFFFAOYSA-N 351.410 1.559 0 50 FDAA biogenic,world COc1ccc(CN2CCN(CCn3cncn3)CC2)c(OC)c1OC 19791506 DEMLECBCZIAINN-UHFFFAOYSA-N 361.446 1.122 0 50 FDAA COc1ccc(CCN2C(=O)N[C@H](CC(=O)NCCC(C)C)C2=O)cc1 206243895 FBGMUKIIWHTIQM-MRXNPFEDSA-N 361.442 1.711 0 50 FDAA c1cc2c(cc1CN1CCN([C@@H]3CCOC4(CCNCC4)C3)CC1)OCO2 1857670299 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360.435 1.767 0 50 FDAA COCC[C@]1(O)CCN(C(=O)CCc2nc(-c3ccco3)no2)C[C@H]1C 91624878 ZPMXOEFZDDHHCF-FZKQIMNGSA-N 363.414 1.898 0 50 FDAA NS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(-n3cccn3)cc2)c1 95370778 XZJVHHGZXRHAGZ-UHFFFAOYSA-N 374.397 1.589 0 50 FDAA O=C1CC[C@H](C(=O)N(Cc2cnn(-c3ccccc3)c2)C2CC2)NC(=O)N1 97515000 RDJCIKQKYWENLA-MRXNPFEDSA-N 367.409 1.352 0 50 FDAA O=C(CN1CCOC1=O)N1CCC[C@H](c2nccn2Cc2ccncc2)C1 91416463 VSZZLDRLRBZTDF-INIZCTEOSA-N 369.425 1.485 0 50 FDAA CCCN1C[C@H](NC(=O)Nc2cc3c(cc2C)n(C)c(=O)n3C)CC1=O 96152913 YJMKDRSGMYMELR-GFCCVEGCSA-N 359.430 1.318 0 50 FDAA CC(C)n1cccc1C(=O)N1C[C@H]2CC[C@@H]1CN(S(=O)(=O)N(C)C)C2 91664152 HWAULOXZTUNGBV-LSDHHAIUSA-N 368.503 1.412 0 50 FDAA O=C(c1cc(C(F)(F)F)n[nH]1)N1CCN(Cc2ccco2)[C@@H](CCO)C1 97447084 FVHNFTYTQIBMPT-NSHDSACASA-N 372.347 1.731 0 50 FDAA CC(C)C[C@@H]1COCCN1C(=O)CN1CC(=O)N(C)c2ccccc2C1=O 95531274 UMVKNTPKBUAQOX-OAHLLOKOSA-N 373.453 1.379 0 50 FDAA Cc1ccn2c(F)c(C(=O)N3CC[C@@]4(CCCN(CCO)C4=O)C3)nc2c1 91908558 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352.479 1.681 0 50 FDAA CCn1c(C2CCNCC2)nn(CC(=O)N[C@H](C)c2ccc(C)cc2)c1=O 65424871 URLLKTGXLXOGSE-OAHLLOKOSA-N 371.485 1.718 0 50 FDAA CC(C)OC(=O)N1CCC(c2nnc(CN3CCOCC3)n2C)CC1 77470277 ODZNCJWADMWLOT-UHFFFAOYSA-N 351.451 1.372 0 50 FDAA Cn1ccnc1[C@H](O)C1CCN(C(=O)COCCc2ccccc2)CC1 124703531 ZIKXBVMETBQLIR-LJQANCHMSA-N 357.454 1.951 0 50 FDAA COC(=O)c1cccc(OCCn2ccnc2-c2cc3n(n2)CCNC3)c1 72424728 YIBJDOIDONKZAW-UHFFFAOYSA-N 367.409 1.715 0 50 FDAA O=C([C@H](Cc1ccccc1)n1cnnn1)N1CC[C@]2(O)CCCC[C@@H]2C1 120195696 DVPAPFNOBRWWTH-ZIFCJYIRSA-N 355.442 1.611 0 50 FDAA O=C(N[C@@H]1CCOC[C@H]1OCC1CC1)c1ccccc1N1CCOCC1 219840449 CRIMNFZLSXDUEX-IEBWSBKVSA-N 360.454 1.837 0 50 FDAA CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)c2ccncc2F)cn1 328617269 CPGQSJAZLQCJOW-CQSZACIVSA-N 352.391 1.049 0 50 FDAA Cc1noc([C@@]2(O)CCN(S(=O)(=O)C3=Cc4ccccc4CC3)C2)n1 328608607 ARMPSUJKRSUTNE-QGZVFWFLSA-N 361.423 1.588 0 50 FDAA Cc1cc(C(F)(F)F)nc(CCNC(=O)C[C@@H]2C=CS(=O)(=O)C2)n1 219876849 FJQVNWQXNOPAFQ-JTQLQIEISA-N 363.361 1.411 0 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1.610 0 50 FDAA CCS(=O)(=O)NCCN1CCOC[C@H]1c1nc2ccccc2s1 374294710 KOAYERROGDLERO-ZDUSSCGKSA-N 355.485 1.609 0 50 FDAA CC(=O)c1c(C)nn(CC(=O)NCCc2noc([C@@H]3CCCO3)n2)c1C 219035356 CSUCUUWWDMHCJZ-ZDUSSCGKSA-N 361.402 1.296 0 50 FDAA O=c1[nH]cc(CN2CCO[C@H](Cc3cccc(C(F)(F)F)c3)C2)c(=O)[nH]1 71774943 HXLJIPUXVLASPB-CQSZACIVSA-N 369.343 1.526 0 50 FDAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H]1CC12CCS(=O)(=O)CC2 375196361 UWMAMMLELBEBNN-XQLPTFJDSA-N 369.483 1.534 0 50 FDAA O=C(C1CCC(Cn2cnnn2)CC1)N1CCN(Cc2ccccc2)CC1 40282952 SVFDNDXJPQFNKF-UHFFFAOYSA-N 368.485 1.824 0 50 FDAA CNc1ncccc1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1 223065660 JXOKHLKUXVLOFO-IAGOWNOFSA-N 357.410 1.582 0 50 FDAA O=C1CCCCN1CCNC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 426699941 MHIWUEQVUNOGPL-SFHVURJKSA-N 368.441 1.474 0 50 FDAA CC(C)Cc1cc(C(=O)NC[C@@H](c2ccccn2)N2CCOCC2)n(C)n1 92038267 HMNHCVJARXDKPQ-IBGZPJMESA-N 371.485 1.817 0 50 FDAA CCCC[C@H](CC(=O)O)NC(=O)N1CCN(C(=O)c2ccc[nH]2)CC1 426389242 JGYUEKHUVQFNEY-CYBMUJFWSA-N 350.419 1.516 0 50 FDAA COCCc1noc([C@@H]2CCCCN2C(=O)CN2CCCCCC2=O)n1 95531648 MBHZOCNKERUALJ-AWEZNQCLSA-N 364.446 1.715 0 50 FDAA CN(CCO)C[C@@H]1CN(C(=O)c2cc(F)c(F)cc2Cl)C[C@@H]1CO 91780900 IDMAXOBHYAJWSE-GHMZBOCLSA-N 362.804 1.223 0 50 FDAA NC(=O)CN1CC2(CCC1=O)CCN(c1nccc(C3CCCC3)n1)CC2 91846006 BUQDMDVHTSKVTI-UHFFFAOYSA-N 371.485 1.829 0 50 FDAA O=C(NCCCc1ccc(O)cc1)[C@H]1CC(=O)N(Cc2ccccn2)C1 95520521 HURAKYHECMMSIY-INIZCTEOSA-N 353.422 1.885 0 50 FDAA Cc1cc2cc(C(=O)N3C[C@H](CO)[C@H](CN4CCOCC4)C3)ccc2o1 92065318 PWEURENALBDMON-QZTJIDSGSA-N 358.438 1.754 0 50 FDAA COc1ccccc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239302573 FKZWULLRYFIHQO-RDXDGJJNSA-N 352.390 1.687 0 50 FDAA Cc1nn(CC(=O)N2Cc3nnc(C)n3[C@@H](C)C2)c(=O)c2ccccc12 96147942 WWMBRZKTFREEMN-NSHDSACASA-N 352.398 1.208 0 50 FDAA O=C([C@@H]1CCCNC1)N1CCN(c2nccc(-c3ccccc3)n2)CC1 96153108 JMTYONPGIGWURG-QGZVFWFLSA-N 351.454 1.792 0 50 FDAA CCn1c(Cn2cncn2)nnc1C1CCN(c2ncnc(C)c2C)CC1 91691717 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CN(Cc1cc[nH]n1)S(=O)(=O)c1cccc(NC(=O)c2cnccn2)c1 408521075 HKKTYZOKNMHWQJ-UHFFFAOYSA-N 372.410 1.273 0 50 FDAA CN(C)C[C@H]1CC[C@@H](C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)O1 170635993 DKJSJXWTGCFDSA-HIFRSBDPSA-N 368.861 1.879 0 50 FDAA CO[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccccc1 170617067 KDKAKLNGSXAZEZ-HRCADAONSA-N 369.487 1.534 0 50 FDAA O=C(c1ccncc1)N1CCC(N2CCN(c3cccnc3)CC2)CC1 1506429136 VOQQCHJBBVSYMB-UHFFFAOYSA-N 351.454 1.903 0 50 FDAA COC[C@@H]1CCCN(S(=O)(=O)N(C)Cc2cnc3ccccc3n2)C1 1506403739 TYBFKVZCVSWEMV-CQSZACIVSA-N 364.471 1.665 0 50 FDAA O=S1(=O)CC[C@H](Nc2cc(C(F)(F)F)nc(N3CCCC3)n2)C1 1506414559 FQOPIEUEEWUIKS-VIFPVBQESA-N 350.366 1.695 0 50 FDAA COc1ccc(CCNC(=O)CN2CCC(O)(c3cccnc3)CC2)cc1 1506395738 LZOQNDYBGNNCSU-UHFFFAOYSA-N 369.465 1.733 0 50 FDAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCC(=O)NC[C@@H]1C 1506417123 NVSJBIAYPSKELL-NSHDSACASA-N 360.863 1.946 0 50 FDAA Cc1nc(C)c(C(=O)N2CCCN(C(=O)[C@H](O)C3CCCCC3)CC2)o1 1529187439 SJRAXADMNDBAPX-MRXNPFEDSA-N 363.458 1.907 0 50 FDAA CN(CCCNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1)C1CCCC1 1529106203 MGAFMGFQTYAPDG-MOPGFXCFSA-N 359.470 1.623 0 50 FDAA COc1ccc([C@@H]2[C@@H](C(=O)NCc3ccon3)OCC(=O)N2C2CC2)cc1 1529155287 QCXKPTKWPATCAP-MSOLQXFVSA-N 371.393 1.431 0 50 FDAA CC[C@@H](C(=O)N1CCCN(c2ccncc2F)CC1)N1CCOCC1 1772811628 VURWABKYFOZOEH-INIZCTEOSA-N 350.438 1.370 0 50 FDAA C[C@H](CCn1cccn1)N1CCCN(C(=O)CCc2ccnn2C)CC1 1775980971 FDVUQYBTAUNOLA-QGZVFWFLSA-N 358.490 1.562 0 50 FDAA Cc1ccc(CC(=O)N2CCCN(c3cc(O)nc(N)n3)CC2)cc1F 1772812613 MFCISIIFFONANB-UHFFFAOYSA-N 359.405 1.493 0 50 FDAA C/C=C/Cn1c(=O)c2c(nc3n(Cc4ccco4)c(C)c(C)n23)n(C)c1=O 12343348 PYYSTSFNULMURL-AATRIKPKSA-N 367.409 1.984 0 50 FDAA O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCCN(Cc2cc[nH]n2)C1 12433325 QKBAMYFXFRMDHM-ZDUSSCGKSA-N 352.402 1.236 0 50 FDAA COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc2oc(C(C)C)nc2c1 12437754 OWNJAWOXWFXYJL-CYBMUJFWSA-N 359.382 1.455 0 50 FDAA CS(=O)(=O)N1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1 16604075 VUNNKUFYCRTJNY-UHFFFAOYSA-N 351.255 1.640 0 50 FDAA CC[C@@H](C)NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCOCC2)c1 16648336 UDGMVEIDHVVNRX-GFCCVEGCSA-N 372.512 1.958 0 50 FDAA CCOC(=O)[C@H]1C(=O)N=C(N2CCOCC2)N[C@@H]1c1ccc(Cl)cc1 18155282 NZCUKSDDWCYLSW-ZIAGYGMSSA-N 365.817 1.378 0 50 FDAA COCCN(C)Cc1cnc(S(=O)(=O)CCC(C)C)n1CCOC 19222488 HIKLOSIGXFJNCF-UHFFFAOYSA-N 361.508 1.428 0 50 FDAA O=C(Cc1noc2ccccc12)N1CCC(Cn2cc(CO)nn2)CC1 19840470 VSGZOCNDZFDDEL-UHFFFAOYSA-N 355.398 1.393 0 50 FDAA O=C(Cc1ccn(-c2ccccc2)n1)N[C@H]1C[C@H](Cn2cccn2)C[C@@H]1O 1857532691 HLXXCUNZEIFAJN-SNRMKQJTSA-N 365.437 1.567 0 50 FDAA COC(=O)[C@H]1C[C@H]2CN(Cc3cnc[nH]3)CC(=O)N2[C@H]1c1ccccc1 1857728150 PJXVDDPEFMMDDK-BQFCYCMXSA-N 354.410 1.357 0 50 FDAA CS(=O)(=O)c1ccc(CN2C(=O)[C@]3(CCNC3)c3ccccc32)cc1 1875244469 LRODQYFUXZZMMS-IBGZPJMESA-N 356.447 1.868 0 50 FDAA Cn1c(=O)c2c(nc(N3CCCC3)n2CCCc2ccccc2)n(C)c1=O 629222 BKJJSNGHDMRCIM-UHFFFAOYSA-N 367.453 1.667 0 50 FDAA O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1cc(Cl)sc1Cl 113298321 OPRCPTDFNSVGNB-ZCFIWIBFSA-N 353.256 1.940 0 50 FDAA COCCN1C(=O)C[C@@H](CNCc2c(C)noc2C)[C@@H]1c1cnn(C)c1 328630197 POGGYYUTWGTTLD-KBXCAEBGSA-N 361.446 1.351 0 50 FDAA NC(=O)[C@]1(O)CCN(C(=O)C(Cc2ccccc2)Cc2ccccc2)C1 367595240 AOROSBWSXLAWED-NRFANRHFSA-N 352.434 1.537 0 50 FDAA O=C(CN1Cc2ccccc2C1=O)NCCS(=O)(=O)Cc1ccccc1 264314051 OCLFVTOPRUBXIB-UHFFFAOYSA-N 372.446 1.374 0 50 FDAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1cnc(N)nc1-c1ccccc1)C2 1704314448 QUAFGVGMNGYHFB-ZFWWWQNUSA-N 353.426 1.128 0 50 FDAA CC(C)Cn1[nH]c(CC(=O)N[C@@H]2CCN(c3ccccc3F)C2)cc1=O 820323653 OCJRHCHAYOJOSQ-CQSZACIVSA-N 360.433 1.909 0 50 FDAA Cn1nc(O)cc1C(=O)N1CCC[C@@H](c2ncc(Br)cn2)C1 1875295804 QZNAOOWWHFNEGF-SECBINFHSA-N 366.219 1.698 0 50 FDAA CCc1nc(N2CCCC[C@@H](CNC(=O)Cc3ccco3)C2)[nH]c(=N)n1 1875338701 IGYLZOFYFYDXHT-ZDUSSCGKSA-N 358.446 1.405 0 50 FDAA CCCCCC[C@H](C)NC(=O)[C@H]1C[C@](O)(c2cn([C@@H](C)C(=O)O)nn2)C1 1875355562 MVYYOAQCQGOBDF-WZTLGTBRSA-N 366.462 1.996 0 50 FDAA O=C(COCc1ccc(C(F)(F)F)cc1)NC[C@@H]1C[C@@H]2COC[C@@H]2N1 1875337684 ZFHMYIORUXEKCO-SNPRPXQTSA-N 358.360 1.715 0 50 FDAA CN(CCN1CCN(Cc2ncc(Cl)n2C)CC1)C(=O)c1ccco1 1875302257 HPGNYEYBLRXBRJ-UHFFFAOYSA-N 365.865 1.556 0 50 FDAA Cn1c(O)nnc1[C@@H]1[C@@H](C2CC2)CCN1C(=O)Cn1cc(C2CC2)cn1 1875401259 HBCOJIRNQGRZCM-ZBFHGGJFSA-N 356.430 1.594 0 50 FDAA CC(=O)N1C[C@@H](C)O[C@]2(CCN(C(=O)c3cnoc3-c3ccoc3)C2)C1 1875408181 PZUGGSCRGNKMNC-XIKOKIGWSA-N 359.382 1.787 0 50 FDAA COCc1cc(CN[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2nccn2C)no1 886086688 YSKILJMBWGGFRH-NVXWUHKLSA-N 359.430 1.539 0 50 FDAA Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)Nc1ccc(=O)n(C)c1 1317932790 VMHKJIABGOBDCN-UHFFFAOYSA-N 351.366 1.020 0 50 FDAA C[C@@H]1CN(C2CC2)CCN1C(=O)CCCn1nnc(-c2ccc(F)cc2)n1 2100540627 NOAUYVXDJZNXEU-CQSZACIVSA-N 372.448 1.955 0 50 FDAA CO[C@@H]1CC[C@H](C(=O)NCCc2cnc[nH]2)C[C@H]1NC(=O)c1ccccn1 2100555555 WQHFVFRFSUAQAZ-IAOVAPTHSA-N 371.441 1.077 0 50 FDAA COc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C(=O)O 908907 FPQLATWMHJBUEX-UHFFFAOYSA-N 365.363 1.601 0 50 FDAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCSC[C@@H]2c2cnn(CC)c2)C1 2325889579 XPRRZKORKZHVBO-GDBMZVCRSA-N 362.499 1.944 0 50 FDAA CCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccc(F)cc1 809456 KSSLHBTYLNQAQY-ZDUSSCGKSA-N 361.325 1.529 0 50 FDAA CC(C)CC[C@@]1(C(=O)O)CN(C(=O)c2nn(C)cc2Cl)CC[C@H]1O 2356141956 XLTVZCIFDWQLCR-MLGOLLRUSA-N 357.838 1.788 0 50 FDAA CCCNC(=O)N[C@@H]1C[C@@H](C(=O)NCc2ncc[nH]2)CC[C@H]1OCCC 2356162375 ARENAPCWKUJHFB-RRFJBIMHSA-N 365.478 1.699 0 50 FDAA CN(C)c1nc(N(C)C)nc(N2CC(=O)N(c3ccc(Cl)cc3)C2=N)n1 4568406 FRHTZFCGXMPDOI-UHFFFAOYSA-N 374.836 1.445 0 50 FDAA COC(=O)Cc1cc(=O)[nH]c(Nc2nc(C)c3cc(OC)ccc3n2)n1 6812821 MNHFNHHWJXXNHM-UHFFFAOYSA-N 355.354 1.489 0 50 FDAA biogenic CC(C)NC(=O)CNC(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 111440330 NOMSOOZLELSFEJ-CYBMUJFWSA-N 368.428 1.753 0 50 FDAA CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H](C)c1c(C)noc1C 246326273 KRNCEFDEWWRHCI-FZMZJTMJSA-N 357.476 1.715 0 50 FDAA CCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](n3cncn3)C2)cc1 114209276 GASBWZPTXMRSHY-AWEZNQCLSA-N 363.443 1.652 0 50 FDAA Cc1ccc(OC[C@@H]2CCCN(C(=O)CNC(=O)c3nonc3C)C2)cc1 55404528 BJIHVHJNJHIKQR-OAHLLOKOSA-N 372.425 1.734 0 50 FDAA Cc1nc(-c2cccc(C(=O)N3CCn4nc(C(=O)O)cc4C3)c2)no1 65530113 ZMFLEGQEDYZRFD-UHFFFAOYSA-N 353.338 1.596 0 50 FDAA COc1ccc(N([C@H](C)C(=O)N2CCCCC2)S(C)(=O)=O)cc1OC 65363851 IYADFFNWLMTIAP-CYBMUJFWSA-N 370.471 1.871 0 50 FDAA NS(=O)(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)ns2)C1 330502591 BRSYPFYHOUFFDN-LBPRGKRZSA-N 351.453 1.703 0 50 FDAA NC(=O)NCCC(=O)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 67490154 DGGUSMZHPGYHNX-UHFFFAOYSA-N 356.382 1.234 0 50 FDAA CC(C)c1nc(CCN(C)[C@@H]2CCS(=O)(=O)C2)n(-c2ccccn2)n1 65459698 IHXIHQKIEUNBIV-CQSZACIVSA-N 363.487 1.447 0 50 FDAA O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N[C@@H]1CCOc2ccccc21 229545604 BBVCSJBDOMPUQI-IIAWOOMASA-N 354.406 1.968 0 50 FDAA COC[C@@H](O)CNC(=O)c1cc(COc2ccc3c(c2)CCCC3)on1 67587280 HJEPZJDPCNXGGN-HNNXBMFYSA-N 360.410 1.870 0 50 FDAA COCCN1C[C@H](CNc2ncnc3sc4c(c23)CCNC4)CC1=O 65508581 FORNQGYCCNGQIC-NSHDSACASA-N 361.471 1.244 0 50 FDAA COc1ccccc1OCC(=O)N1N=C(C(F)F)C[C@]1(O)C(F)F 1459695 XWKUQAXOWGSCIA-AWEZNQCLSA-N 350.268 1.881 0 50 FDAA Cc1nc(CCNC(=O)c2cn(C[C@H]3CCCO3)nn2)nc2c1CCC2 11710090 GHCHWRYGLHQBEM-CYBMUJFWSA-N 356.430 1.017 0 50 FDAA CCn1cc(S(=O)(=O)Nc2cn(CC)nc2C(=O)NCC(C)C)cn1 2804527 AKUUIMMWWIXUED-UHFFFAOYSA-N 368.463 1.306 0 50 FDAA CC(C)c1nnc([C@@H]2COCCN2C(=O)CCOC[C@H]2CCCO2)o1 328613812 UFCIAKQTWYQYJU-KGLIPLIRSA-N 353.419 1.679 0 50 FDAA CCN(C(=O)Cn1ccc(=O)c2sccc21)[C@H]1CCS(=O)(=O)C1 331468346 FEHYNOFSCWZPCU-NSHDSACASA-N 354.453 1.099 0 50 FDAA Cc1nn(-c2ccccc2Cl)c(=O)n1CC(=O)NCCc1ccccn1 77407498 CDNMBMXCXBBACH-UHFFFAOYSA-N 371.828 1.750 0 50 FDAA NC(=O)CN1CCC[C@]2(CO)CN(Cc3ccc(Cl)cc3)CC[C@@H]12 72150510 WSQNNJLXAGPJRI-SJLPKXTDSA-N 351.878 1.474 0 50 FDAA O=C(Cn1c(-c2ccco2)nn(-c2ccc(Cl)cc2)c1=O)N1CC(O)C1 77343867 VCLJWPVJBBFVEV-UHFFFAOYSA-N 374.784 1.151 0 50 FDAA COc1ccc2nc(C3CC3)cc(C(=O)N3CCOC[C@@H]3C(N)=O)c2c1 367444238 AKCWFAWNEABBOT-QGZVFWFLSA-N 355.394 1.447 0 50 FDAA Cn1cc(C[C@H]2CCN(C(=O)c3cnn(-c4ccc(F)cc4)n3)C2)cn1 369956980 AKMOGWGKQHFUHT-CYBMUJFWSA-N 354.389 1.845 0 50 FDAA CN(C)CCn1ccc(NC(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)n1 370002037 MFITWTBVZVLOEE-AWEZNQCLSA-N 373.461 2.117 0 50 FDAA O=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1cn2cccnc2n1 219940918 XOSHRNGXFRQTMA-GDBMZVCRSA-N 353.382 1.228 0 50 FDAA COCCCN1C(=O)CC[C@H]2CN(C(=O)c3ccc(CN)cc3)CC[C@H]21 72412299 LPUDCWWDZZFWJN-ZWKOTPCHSA-N 359.470 1.635 0 50 FDAA CCOC(=O)CN(CC(F)(F)F)C(=O)[C@H]1CC12CCS(=O)(=O)CC2 373569950 XGOHMGZDBIFJOA-SNVBAGLBSA-N 371.377 1.155 0 50 FDAA O=C(O)c1ccc(CNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)cc1 238125076 HHOWJOZRLKOLRW-GOSISDBHSA-N 354.406 1.902 0 50 FDAA COc1ccccc1N1CC[C@@H](CNC(=O)N2CCN(C(C)C)C(=O)C2)C1 378589451 FFBGBLNNQZILQO-INIZCTEOSA-N 374.485 1.784 0 50 FDAA O=C(CN1CCCCCC1=O)N[C@H]1C[C@H](c2cc(=O)[nH]c(C3CC3)n2)C1 223381689 MLWVZTBOTBVVKY-OKILXGFUSA-N 358.442 1.412 0 50 FDAA CCc1c(C)nn(CC(=O)N2CCC[C@@H](c3ccnn3CC(=O)O)C2)c1C 426488446 QSOUCWFLCGUSRK-OAHLLOKOSA-N 373.457 1.750 0 50 FDAA C[C@@H](CC(=O)N1CCN(CCOc2ccccc2)CC1)N1CCOCC1 223875059 CLYAOELKKMEGAU-SFHVURJKSA-N 361.486 1.320 0 50 FDAA NS(=O)(=O)c1ccc(-c2cccc(C(=O)NC[C@@H]3CCCO3)c2)s1 426518851 UZRVZIKZYXDIJB-ZDUSSCGKSA-N 366.464 1.971 0 50 FDAA Cc1nnc(SCCCN=c2cc([C@H]3CCOC3)nc(N)[nH]2)s1 426513654 MZAWIAPWRJQUTE-JTQLQIEISA-N 352.489 1.739 0 50 FDAA COc1ccccc1CCN1CCC[C@@H](CN(C)S(=O)(=O)N(C)C)C1 95509091 XDVNYFWPLUFWCZ-INIZCTEOSA-N 369.531 1.688 0 50 FDAA CCc1nc(CNC(=O)NC[C@@H](O)COc2ccc(Cl)c(C)c2)no1 426677989 JUIVZEJYCBVJGC-LLVKDONJSA-N 368.821 1.833 0 50 FDAA Cc1nn(C)c(C)c1C[C@H](C)C(=O)N(CCC(=O)O)C[C@@H]1CCCO1 237503132 PCGBNSKEJMYTHR-WFASDCNBSA-N 351.447 1.698 0 50 FDAA Nc1nc(NCCO)cc(N2CCC[C@@H](c3nccn3CC3CCC3)C2)n1 95390673 RWFQULLFMQVRCR-OAHLLOKOSA-N 371.489 1.844 0 50 FDAA COCCCN1CC2(CCN(C(=O)c3ncc(F)cc3F)CC2)CC1=O 95362485 URKUFMDFEQMQTC-UHFFFAOYSA-N 367.396 1.851 0 50 FDAA O=C(O)CCN(Cc1cccc(F)c1F)C(=O)Cn1cc(C2CC2)nn1 238146016 SKMQTIAGZGZZKT-UHFFFAOYSA-N 364.352 1.937 0 50 FDAA CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1C(=O)N(C(C)C)c2ccccc21 230093112 LLDXMDVEDYEZEE-YOEHRIQHSA-N 372.469 1.199 0 50 FDAA CS(=O)(=O)Nc1cccc(NC(=O)NCCN2CCCOC2=O)c1 96131528 HLUWEWBMLKANPI-UHFFFAOYSA-N 356.404 1.022 0 50 FDAA O=C1CN(CC(=O)N[C@@H]2CCCc3nc(-c4ccccc4)ncc32)CCN1 91649820 FUFMOKHEFPZGDL-MRXNPFEDSA-N 365.437 1.069 0 50 FDAA COc1ccccc1-n1cc(-c2cn(CCN3CCOCC3)nn2)cn1 91550447 UGRRQULJZGXMDT-UHFFFAOYSA-N 354.414 1.472 0 50 FDAA O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(Cc2ccncc2)C1 95503734 UEYLACIZRJRKFD-MRXNPFEDSA-N 367.405 1.518 0 50 FDAA NC(=O)C1CCN(CC(=O)NC[C@H](O)c2ccc3ccccc3c2)CC1 91756082 DVWRYTWCYRGHAN-SFHVURJKSA-N 355.438 1.187 0 50 FDAA CC[C@]1(C(N)=O)CCCN(C(=O)Nc2cc(S(N)(=O)=O)ccc2C)C1 96150854 ILUDENHQMPPLDT-INIZCTEOSA-N 368.459 1.152 0 50 FDAA Cc1n[nH]c(SCC(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)n1 91876880 TVWUZVMZYIGNQY-UHFFFAOYSA-N 372.454 1.631 0 50 FDAA C[C@H]1CN(Cc2nc(COc3ccccc3)nn2CC(=O)O)C[C@@H](C)O1 97370573 LXEUZVZMRWIWFQ-OKILXGFUSA-N 360.414 1.551 0 50 FDAA COc1cccc2c1OC[C@H](CNC(=O)c1ccc(-n3cnnc3)nc1)C2 95364007 HZMNQGLUDMWKRZ-ZDUSSCGKSA-N 365.393 1.652 0 50 FDAA O=C(Cn1ccccc1=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 92081242 BJFMJDJOQQAMQV-RBUKOAKNSA-N 351.450 1.971 0 50 FDAA Cn1nccc1CCC(=O)N1C[C@H]2COc3ccccc3C[C@@]2(C(=O)O)C1 95378975 LFHIXUGJRBKKBK-MGPUTAFESA-N 369.421 1.517 0 50 FDAA COc1ccc(F)c([C@@H](C(=O)O)N2CCN(C3CCN(C)CC3)CC2)c1 95377145 DVOBQKHBMQUMOR-SFHVURJKSA-N 365.449 1.672 0 50 FDAA CN(CCN1CCCCC1=O)c1nc2c(c(=O)[nH]1)Cc1ccccc1OC2 95503005 LQJMRDSAQSAWBI-UHFFFAOYSA-N 368.437 1.702 0 50 FDAA COc1ccc2c(=O)n(CC(=O)N(C)Cc3cc(C)on3)ccc2c1OC 95507422 DFJTVUQODBJMQC-UHFFFAOYSA-N 371.393 1.974 0 50 FDAA COCC(=O)N1CCC(C(=O)N2CCCN(c3ccncc3C)CC2)CC1 91664494 HARSTLFFEIUQDK-UHFFFAOYSA-N 374.485 1.314 0 50 FDAA O=C(Cc1ccccc1)N1CC[C@@]2(O)CCN(C(=O)N3CCCC3)C[C@H]2C1 91616848 DYPXLIRQVJYWAT-WIYYLYMNSA-N 371.481 1.730 0 50 FDAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)C(=O)c2cccnc2)C3)cn1 244778613 PTSKKRDJNFSGAC-UHFFFAOYSA-N 363.377 1.643 0 50 FDAA 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0 50 FDAA O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1cc(=O)n(-c2ccccc2)[nH]1 216314381 NEXMMJJLIQCFMR-CQSZACIVSA-N 357.410 1.624 0 50 FDAA O=C(c1ccc2c(c1)CCCO2)N1CCCN(C(=O)c2cnccn2)CC1 75050986 IGLDYBDWMWGLPI-UHFFFAOYSA-N 366.421 1.790 0 50 FDAA C[C@H](N)C(=O)N1CCC2(CC1)CN(CCN(C)C1CCCCC1)C(=O)O2 77440768 AINMMCHMUXRSFT-HNNXBMFYSA-N 366.506 1.412 0 50 FDAA Cc1cc(C(=O)N2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)no1 71750752 GOTVADRZFTWBAN-AWEZNQCLSA-N 360.458 1.578 0 50 FDAA Cc1ccc(-n2cnnn2)cc1NC(=O)CCc1cc2n(n1)CCCNC2 72419278 CPEQFAGRYCAZQX-UHFFFAOYSA-N 366.429 1.232 0 50 FDAA Cc1cc(N2CCC[C@H](NS(=O)(=O)/C=C/c3ccccc3)C2=O)n(C)n1 174042608 GIRYCMRGKDFIFI-TYZQSYOASA-N 374.466 1.814 0 50 FDAA Cn1cncc1[C@@H]1NC(=O)CC[C@H]1NCc1cn2cc(Cl)ccc2n1 284475647 IPDZOWHDTGRBOT-CXAGYDPISA-N 358.833 1.831 0 50 FDAA O=C(O)CCn1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O 40391479 LATMMLJKXUDJSC-UHFFFAOYSA-N 353.313 1.720 0 50 FDAA CN(C[C@H](O)CN1CCCC1=O)C1CCN(CCc2ccccn2)CC1 175784778 IXXTWSAXMDPHLS-IBGZPJMESA-N 360.502 1.004 0 50 FDAA COc1cccc(S(=O)(=O)N2CCC[C@H](c3ccn(CCO)n3)C2)c1 426578853 RYKCLSYVAQNOEY-AWEZNQCLSA-N 365.455 1.452 0 50 FDAA O=C(COC[C@H]1CCCCO1)N1CCN(Cc2ccccc2F)C(=O)C1 91998181 JSBXVVUUPVORIM-MRXNPFEDSA-N 364.417 1.582 0 50 FDAA CS(=O)(=O)N1CCC(Oc2ccc(C(=O)N3CCC3)cc2Cl)CC1 95526945 ZXUOUIWRUXNVIF-UHFFFAOYSA-N 372.874 1.989 0 50 FDAA COc1ccc(CN2C[C@@H](CN3CCN(C)CC3)[C@@H](CO)C2)c(C)c1C 91270600 DHRMHYWYIAMZNT-WOJBJXKFSA-N 361.530 1.600 0 50 FDAA CSCCCNC(=O)c1cccc(S(=O)(=O)N2CCCOCC2)c1 95372635 OBKINKBDQWWXGY-UHFFFAOYSA-N 372.512 1.581 0 50 FDAA CO[C@H]1CCCN(S(=O)(=O)c2cccc(C(=O)NCC3CC3)c2)C1 95510593 SKQZSEDJIWDRIX-HNNXBMFYSA-N 352.456 1.626 0 50 FDAA CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1cc(S(N)(=O)=O)ccc1F 95355640 VWZVZRZKEBWVJT-CQSZACIVSA-N 368.434 1.514 0 50 FDAA CCc1noc(CN2CCN(C)[C@]3(CCC(=O)N(CC4CC4)CC3)C2)n1 91492957 NGSGQUSYVNVOKU-IBGZPJMESA-N 361.490 1.541 0 50 FDAA CCc1cc(CN2CCC(c3nnc(CN4CCOCC4)n3C)CC2)on1 96137797 ORNPIPACTJVWIZ-UHFFFAOYSA-N 374.489 1.577 0 50 FDAA O=C([C@@H]1CCCCN1Cc1ccccc1)N1CCc2[nH][nH]c(=O)c2CC1 252483242 DXXLSHRPAPKSKQ-SFHVURJKSA-N 354.454 1.685 0 50 FDAA Cc1cc(C)n(CC(=O)N2CCC[C@H]2Cn2cc(C3CC3)nn2)c(=O)n1 299743560 LIWOZHVRGFOZFQ-HNNXBMFYSA-N 356.430 1.020 0 50 FDAA O=S(=O)(c1cnn(-c2ccccc2F)c1)N1CCO[C@]2(CCOC2)C1 184293943 SCHVIQBIWVPPCN-MRXNPFEDSA-N 367.402 1.191 0 50 FDAA COc1ccc(-n2cc([C@H](C)NC(=O)N3CCCNC(=O)C3)cn2)cc1 534591376 CRGPEONUTHCOJM-ZDUSSCGKSA-N 357.414 1.473 0 50 FDAA CCc1cc(N2CCC[C@H](Cn3ccnc3)C2)nc(N2CCOCC2)n1 65430809 SJOPGQNGHDETCH-MRXNPFEDSA-N 356.474 1.989 0 50 FDAA Cc1cc(=O)c2ccccc2n1CC(=O)N[C@H]1COC[C@@H]1N1CCCC1 299755713 DJWNMNQGPCCAIY-WMZOPIPTSA-N 355.438 1.289 0 50 FDAA NC(=O)c1nc(CNC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)no1 299757758 AYWUMUJNYUFKJO-LBPRGKRZSA-N 361.358 1.048 0 50 FDAA C[C@H](NC(=O)COc1ccc2nncn2n1)c1nc2c(s1)CCCC2 299759571 OXWUXUJVTAAARH-JTQLQIEISA-N 358.427 1.716 0 50 FDAA COc1ccc(C(=O)N2CCC(C(=O)NC[C@@H]3COCCO3)CC2)cc1 299768850 ZNKVEAWHOHFWQD-QGZVFWFLSA-N 362.426 1.079 0 50 FDAA 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COCCCN1C(=S)N[C@H]2c3ccccc3O[C@@]1(C)[C@H]2C(=O)N(C)C 242495359 GCRVCGKUJQZVAT-VKJFTORMSA-N 363.483 1.767 0 50 FDAA Cn1c(CN2CCN(Cc3ccc(F)cc3)C(=O)C2)nnc1[C@H]1C[C@@H](N)C1 244872765 WDZIGIITGPRLKB-FZNQNYSPSA-N 372.448 1.003 0 50 FDAA Nc1nc(N2CCN(CCOc3ccccc3)CC2)cc([C@H]2C[C@@H](N)C2)n1 244899688 ZOABARNGSGGBCG-IYBDPMFKSA-N 368.485 1.465 0 50 FDAA C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)C(=O)NC(C)(C)C 299266530 GIJNSKZMQGGKPO-ZBFHGGJFSA-N 359.470 1.640 0 50 FDAA C[C@@H](CN(Cc1ccccc1)C(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)O 299753147 WZRSMBOTKWRAGK-LBPRGKRZSA-N 361.398 1.066 0 50 FDAA COc1ccc(CN2C(=O)[C@@H](CC(=O)NCc3ccccn3)N=C2O)cc1 252537022 KEOBWPPUYLDURT-MRXNPFEDSA-N 368.393 1.422 0 50 FDAA CCC1=NO[C@@H](CNC(=O)c2ccc(-c3ccc(NCCO)nn3)cc2)C1 534675038 YYQVLKXTDHKDLU-MRXNPFEDSA-N 369.425 1.833 0 50 FDAA CC(C)[C@H](NC(=O)c1cccc(-c2cc(N3CCCC3)cnn2)c1)C(N)=O 299766800 LHGKLQMYIFQUTC-SFHVURJKSA-N 367.453 1.984 0 50 FDAA Cc1cc(C(N)=O)c(NCc2cc3n(n2)CCN(C(=O)C(C)C)C3)nc1C 299767676 MWCBKSBFOWMWMA-UHFFFAOYSA-N 370.457 1.604 0 50 FDAA COc1ccnc(N2CCN(C(=O)c3c4c(nn3C)CCCC4)CC2)n1 299781255 KSPXSRNXSSHJRL-UHFFFAOYSA-N 356.430 1.060 0 50 FDAA COc1cccc(Cn2nc(C(=O)N3CCC[C@H](O)C3)c3c2CCNC3)c1 299792937 HPMQQYURVWMEQP-HNNXBMFYSA-N 370.453 1.183 0 50 FDAA Cc1nc(CC(=O)N2CCc3c(nc(N(C)C)nc3N(C)C)C2)cs1 299763019 ZAHRGUURNHSSPZ-UHFFFAOYSA-N 360.487 1.501 0 50 FDAA C[C@@H](NC(=O)N1CCN(CCCN(C)C)CC1)c1nc2ccccc2n1C 584898181 RVCFENDNVDNZER-MRXNPFEDSA-N 372.517 1.913 0 50 FDAA C[C@H]1CN(Cc2ccccc2CS(=O)(=O)c2ccccc2)CC(=O)N1 670457701 LQYPKSJLZAGMQN-HNNXBMFYSA-N 358.463 1.981 0 50 FDAA CCc1ncnc(CC)c1C(=O)N(C)C[C@H]1OCC[C@H]1c1n[nH]c(C)n1 952886473 PUZPZFDFFNPEDD-IUODEOHRSA-N 358.446 1.673 0 50 FDAA O=C(c1cn2cnnc2cn1)N1Cc2ccccc2O[C@@]2(CCOC2)C1 1875296055 XGCGLQKWEZTSPK-SFHVURJKSA-N 351.366 1.318 0 50 FDAA O=C(c1ccn2c(O)nnc2c1)N1Cc2ccccc2O[C@@]2(CCOC2)C1 1875295895 UMHMPHVNRCMGGX-IBGZPJMESA-N 366.377 1.629 0 50 FDAA Cc1cnccc1S(=O)(=O)N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O 1875399099 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363.417 1.921 0 50 FDAA Cc1cc(C(=O)N2C[C@H]3CN(C(=O)c4cccn4C)C[C@]3(CO)C2)c(C)o1 1772712264 QICBPCJRXFMSLT-YWZLYKJASA-N 371.437 1.442 0 50 FDAA Cc1ccccc1CC(=O)N1C[C@@H]2CN(c3nccs3)C[C@]2(CO)C1 1772804267 KSPFFJJNKTWFJS-APWZRJJASA-N 357.479 1.951 0 50 FDAA O=C(NC1CC1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 13677246 SZRKNVRBOKQHOB-UHFFFAOYSA-N 350.484 1.940 0 50 FDAA O=C(CN1C(=O)NC2(CCOCC2)C1=O)Nc1ccc(Cl)cc1F 169773473 WIQJWVDOWHPVNF-UHFFFAOYSA-N 355.753 1.519 0 50 FDAA CC[C@]12COC(=O)N1CCN(C(=O)c1cnn(-c3ccccn3)c1C)C2 1857667425 SWMLZFBHMGXLMH-SFHVURJKSA-N 355.398 1.633 0 50 FDAA COC(=O)c1coc(CN2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)n1 1857694700 UVOJWZBSPGZDGC-IBGZPJMESA-N 371.393 1.711 0 50 FDAA N=c1nc(O)c2c([nH]1)C1(CC2)CCN(C(=O)COc2ccc(F)cc2)CC1 1857713562 PUZUPPIIXAEYCZ-UHFFFAOYSA-N 372.400 1.619 0 50 FDAA Cc1cc2cccc(C(=O)N3C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C3)c2o1 1857735705 HLOPMJWFZWYKLH-ZFWWWQNUSA-N 366.439 1.066 0 50 FDAA CN1CCN([C@H]2CCN(Cc3ccccc3Cn3cccn3)C[C@@H]2O)CC1 206056959 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O=C(N[C@H]1CCc2nnc(O)cc2C1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 2325803449 HSBCFBLIXDRZNJ-OCCSQVGLSA-N 370.384 1.348 0 50 FDAA Cc1cc(F)ccc1C[C@@H](CNC(=O)C[C@@H]1CCCNC(=O)C1)C(=O)O 2325812903 QPUGDTMBDGTTPA-HIFRSBDPSA-N 364.417 1.800 0 50 FDAA Cc1c(C(=O)NS(=O)(=O)Cc2ccc(Cl)nc2)cnc2ccnn12 2325820071 ZHASKIDBCKEMGM-UHFFFAOYSA-N 365.802 1.346 0 50 FDAA COCC(C)(C)CC(=O)N1CCC[C@H]1CNC(=O)C(C)(C)c1cc[nH]n1 2325842890 MIWOSSSWXLTPFX-AWEZNQCLSA-N 364.490 1.857 0 50 FDAA Cc1nc(O)c2cc(NC(=O)[C@@](O)(CN(C)C)C(F)(F)F)ccc2n1 2325878937 BFRLWFNNRBZKIJ-AWEZNQCLSA-N 358.320 1.437 0 50 FDAA COc1ccc(S(=O)(=O)N(CC(N)=O)c2ccccc2OC)cc1 1157249 DCNOUHFZRJXQTH-UHFFFAOYSA-N 350.396 1.384 0 50 FDAA Cc1nc2nc(C)c(NC(=O)c3cc(-c4ccccc4)nn3C)c(=O)n2[nH]1 2356135558 JYDVUHCDERFSJV-UHFFFAOYSA-N 363.381 1.687 0 50 FDAA CCCN1CCC[C@@]2(CCCN2C(=O)COc2ccccc2C(N)=O)C1=O 2356138292 LDAFIJREBVMTNC-HXUWFJFHSA-N 373.453 1.558 0 50 FDAA CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)C1(Nc2ccc(OC)cc2)CCCCC1 67843552 QVZNOFGPUBRZSU-YOEHRIQHSA-N 374.485 1.484 0 50 FDAA CC(C)(C)CN1CCC[C@@](O)(CN2CCN(CC3CCC3)CC2)C1=O 20601738 XNFPDTQQSVFTMI-HXUWFJFHSA-N 351.535 1.804 0 50 FDAA CC[C@@H](C(=O)N1CCc2c(c(C(=O)O)nn2CC2CC2)C1)n1cccn1 67605568 KIDSALXFDKZDNZ-AWEZNQCLSA-N 357.414 1.724 0 50 FDAA COCCN1CCC[C@](O)(CNCc2ccc(C(F)(F)F)nc2)C1=O 67919702 XTCAPTJXULWEGA-HNNXBMFYSA-N 361.364 1.190 0 50 FDAA Cn1ncc(N2CCC(CNC(=O)CCc3cccs3)CC2)cc1=O 23153595 XINUOEJENAXFGF-UHFFFAOYSA-N 360.483 1.807 0 50 FDAA Cc1ccc(Cl)cc1N(CC(=O)NC1CCN(C)CC1)S(C)(=O)=O 67612700 IPUCDPTUOIKIFG-UHFFFAOYSA-N 373.906 1.625 0 50 FDAA CCn1cc(NC(=O)c2c(Br)cnn2CC)c(C(=O)NC)n1 2798500 ZFCOLPCNVGLONL-UHFFFAOYSA-N 369.223 1.494 0 50 FDAA CCN(CC)Cc1cnc2c(C(=O)NCCn3ccc(C)n3)cnn2c1 67805423 DROYLXIDEFVKJM-UHFFFAOYSA-N 355.446 1.506 0 50 FDAA CC(C)CN1CCN(C(=O)N[C@H](CC(=O)N(C)C)c2ccccc2)CC1=O 429758436 QKKPQBYNMSXHFX-QGZVFWFLSA-N 374.485 1.716 0 50 FDAA CS(=O)(=O)N1CCO[C@@H](c2nnc([C@H]3Cc4cccc(F)c4O3)o2)C1 328632986 LRQJVEYVFVHXDU-VXGBXAGGSA-N 369.374 1.218 0 50 FDAA CCOc1cc(NC[C@@H]2CC(=O)N(C)[C@H]2c2c(C)nn(C)c2C)ncn1 328614155 VNTCMWGVPAJTST-SCLBCKFNSA-N 358.446 1.857 0 50 FDAA Cc1nc(C)c(C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)s1 78393740 ORVNSPOHTFVGIB-UHFFFAOYSA-N 350.488 1.530 0 50 FDAA CCOc1ccc(-c2ccnc(N3CC[C@H](NC(C)=O)C3)n2)cc1C(=O)O 77525309 ISYSKPBDRXQRDE-AWEZNQCLSA-N 370.409 1.955 0 50 FDAA CN(Cc1ccc(OCCCn2ccnc2)cc1)[C@H]1CCS(=O)(=O)C1 215707577 WNEUUZPEBHDIDQ-KRWDZBQOSA-N 363.483 1.971 0 50 FDAA COCc1nc([C@H]2CCCCN2C(=O)CCn2c(C)csc2=O)n[nH]1 329536237 AZZAIHMTZIAXER-GFCCVEGCSA-N 365.459 1.627 0 50 FDAA Cn1ccnc(N2CCC[C@H](Nc3nc4c(F)cccc4n3C)C2)c1=O 367815698 RGYOEIUBCRVKSP-LBPRGKRZSA-N 356.405 1.887 0 50 FDAA CC(C)c1nc([C@@H]2CCCN(S(=O)(=O)c3cnc4n3CCC4)C2)no1 329990359 IWCNGJZLRGHIKD-GFCCVEGCSA-N 365.459 1.904 0 50 FDAA CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1n[nH]c2ccc(Cl)cc12 331748946 ZNVKTQVYZVLVCV-JOYOIKCWSA-N 370.862 1.664 0 50 FDAA Cc1nc2c(c(N(C)C)n1)CCN(C(=O)CCn1c(C)cccc1=O)C2 71764356 JSZQNEVCATVBSO-UHFFFAOYSA-N 355.442 1.296 0 50 FDAA 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352.416 1.162 0 50 FDAA CNc1cc(C)nc(N2CCn3nc(CNC(=O)C4CCCC4)cc3C2)n1 299785845 NWWVJWGNVSXXHP-UHFFFAOYSA-N 369.473 1.850 0 50 FDAA NCCCOc1cc(Cl)ccc1C(=O)N1CCN2C(=O)OC[C@H]2C1 299761657 YUECVGIZGVFPBX-GFCCVEGCSA-N 353.806 1.344 0 50 FDAA C[C@H](NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2)c1nncn1C 822280893 CILPTUIOROQAFP-VIFPVBQESA-N 357.395 1.574 0 50 FDAA O=C(N[C@H]1CCOC[C@H]1Nc1ccncn1)c1c[nH]c(C(F)(F)F)c1 952888994 UPLIPMPSSNOTTA-WDEREUQCSA-N 355.320 1.823 0 50 FDAA CC(=O)c1cc(CNCCCNS(=O)(=O)c2ccc(C)cc2)n(C)c1 952970700 SRXGSHCXWZFKBL-UHFFFAOYSA-N 363.483 1.994 0 50 FDAA O=C(NC[C@]1(CO)COC[C@@H]2CCCCN21)Nc1cccc2[nH]ccc12 1875277178 BWNKFUMELMOSKJ-LIRRHRJNSA-N 358.442 1.905 0 50 FDAA Cc1c(C(=O)N2CCc3c(cnn3C)[C@@H]2C(=O)N(C)C)cnn1C(C)C 1875394567 NMZXFMKUMJSMRU-MRXNPFEDSA-N 358.446 1.334 0 50 FDAA CC(=O)N1CC2(C1)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)CCS2(=O)=O 1875393819 ULWVGOQZDFWONK-CYBMUJFWSA-N 358.504 1.353 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)N[C@@H]2c3sccc3OC(C)(C)[C@H]2O)C1 1875371555 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1.507 0 50 FDAA COc1nc2ccccc2nc1CCC(=O)N(CCO)Cc1cnc(C)[nH]1 1704304431 FNYTUBMTDQBQCG-UHFFFAOYSA-N 369.425 1.624 0 50 FDAA O=C(NC1CC1)c1ccnc(N2CC[C@H](N3CCCCCC3)[C@@H](O)C2)c1 1616118104 NUWLZTPYNXRUCC-ROUUACIJSA-N 358.486 1.789 0 50 FDAA CN1CCC[C@@H](C(=O)N2CCCN(C(=O)c3cc(Cl)cn3C)CC2)C1 1772707669 SLTIGKBIIMZMKL-CQSZACIVSA-N 366.893 1.695 0 50 FDAA COc1ccccc1N1C[C@@H](C(=O)NCc2[nH]nc3ncccc23)CC1=O 1772813340 XKRRUZLHMRLMJX-LBPRGKRZSA-N 365.393 1.636 0 50 FDAA Cc1cc(C)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)n1 12231347 XHYOYBRJYJGKJZ-UHFFFAOYSA-N 364.409 1.285 0 50 FDAA Cc1nn(C)c(C)c1CN(C(=O)c1cn(C[C@H]2CCCO2)nn1)C(C)C 12596308 STYVUUBFVOFPOF-OAHLLOKOSA-N 360.462 1.858 0 50 FDAA CCOC(=O)C[C@H]1COCCN1C(=O)CCc1nnc(-c2ccccc2)o1 12762466 NGXPCGWJMLZJPA-HNNXBMFYSA-N 373.409 1.850 0 50 FDAA Cc1ccc(CN2CCN3C(=O)[C@H](Cc4ccccc4)NC(=O)[C@H]3C2)cc1 14741079 YSZWZTCVTNDGFI-VQTJNVASSA-N 363.461 1.749 0 50 FDAA CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN([C@H](C)CO)CC2 14748375 NFLOBDKORLFJQT-OAHLLOKOSA-N 371.481 1.653 0 50 FDAA COc1ccc([C@H]2CC(=O)c3cnc4c(c3C2)c(=O)[nH]c(=O)n4C)cc1 19821179 QBFUACRCSHNJTA-LLVKDONJSA-N 351.362 1.543 0 50 FDAA O=C(O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)NCc1ccccc1Br 169299553 HXAFKQFUZSHYEW-NDBYEHHHSA-N 354.200 1.944 0 50 FDAA COc1cccc(N2CCN([C@@H]3CCOC4(CCNCC4)C3)CC2=O)c1 1857673235 QAARONXFAXUCCA-QGZVFWFLSA-N 359.470 1.645 0 50 FDAA CCc1nc(-c2ncccn2)sc1C(=O)NCCCN1CCCC1=O 1857707994 DNTWQXLQBYVZQO-UHFFFAOYSA-N 359.455 1.905 0 50 FDAA O=C1C[C@H]2N(Cc3cnn(-c4ccccc4F)c3)CC[C@]23OCCCN13 1857725384 UGCQSDQUILZQIZ-MJGOQNOKSA-N 356.401 1.935 0 50 FDAA CCn1nccc1C(=O)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857730138 ZAFFMAACIZLMSS-HLIPFELVSA-N 366.421 1.818 0 50 FDAA O=C(c1ccc(-n2cccn2)cc1)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857735521 QSSIDCTVSMMTLM-APWZRJJASA-N 352.394 1.436 0 50 FDAA CCOC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 784357 PRGQSRARIWZGKW-UHFFFAOYSA-N 357.428 1.668 0 50 FDAA CCc1nn(C)c(CC)c1S(=O)(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1 328633006 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O=C([C@H]1CC(=O)N(C2CCCC2)C1)N(Cc1cocn1)Cc1cocn1 97776139 BNFGEIBONVSHOV-ZDUSSCGKSA-N 358.398 1.983 0 50 FDAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 238035055 MVZRZJQOJBOEKU-DOTOQJQBSA-N 368.389 1.666 0 50 FDAA CN1CCC[C@]2(CCN(C(=O)c3ccc(N4CCCC4=O)cc3)C2)C1=O 91663517 SQUYYGIUYBKGHB-HXUWFJFHSA-N 355.438 1.898 0 50 FDAA COc1ccc(F)cc1[C@@H](C(=O)O)N1CCCN(c2ncccn2)CC1 95358361 CAZNGTUHBZZTPK-INIZCTEOSA-N 360.389 1.962 0 50 FDAA O=C(O)[C@]12CN(Cc3ccncc3Cl)C[C@H]1CN(C1CCOCC1)C2 96162619 PLEBRDSYYZFQJF-KSSFIOAISA-N 365.861 1.732 0 50 FDAA CCN1CC[C@@]2(CCC1=O)CN(Cc1noc(CC(C)C)n1)CCN2C 91605123 MRBYBPSPSYZKCM-IBGZPJMESA-N 363.506 1.787 0 50 FDAA Cc1ncc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2c(C)noc2C)C3)c(=O)[nH]1 91877100 MJBMZRZIUWSYSB-LSDHHAIUSA-N 371.441 1.420 0 50 FDAA O=C(Nc1ccnn1CC1CC1)N1CCCO[C@H](CN2CCOCC2)C1 96162334 JZUHFCBDLAXVRP-MRXNPFEDSA-N 363.462 1.248 0 50 FDAA O=C1CC[C@@H](c2nc(CN3CCOCC3)no2)CN1CCc1ccccn1 91603826 FPJOCKLCVFZRGH-OAHLLOKOSA-N 371.441 1.246 0 50 FDAA Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(C(=O)c2ccc(N)nc2)C1 95376403 OSEMFAPXTBHVRH-CQSZACIVSA-N 366.429 1.057 0 50 FDAA O=C(NCc1noc([C@H]2CCCO2)n1)C1CCN(C(=O)C2CCC2)CC1 95387433 AVMPXFYBUXAPBT-CQSZACIVSA-N 362.430 1.576 0 50 FDAA CN(CC(=O)N1CCC2(CC1)OCCC[C@H]2O)Cc1ccccc1F 91382145 FVGDNCOAOPUOPP-QGZVFWFLSA-N 350.434 1.790 0 50 FDAA CCC[C@@H]1CN(C(=O)c2cn(C(C)C)cc(C(=O)O)c2=O)C[C@H]1C(=O)O 91486336 SHZDRPZGBMMCEI-VXGBXAGGSA-N 364.398 1.700 0 50 FDAA CC(C)c1ncc(CN2C[C@@H](CN3C[C@H](C)O[C@H](C)C3)[C@@H](CO)C2)cn1 92076972 GARKBCICGWILRI-UKBAYJJMSA-N 362.518 1.750 0 50 FDAA O=C(NCCc1ccc2c(c1)OCO2)c1coc(CN2CCOCC2)c1 97514311 VMFUQUYHNWKGSB-UHFFFAOYSA-N 358.394 1.813 0 50 FDAA Cc1nc([C@@H](C)N(C)C(=O)c2cnc(Cn3cncn3)nc2O)c(C)s1 91781086 HJGDMMUJGIFGJY-SECBINFHSA-N 373.442 1.729 0 50 FDAA O=C(CCc1ccccn1)N1C[C@H]2CN(CC3CCC3)C[C@@]2(C(=O)O)C1 91872232 OIHXYKFYIMBNKL-OXQOHEQNSA-N 357.454 1.659 0 50 FDAA COCC(=O)N1CCC[C@H](C(=O)NCC2(Cn3nc(C)cc3C)CC2)C1 95390055 PSXUZUWPDTZALD-INIZCTEOSA-N 362.474 1.281 0 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CCCc1cc(NCc2cc3n(n2)CCN(S(C)(=O)=O)C3)nc(C)n1 299783137 NHGUTNLXDUCMLU-UHFFFAOYSA-N 364.475 1.321 0 50 FDAA COCCN(Cc1cnn(C)c1)C(=O)Nc1cc(-c2cccnc2)nn1C 299766660 FQHWLSSFPAJXLM-UHFFFAOYSA-N 369.429 1.896 0 50 FDAA CCN(CCn1cccn1)C(=O)Nc1cc2c(cc1OC)n(C)c(=O)n2C 299801279 YMYQJEMQYNGVMP-UHFFFAOYSA-N 372.429 1.636 0 50 FDAA COC[C@H]1CCCN1S(=O)(=O)NCc1c[nH]nc1-c1ccccc1 824371034 NVIKTHPUGWJACQ-OAHLLOKOSA-N 350.444 1.522 0 50 FDAA CC(C)C1=NO[C@H](C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)C1 827791878 ATHBHSQTQYFSFC-QGQWTOSVSA-N 358.446 1.638 0 50 FDAA Cc1ccc2ncccc2c1CN1CCC2(CC1)CN(CC(N)=O)CCO2 826838764 QCJVQRQBFHCMEI-UHFFFAOYSA-N 368.481 1.695 0 50 FDAA Cn1cccc1[C@@H]1COCCN1C(=O)c1ccc(=O)n(-c2ccccc2)n1 164028460 ZFSNCCUNZYCDJA-SFHVURJKSA-N 364.405 1.785 0 50 FDAA C=CC(=O)N1CCC(C(=O)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)CC1 1875365644 JVGFONCWCOSBPN-LBPRGKRZSA-N 357.410 1.619 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)C1 1875372068 VMMICBWDYWFZTF-IINYFYTJSA-N 356.344 1.678 0 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COc1ccc(OC)c(CC(=O)N[C@H]2CCCN(c3ncccn3)C2)c1 12759288 CZRPNUPQCKOPHJ-HNNXBMFYSA-N 356.426 1.822 0 50 FDAA COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1 13744872 WGHWSSJRPQFZLZ-UHFFFAOYSA-N 366.464 1.903 0 50 FDAA CCn1nc(C(=O)NCc2ccncc2)c2c1CC[C@@H](N(C)CCOC)C2 14746466 SWKKNJZUFYCBMB-MRXNPFEDSA-N 371.485 1.664 0 50 FDAA O=C1c2ccc(O)c3c2[C@]24CCN(CC5CC5)[C@H]1[C@]2(O)CCC(=O)[C@@H]4O3 6092279 MLHMRULRADVYER-FUMNGEBKSA-N 355.390 1.166 0 50 FDAA in-vitro COC(=O)c1c(NC(=O)C(=O)NC[C@H]2CCCO2)sc2c1CCCC2 4868243 GGXXEEBSSTWQAZ-SNVBAGLBSA-N 366.439 1.647 0 50 FDAA COc1cnc(N2CC[C@@H](O)[C@]3(CCCN(C(=O)CSC)C3)C2)nc1 1857684316 IIZYUVAHZRHZAR-PBHICJAKSA-N 366.487 1.028 0 50 FDAA CC(C)c1cccc(C(=O)NC[C@H]2[C@H]3CN(CC(N)=O)C[C@]34CC[C@H]2O4)c1 1857706412 QEFHLSFKMFMTNA-XKGFGPFHSA-N 371.481 1.505 0 50 FDAA CCc1nnc(N2C[C@H](C(=O)N(C)CCC3CCOCC3)CC2=O)s1 1857737216 BONAECWXSPEPJT-CYBMUJFWSA-N 366.487 1.729 0 50 FDAA O=C1N[C@@H]2COC[C@H]1CN(S(=O)(=O)c1ccc(-c3ccccc3)cc1)C2 1875247366 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426689299 QVPQFGFNARKYLX-UHFFFAOYSA-N 366.425 1.986 0 50 FDAA OC1CN(c2nc(NCCOCc3ccccc3)cc([C@H]3CCOC3)n2)C1 426381821 WBFHWDLOJUEOOO-INIZCTEOSA-N 370.453 1.790 0 50 FDAA Cc1cccc2[nH]c(COCC(=O)N3CCC[C@@H](c4nnc[nH]4)C3)nc12 220707866 IIOCNGWUCFDFSR-CYBMUJFWSA-N 354.414 1.912 0 50 FDAA CS(=O)(=O)N1CCCC[C@@H]1CCNC(=O)c1ccc(C(=O)O)s1 426624964 ZDYNMZBEAGDWIL-SNVBAGLBSA-N 360.457 1.380 0 50 FDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)NCc1cc(F)ccc1F 20601560 PKNVUJYMFHRTIH-SFHVURJKSA-N 373.403 1.972 0 50 FDAA COC(=O)c1cc(OC)ccc1-c1ccc(C(=O)N2CCNC(=O)C2)cc1 426382829 XFYNFLXUTZKNMR-UHFFFAOYSA-N 368.389 1.721 0 50 FDAA CCn1ccc(C(=O)NCc2cc3n(n2)CCCN(CC(C)C)C3)cc1=O 82096720 OCYQLHGCDZNGML-UHFFFAOYSA-N 371.485 1.856 0 50 FDAA CN(C)C(=O)N1CCn2nc(CNC(=O)NCCc3ccccc3)cc2C1 82087802 WRXLHKGSHGREIQ-UHFFFAOYSA-N 370.457 1.422 0 50 FDAA Cc1nn(C)c(C)c1CN(C(=O)NCCc1nc(N)cc(O)n1)C1CC1 426504041 PYXPZHDTSUZUKF-UHFFFAOYSA-N 359.434 1.031 0 50 FDAA Cc1nc([C@H]2CCOC2)cc(N2CCC(C(N)=O)(N3CCCCC3)CC2)n1 426612848 NDYBXTCMDAXGFJ-INIZCTEOSA-N 373.501 1.599 0 50 FDAA Cc1ccccc1COC1CN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 95527502 KARMLTKNWHCFDF-QGZVFWFLSA-N 359.470 1.133 0 50 FDAA CCNc1ncc(C(=O)N2CCN(CCOc3ccccc3)CC2)cn1 91934537 ONRRRVODNASTNE-UHFFFAOYSA-N 355.442 1.745 0 50 FDAA O=C(c1ccccc1)N1C[C@H]2CN(C(=O)C3CCCC3)C[C@@]2(C(=O)O)C1 96161887 QYBJJVKVUFDOBW-JXFKEZNVSA-N 356.422 1.862 0 50 FDAA Cc1ccc(CN2CCC(CNC(=O)c3ccn4nnnc4c3)CC2)o1 97819580 IJQZPSDDVIBHJK-UHFFFAOYSA-N 354.414 1.668 0 50 FDAA CC(C)(C)[C@@H](NC(=O)c1nn(CCCCC(=O)O)c2ccccc12)C(N)=O 96024639 IVHZMDPVHMCCKJ-INIZCTEOSA-N 374.441 1.921 0 50 FDAA in-vitro CCn1ccnc1C1CCN(C(=O)c2cnc3sccn3c2=O)CC1 91656369 LFTOLHNOPAFMNL-UHFFFAOYSA-N 357.439 1.992 0 50 FDAA Cc1cc(C)n([C@H]2CCN(C(=O)c3ccc(N4CC(=O)NC4=O)cc3)C2)n1 91690866 IGMZCWLTQIKCQP-INIZCTEOSA-N 367.409 1.643 0 50 FDAA CN(CC(=O)N1CCC([C@H](O)c2ccccn2)CC1)Cc1cccnc1 230528773 YZGDTVFPHOWLCD-FQEVSTJZSA-N 354.454 1.881 0 50 FDAA COCc1ccc(C(=O)N2CCn3nc(CCC(=O)NC4CC4)cc3C2)o1 91943371 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COc1cc(C(=O)Nc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)ccn1 1319123218 MJAFSBJOEKIPMV-CYBMUJFWSA-N 364.427 1.515 0 50 FDAA COCCN1C(=O)C[C@@H](CNCc2occc2C)[C@@H]1c1cnn(C)c1C 275270333 JBAWAYUOFQAJSR-HNAYVOBHSA-N 360.458 1.956 0 50 FDAA Cn1ccnc(N2CCC[C@@H](NC(=O)[C@@H]3COc4ccccc43)C2)c1=O 275533049 DUWUOIRPHPOZRD-UKRRQHHQSA-N 354.410 1.042 0 50 FDAA O=C(Nc1cccc(OCc2cn3ccccc3n2)c1)[C@H]1CNCCO1 188164192 CILDVGDINBUFFL-QGZVFWFLSA-N 352.394 1.840 0 50 FDAA CC(C)N(C)c1ccc(CN2CCN([C@H](C)C(=O)NC3CC3)CC2)cn1 191202927 ZBQNBPYOUNTLQA-MRXNPFEDSA-N 359.518 1.711 0 50 FDAA O=C(c1ccncc1)N1CCC(NCc2nnnn2-c2ccccc2)CC1 1506412114 AAZOYQDYYQWZPI-UHFFFAOYSA-N 363.425 1.452 0 50 FDAA NC(=O)N1CCC[C@@H](C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)C1 1506400506 NMLYGQVSJKRFEO-IGDKPHCXSA-N 374.529 1.890 0 50 FDAA Cn1nc2n(c1=O)C[C@H](C(=O)Nc1nc3c(s1)CCCCCC3)CC2 1529181389 NLMVFQJFIMMJRO-LLVKDONJSA-N 361.471 1.898 0 50 FDAA NCCCN1C(=O)CC[C@@H]2CN(C(=O)NCC3CCCCC3)CC[C@@H]21 216901663 ZPYZMQLFBHJTFZ-SJORKVTESA-N 350.507 1.938 0 50 FDAA CN(C)S(=O)(=O)NC[C@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 11662317 YMAAWDYTQGKLFZ-CYBMUJFWSA-N 365.455 1.681 0 50 FDAA CCOC(=O)CCNC(=O)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 15077993 OQTFLZSKZOUSNP-HNNXBMFYSA-N 364.417 1.676 0 50 FDAA CCN1CCN(C[C@@H](O)COc2cccc(CNCCSC)c2)CC1 19792427 QFDQELONMODSHH-GOSISDBHSA-N 367.559 1.516 0 50 FDAA COc1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 2871497 NHEAOGGPJAULKJ-VIFPVBQESA-N 350.234 1.915 0 50 FDAA CS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C1 4855755 SJZUTUZBIFCZEM-AWEZNQCLSA-N 369.462 1.146 0 50 FDAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1nc2ccccc2c(=O)[nH]1 222426188 NFPGJVCWRYUPLF-BFQNTYOBSA-N 350.378 1.560 0 50 FDAA c1cn(Cc2nnc3n2C[C@]2(CCN(Cc4nccs4)C2)OC3)cn1 1857686178 KVEFUFWVVPVTOC-MRXNPFEDSA-N 357.443 1.154 0 50 FDAA Cc1cccc2nc(CN3C[C@@H]4[C@H](CN(C)C)[C@H]5CC[C@]4(C3)O5)cc(=O)n12 1857705922 AYDFNMGTGSOPEE-XKGFGPFHSA-N 368.481 1.544 0 50 FDAA O=C(c1cc(-c2ccccc2)on1)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857716450 MVQQWVYJPNDOSH-APWZRJJASA-N 353.378 1.905 0 50 FDAA Cc1ccc(C(=O)NC[C@H]2[C@H]3CN(C(=O)CC4CC4)C[C@]34CC[C@H]2O4)cn1 1857717683 SUCHZQOURHXZBJ-XKGFGPFHSA-N 369.465 1.926 0 50 FDAA Cc1nc(N2C[C@@H]3[C@H](CNS(C)(=O)=O)[C@H]4CC[C@]3(C2)O4)ccc1Cl 1875249778 AKKZPWZNESDTGV-KLZCAUPSSA-N 371.890 1.576 0 50 FDAA C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)c2cnc3c(c2)nnn3C)C1 333966296 QXQZTMQDHPFJQT-SNVBAGLBSA-N 356.352 1.320 0 50 FDAA CCN(CC)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1 248248795 KUYFNAUOJAFLPM-OCCSQVGLSA-N 372.516 1.153 0 50 FDAA COc1ccc(Cl)cc1S(=O)(=O)N1CC(NC(=O)C2CCC2)C1 365968150 MZDUQWJJYAXCTQ-UHFFFAOYSA-N 358.847 1.638 0 50 FDAA Cn1cc(-c2noc(-c3cc(Br)cc4nc(O)[nH]c34)n2)nn1 904805732 DSVVLEKRAGCEAQ-UHFFFAOYSA-N 362.147 1.877 0 50 FDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)C(=O)c3cccn3C)C1)CC2 1704339396 SBYQNHMAGODJJP-HXUWFJFHSA-N 367.453 1.570 0 50 FDAA O=C1[C@H](C(=O)N2CC[C@@H](N3CCOC3=O)C2)CCN1Cc1ccccc1 825025636 LYJSZEBPBBMFGS-HZPDHXFCSA-N 357.410 1.088 0 50 FDAA C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCn2nc(C3CC3)cc2C1 932610432 IPCIXVCULYMWPY-BBRMVZONSA-N 359.474 1.981 0 50 FDAA Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)N2CCCCC2)cc1 814456 NZNAGNWCLMLSPP-OAHLLOKOSA-N 350.440 1.687 0 50 FDAA Cc1nc2c(C(=O)NCCc3noc([C@@H]4CCCO4)n3)ccnc2n1C 2100557167 OHFCEWVRNIVYHT-LBPRGKRZSA-N 356.386 1.484 0 50 FDAA CNC(=O)Cc1cnc(NC(=O)CN2CCOc3ccccc3C2)s1 2100557518 WVHGCYDNNDRJHD-UHFFFAOYSA-N 360.439 1.265 0 50 FDAA CS(=O)(=O)NC1CCC(NC(=O)N[C@@H]2CCc3c(O)cccc32)CC1 2325737981 XCCDKNDVCHCPSK-KOHJWAIASA-N 367.471 1.539 0 50 FDAA Cn1ccnc1[C@@H]1CN(C(=O)c2cccc(Oc3cnccn3)c2)C[C@H]1N 2325775016 SCCWKZXVPVGPPD-HZPDHXFCSA-N 364.409 1.569 0 50 FDAA O=C(O)c1cnn(C[C@H]2C[C@@H](O)[C@H](NCc3cc4c(o3)CCCC4)C2)c1 2325786194 PNCCAGYQRFKYGY-CSMYWGQOSA-N 359.426 1.982 0 50 FDAA c1ccc(-c2nnc3ccc(=N[C@H]4CCN(Cc5ccncc5)C4)[nH]n23)nc1 2325821519 VKOOUSXHNWMDMH-INIZCTEOSA-N 372.436 1.690 0 50 FDAA C[C@]1(c2cccc(-c3noc(CC[C@@H]4CCCNC4)n3)c2)NC(=O)NC1=O 857252977 KBPZCOAGSYXINK-HXPMCKFVSA-N 369.425 1.723 0 50 FDAA C=CC(=O)NCC(=O)N1CCOC[C@@H]1c1cccc(Br)c1 2325888723 UDRSOQUMSWJTSS-CYBMUJFWSA-N 353.216 1.651 0 50 FDAA CN(C)S(=O)(=O)CCNC1CCN(c2ccc3c(c2)CCC3)CC1 67974486 ZWNSBRGZVGWOCX-UHFFFAOYSA-N 351.516 1.625 0 50 FDAA COc1ccc(-c2nnnn2C)cc1S(=O)(=O)NCCc1ccccc1 1181989 QTNPLFLIGXICSW-UHFFFAOYSA-N 373.438 1.407 0 50 FDAA COCCN1CCC[C@]2(CCCN2S(=O)(=O)Cc2ccccc2)C1=O 2356163277 WEYARZQINYYVDS-SFHVURJKSA-N 366.483 1.620 0 50 FDAA COc1cccc(-n2nnc3c(=O)n(CC(=O)NC4CCCC4)cnc32)c1 4110741 NETDNHXWIWVFNO-UHFFFAOYSA-N 368.397 1.045 0 50 FDAA Cc1cccc(C(=O)NC[C@](C)(O)C(=O)O)c1I 225274132 DRZRHTYGUPBMOP-LBPRGKRZSA-N 363.151 1.165 0 50 FDAA Cc1nc2ccc(C(=O)OCCN(C)S(=O)(=O)N(C)C)cc2s1 225470669 DSTTUGJQJBZEOC-UHFFFAOYSA-N 357.457 1.500 0 50 FDAA CCOC(=O)c1nccn1CC(=O)Nc1ccnn1Cc1ccccc1 23158255 IZYIVUYZZNYLBI-UHFFFAOYSA-N 353.382 1.943 0 50 FDAA O=C(NCc1nnc2n1CCN(Cc1ccsc1)CC2)[C@H]1CCOC1 20135685 IQTALGXXULHUKX-AWEZNQCLSA-N 361.471 1.051 0 50 FDAA C[C@H](CO)Nc1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1 67908333 KPVHSSWEOIANIR-CQSZACIVSA-N 356.426 1.953 0 50 FDAA CCn1c([C@H]2CCCNC2)nn(CC(=O)N2CCc3ccccc32)c1=O 67755829 IBRSPCHVVUKKBS-HNNXBMFYSA-N 355.442 1.121 0 50 FDAA O=C(C(=O)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1)N1CCCCCC1 67723187 FSMRSYHMJVXOOY-JKSUJKDBSA-N 374.437 1.495 0 50 FDAA COC(=O)c1cccc([C@@H]2CC(=O)Nc3cc4oc(=O)n(C)c4cc32)n1 65530496 XOBIFLYFJIKKJD-SNVBAGLBSA-N 353.334 1.787 0 50 FDAA CCCS(=O)(=O)N1CCN(c2cc(C)nc(N3CCCC3)n2)CC1 65362249 GNUACBFPMHKYPR-UHFFFAOYSA-N 353.492 1.247 0 50 FDAA CCN1CCC[C@@H](CN(C)C(=O)[C@@]2(O)CCSC2)[C@@H]1c1cnn(C)c1 328617647 CYTDMJXFYWHTTQ-YXJHDRRASA-N 366.531 1.520 0 50 FDAA CC[C@@H]1CC[C@@H](C(=O)N2CCS(=O)(=O)C[C@H]2c2cnn(CC)c2)O1 328629364 OTTYSTGAGPDGQH-ILXRZTDVSA-N 355.460 1.159 0 50 FDAA CN(Cc1cc(O)nc(N)n1)[C@H]1CCN(c2nc(C(F)(F)F)cs2)C1 328622483 BGKCOVYWCXJYOB-VIFPVBQESA-N 374.392 1.950 0 50 FDAA CCn1cc(C(=O)Nc2cnn(C)c2C(=O)Nc2cnn(C)c2C)cn1 2805048 LQSOHDPOIRZIJW-UHFFFAOYSA-N 356.390 1.183 0 50 FDAA CO[C@@H]1CC[C@H]2OCCN(C(=O)c3ccccc3CN3CCOCC3)[C@H]2C1 328772579 JQZOUQGEMQFRSW-YZGWKJHDSA-N 374.481 1.927 0 50 FDAA O=C(O)[C@]12CCCN(Cc3ccccn3)[C@@H]1CCN(c1cnccn1)C2 72447987 UCAAXQJSHQIEDJ-APWZRJJASA-N 353.426 1.817 0 50 FDAA Cc1cc(N2CCC(c3nnc(CN4CCC(O)CC4)n3C)CC2)ccn1 77564090 PJUOJZUGCSIXFX-UHFFFAOYSA-N 370.501 1.859 0 50 FDAA CO[C@H]1CN(C(=O)c2cnn3c(C(F)(F)F)cc(C)nc23)CC[C@H]1N 71752897 VYGKAWZCMIZKAM-MNOVXSKESA-N 357.336 1.245 0 50 FDAA O=C1CSCN1CC(=O)N(Cc1nccs1)[C@H]1CC12CCNCC2 435565794 UHUFKKISUISHMD-LBPRGKRZSA-N 366.512 1.147 0 50 FDAA Cc1ccncc1NC(=O)C[C@@H]1COCCN1C(=O)CCCn1cncn1 72477059 FZIQQFVUCSNHIE-OAHLLOKOSA-N 372.429 1.018 0 50 FDAA O=C(CCS(=O)(=O)c1ccccc1)NCc1nnnn1-c1ccccc1 219297325 JCLOBWPPBGMKAN-UHFFFAOYSA-N 371.422 1.143 0 50 FDAA NS(=O)(=O)c1ccc(C(=O)NCc2cc(-c3cccnc3)no2)cc1 216279750 QHNUPSSTRMMFHU-UHFFFAOYSA-N 358.379 1.314 0 50 FDAA Cc1nn(C)cc1S(=O)(=O)N1CCN(c2ccccc2Cl)CC1 11923640 RZNPXGORLBNQBF-UHFFFAOYSA-N 354.863 1.893 0 50 FDAA CCNC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F 363402767 QBUZVBLNMUQNLC-GFCCVEGCSA-N 369.368 1.145 0 50 FDAA O=C(NCc1cc(N2CCOCC2)ncn1)c1scc2c1OCCO2 72478507 BLYSVBHSKRYVOF-UHFFFAOYSA-N 362.411 1.076 0 50 FDAA Cc1cc(N2CCC[C@H](NS(=O)(=O)c3nc(C)c(C)s3)C2)n(C)n1 333340803 OYEGOJSOKPHKES-ZDUSSCGKSA-N 369.516 1.749 0 50 FDAA Cn1nccc1[C@@H]1[C@@H](C(=O)NCCCn2ccnc2)CCC(=O)N1C1CC1 368349137 QBFJTOYBADVQLN-YJBOKZPZSA-N 370.457 1.265 0 50 FDAA Cn1c(=O)n(C[C@H]2C[C@H]3CC[C@H]2O3)c(=O)c2ccc(C(F)(F)F)nc21 333703492 OLYVERCCRPAECE-FXPVBKGRSA-N 355.316 1.682 0 50 FDAA Cc1cc2nc(C)c(CCC(=O)N3C[C@@H]4[C@@H](C3)[C@H]3C=C[C@H]4O3)c(C)n2n1 333858454 RBMGLQHPFNKZOW-BRSBDYLESA-N 352.438 1.999 0 50 FDAA COc1ccc(-c2nn3c(CN4CCOCC4)nnc3s2)cc1OC 36357740 SIKNWOUOPJWTGI-UHFFFAOYSA-N 361.427 1.702 0 50 FDAA C[C@H](CC(=O)NCC(=O)N1CCN(c2ccccc2)CC1)[C@H]1CCCNC1 237602139 MDNJERWNQKPASX-MSOLQXFVSA-N 372.513 1.477 0 50 FDAA O=C(CCc1ccc(O)cc1)NC[C@H](c1ccccn1)N1CCOCC1 216437881 UARGHMQLGPIIKJ-LJQANCHMSA-N 355.438 1.910 0 50 FDAA O=C(O)C[C@H]1CN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)CCO1 262844601 UIVSBQMLWYSDTL-NSHDSACASA-N 367.789 1.185 0 50 FDAA NCCN1C(=O)CC[C@H]2CN(Cc3nc(-c4ccccc4)no3)CC[C@H]21 72423796 VZHNPGGBFRCWMT-JKSUJKDBSA-N 355.442 1.508 0 50 FDAA Cc1ccc(N2CCC[C@H](c3nnc(CN4CCC(O)CC4)n3C)C2)nn1 72429188 QKUCGPMNFUKKAV-HNNXBMFYSA-N 371.489 1.254 0 50 FDAA CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccnc1 376216628 BIGWOAFTSPUEQF-JONQDZQNSA-N 351.472 1.409 0 50 FDAA C[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)[C@H]4CCNC4)CC3)cc2NC1=O 262622605 JKDRBRMRNUUZRA-DOMZBBRYSA-N 371.437 1.437 0 50 FDAA CCCNC(=O)C[C@H]1COCCN1C(=O)c1cc(C(C)C)n2ncnc2n1 72419800 BVWAAQFKUYTUDA-ZDUSSCGKSA-N 374.445 1.005 0 50 FDAA COc1ncccc1C(=O)N1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 71762418 WMLQLJQRLLGNSI-UHFFFAOYSA-N 363.377 1.434 0 50 FDAA CN1C(=O)[C@@](CC(=O)NC(CO)CO)(Cc2ccccc2)c2ccccc21 71681341 ZXENYHSRUNKHNG-OAQYLSRUSA-N 368.433 1.003 0 50 FDAA Cc1cc(C)n(-c2ccc(C(=O)N3C[C@H]4C[C@H](O)[C@H](O)C[C@H]4C3)cc2)n1 71747434 CKGYESXOEWWULQ-XHVUQVIVSA-N 355.438 1.693 0 50 FDAA CCCOCC(=O)N1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1 72454410 MMFZJHGUFLVODJ-UHFFFAOYSA-N 362.474 1.754 0 50 FDAA Cn1cc([C@H](NC(=O)CCc2ccc3c(c2)OCO3)[C@H]2C[C@@H](O)C2)cn1 223049755 YWFFUWQIRJFUDF-ZXYWRSMDSA-N 357.410 1.710 0 50 FDAA CC(C)CN1CCn2nc(CNC(=O)[C@H]3CC(=O)OC34CCCC4)cc2C1 82120752 DQUAKFVXFUKTLM-QGZVFWFLSA-N 374.485 1.847 0 50 FDAA Cn1cc([C@H](NC(=O)c2ccc(N3CCOCC3)cc2)C2CC(O)C2)cn1 222337409 YCKNUVSFOQIXQR-XUJQIHCRSA-N 370.453 1.499 0 50 FDAA CS(=O)(=O)c1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)cc1 222362204 DTSFRCHWUCBPNK-CVEARBPZSA-N 353.440 1.404 0 50 FDAA NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2-n2cccn2)cc1 47296161 YJXVAGNHXOOKDK-UHFFFAOYSA-N 370.434 1.492 0 50 FDAA COc1ccc(C(C)(C)NC(=O)N2CCC[C@@](O)(CO)CC2)cc1OC 426371999 HQKBEJOHCYULNF-IBGZPJMESA-N 366.458 1.858 0 50 FDAA COCCN1CCC(C(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)CC1 82109066 OFDADJIQZXVBON-UHFFFAOYSA-N 359.470 1.529 0 50 FDAA O=C(NCc1cc2n(n1)CCN(C(=O)CCCn1cccn1)C2)C1CCC1 426434468 NBCKJOIZEORFHQ-UHFFFAOYSA-N 370.457 1.319 0 50 FDAA O=C(N[C@@H]1COCC[C@H]1Oc1ccccn1)c1cc2c([nH]c1=O)CCCC2 221251918 WGHREILOIBODBY-IAGOWNOFSA-N 369.421 1.615 0 50 FDAA CN(CC(=O)N1CCC[C@H](c2ccnn2CC(=O)O)C1)Cc1ccccn1 426358843 BHAAJEGZTLGBRF-HNNXBMFYSA-N 371.441 1.201 0 50 FDAA O=C(O)Cn1nccc1[C@@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1 426438547 HDRLBWCGZHACML-GFCCVEGCSA-N 353.382 1.864 0 50 FDAA CCCS(=O)(=O)c1ccccc1C(=O)N1CCC(F)(F)[C@H](CO)C1 292269175 LFLGDRQZBGDBTN-LBPRGKRZSA-N 361.410 1.960 0 50 FDAA COc1cccc([C@H]2CN(C(=O)c3cc4nc(C)cc(C)n4n3)C[C@@H]2N)c1 91494300 VKGBPWKVZHMIAQ-SJORKVTESA-N 365.437 1.922 0 50 FDAA O=C1[C@@H]2[C@H](C(=O)N1c1ccc(F)cc1)N1CCCN1[C@H]2c1ccncc1 239173954 OZKQHYGTDUWJIS-YESZJQIVSA-N 352.369 1.756 0 50 FDAA COc1ccc(-n2cccn2)c(CN2CCN(CCn3cncn3)CC2)c1 97679877 XUPFPQNJUCYYRC-UHFFFAOYSA-N 367.457 1.290 0 50 FDAA CCc1cnc(N2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)nc1 230579091 RNNHPEBXVMRJFC-KRWDZBQOSA-N 353.430 1.461 0 50 FDAA CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(OC)nn2)cc1 426358655 SEGCFKNBHXROFW-INIZCTEOSA-N 354.410 1.893 0 50 FDAA O=C(COCc1nc2ccccc2[nH]1)N1C[C@H](CO)[C@H](CN2CCCC2)C1 91997496 DBXRJFLTPSSAIL-HZPDHXFCSA-N 372.469 1.242 0 50 FDAA Cc1cnc(CN2C[C@]3(CCCN(C(=O)c4ccon4)C3)CCC2=O)cn1 91746605 DQSSKSJNDOWVME-LJQANCHMSA-N 369.425 1.818 0 50 FDAA O=C(O)[C@@]12Cc3ccccc3OC[C@@H]1CN(c1nnc3ccccn13)C2 95378941 NSORIJVKCKZKQJ-IFXJQAMLSA-N 350.378 1.872 0 50 FDAA O=C(NC[C@@H](c1cccnc1)N1CCCCC1)C1CCN(CCO)CC1 97805512 XVPBLKVMZSAJMO-IBGZPJMESA-N 360.502 1.429 0 50 FDAA CN(CCc1noc(C2CC2)n1)C(=O)CN1C[C@@H](c2ccccc2)CC1=O 95509134 VGQRMPTVAPCVCT-INIZCTEOSA-N 368.437 1.964 0 50 FDAA CCn1c(Cn2cccn2)nnc1C1CCN(C(=O)c2cnn(C)c2)CC1 91269587 HHMKOOSJLIHLAI-UHFFFAOYSA-N 368.445 1.296 0 50 FDAA COC(=O)N1CCN(c2nc3c(c(=O)[nH]2)Cc2ccccc2OC3)CC1 95525681 YRUJKOMSXFKYDB-UHFFFAOYSA-N 356.382 1.142 0 50 FDAA CC(C)N1CCC[C@@]2(CCN(C(=O)CSc3nncn3C)C2)C1=O 91519259 HLBFQJDDJRAJFN-INIZCTEOSA-N 351.476 1.157 0 50 FDAA CCC[C@H]1CN(C2CCN(C(=O)C3CC3)CC2)C[C@@H]1NS(C)(=O)=O 91625373 PQTUSIXOZSRPEC-HOCLYGCPSA-N 357.520 1.037 0 50 FDAA Cc1nnnn1-c1ccc(CC(=O)NC[C@H]2COc3ccccc3C2)cc1 95499363 AHHWUGNSUKRHIN-INIZCTEOSA-N 363.421 1.881 0 50 FDAA O=C(N1CCCO[C@@H](CN2CCOCC2)C1)C1(c2ccc(F)cc2)CC1 91616621 YBEWVXXBTJCZTK-SFHVURJKSA-N 362.445 1.807 0 50 FDAA CNC(=O)c1cc2c(s1)CCN(C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)C2 91305183 BLZJGZMXLMYLSP-LBPRGKRZSA-N 363.483 1.639 0 50 FDAA O=C(NCc1n[nH]c2c1CCCCC2)[C@H]1CC(=O)N(Cc2cccnc2)C1 95361757 UDFHLWTZKCHYGG-HNNXBMFYSA-N 367.453 1.739 0 50 FDAA Cc1ccnn1CCC(=O)N1CC[C@@]2(CCCN(C3CCOCC3)C2=O)C1 92077253 VNVSXBQLVDIEFF-FQEVSTJZSA-N 374.485 1.602 0 50 FDAA Cc1noc([C@H]2CCN(C(=O)CCc3c(C)nc4ncnn4c3C)C2)n1 244724046 MMLNQCGVWWZMKA-ZDUSSCGKSA-N 355.402 1.381 0 50 FDAA COc1ccccc1N1C[C@@H](C(=O)N2CC(n3nc(C)cc3C)C2)CC1=O 244633310 GAUJNDYQSFWVTP-HNNXBMFYSA-N 368.437 1.945 0 50 FDAA O=C(O)C[C@H]1CN(C(=O)c2cc(N3CCCC3=O)ccc2F)CCO1 299748589 HOISRQXLOMAPQQ-LBPRGKRZSA-N 350.346 1.268 0 50 FDAA CCCCn1c(O)nc(O)c([C@H]2c3cc4c(cc3CCN2C)OCO4)c1=O 263584830 BIKQANKFFJVCMZ-MRXNPFEDSA-N 373.409 1.761 0 50 FDAA biogenic Cc1nn(C)c(C)c1CNC(=O)c1nnn2c1CO[C@@H](c1ccccc1)C2 263615586 DCVQPNYXIMBVMU-QGZVFWFLSA-N 366.425 1.830 0 50 FDAA O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1n[nH]c(=O)c2ccccc12 298804220 SXPHHYLRAVKGLV-GFCCVEGCSA-N 350.382 1.112 0 50 FDAA COC(=O)[C@@H]1C[C@H](NC(=O)c2ccco2)CN1Cc1cccc(OC)c1 64058424 JTILFAFAJLBPLS-HOCLYGCPSA-N 358.394 1.834 0 50 FDAA Cc1[nH][nH]c(=O)c1CC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 299770718 QKPAVQBHSUYATG-UHFFFAOYSA-N 356.426 1.496 0 50 FDAA COc1ccc(OCCCN)c(C(=O)N2CCc3ncnc(O)c3C2)c1 299796153 MVLYXMJQFHUASX-UHFFFAOYSA-N 358.398 1.117 0 50 FDAA CN1CCC[C@@H](NC(=O)N(CCCn2ccnc2)Cc2cccnc2)C1 823770605 IXOXDWQZKJDHMS-GOSISDBHSA-N 356.474 1.974 0 50 FDAA CN(Cc1ccc2nsnc2c1)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 584893655 URFYUNUETLCNLX-AWEZNQCLSA-N 354.457 1.410 0 50 FDAA NS(=O)(=O)Cc1cccc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)c1 268953256 VNFRFXJZITWARJ-YUELXQCFSA-N 366.439 1.333 0 50 FDAA CCCCn1nc(C)c(/C=C/C(=O)N2CCOC[C@@H]2C(=O)O)c1Cl 268974470 IYZZSHUBKNUUDH-URWSZGRFSA-N 355.822 1.970 0 50 FDAA CCOc1nc(C)ccc1C(=O)N(C)C[C@H]1OCC[C@H]1c1n[nH]c(C)n1 952889333 YXUKDQHJKLHROH-UKRRQHHQSA-N 359.430 1.860 0 50 FDAA Cn1cc(C(=O)N2CC[C@@](c3nc(C4CC4)no3)(C(F)(F)F)C2)nc1O 952895689 VYEBAOBPGIKFJR-CQSZACIVSA-N 371.319 1.732 0 50 FDAA C[C@@H](OC[C@H](O)CNC(=O)c1nnc2ccccc2n1)c1ccccc1 1875259969 NEDVZTLXDPEJNA-UKRRQHHQSA-N 352.394 1.893 0 50 FDAA NC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)c3nc(C(F)(F)F)n4c3CCCC4)[C@@H]2C1 1875274631 OWFARSKCNKSAOA-DBIOUOCHSA-N 370.375 1.868 0 50 FDAA N[C@H]1CCCC12CCN(C(=O)CNS(=O)(=O)c1ccccc1)CC2 1875271229 KXAXHOYBDCDIGJ-HNNXBMFYSA-N 351.472 1.085 0 50 FDAA OC[C@@]12CN(c3ccc4nnc([C@@H]5CCCO5)n4n3)C[C@]1(C(F)(F)F)C2 1875392297 MGLOYOCWAYOKDD-COLVAYQJSA-N 369.347 1.727 0 50 FDAA Cn1nccc1-c1ccc(N2CC[C@H](C3CC3)[C@@H]2c2nnc(O)n2C)nn1 1875399813 JNNPDFGZMSNQDW-MLGOLLRUSA-N 366.429 1.689 0 50 FDAA C=CC(=O)N1CCC(C(=O)N2CCC[C@H](CC(=O)OC(C)C)C2)CC1 1875365290 BYDPGVUOUDVMIE-OAHLLOKOSA-N 350.459 1.991 0 50 FDAA CCn1nc(C)c(C(=O)N2C[C@H](C)[C@H](NC(=O)c3n[nH]cc3C)C2)c1C 1875344565 LPQSCSFUPBEYOE-SMDDNHRTSA-N 358.446 1.442 0 50 FDAA CN(C)Cc1cc(O[C@@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C2)ccn1 886095171 NFHRYGQEWIPNTI-QGZVFWFLSA-N 356.426 1.135 0 50 FDAA O=C(O)[C@@H]1CC[C@H](C(=O)NCc2ncc(C(F)(F)F)cn2)N1C1CC1 888102093 ZVIBJWFMIGOADN-MNOVXSKESA-N 358.320 1.192 0 50 FDAA CC1(C)CC(CC(=O)N[C@H]2CCOC[C@@H]2OCC(=O)O)CC(C)(C)N1 1565516287 KCCRTJGORNEUTK-KBPBESRZSA-N 356.463 1.308 0 50 FDAA O=C(Cn1cc2ccccc2n1)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1O 1565516210 KZEYZJGJVYBHJJ-OALUTQOASA-N 365.437 1.183 0 50 FDAA O=C(N[C@H]1CCN(Cc2cscn2)C[C@@H]1O)c1ccc(Cl)cn1 1565526031 LCTVVHPCBSJHCZ-JSGCOSHPSA-N 352.847 1.557 0 50 FDAA O=C(N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N1CCCC1)c1cc(O)nc2ccccc12 1565507617 JJIWFGJSEOPPOE-PZGXJPJSSA-N 353.422 1.922 0 50 FDAA O=C(N[C@H]1CCOC[C@@H]1OCc1ccccn1)c1cn2cccnc2n1 1565512513 XOSHRNGXFRQTMA-HOCLYGCPSA-N 353.382 1.228 0 50 FDAA Cc1nc(S(=O)(=O)NC(=O)c2cc(C)n(C3CCCCC3)n2)cn1C 408495955 GWGXIFWZWMKHQD-UHFFFAOYSA-N 365.459 1.857 0 50 FDAA Cc1nc(COc2ccc(S(=O)(=O)N3CC(CO)C3)cc2)cs1 408525401 COVOSNGGXZTQLN-UHFFFAOYSA-N 354.453 1.643 0 50 FDAA CCO[C@@H]1C[C@@](CO)(NC(=O)CCNC(=O)Cc2ccccc2)C1(C)C 188885296 RZVDBBAWOSGBSR-UZLBHIALSA-N 362.470 1.418 0 50 FDAA COc1ccc2c(c1)OC[C@@]1(C(=O)O)CN(C(=O)N3CCOCC3)C[C@@H]21 1073318933 OWQODVFWQMXIPB-KSSFIOAISA-N 362.382 1.010 0 50 FDAA Cn1cnnc1SCC(=O)N[C@H](CCn1cncn1)c1ccccc1 1506415609 ZJXBEJGNCUMADI-CQSZACIVSA-N 357.443 1.447 0 50 FDAA Cc1ccc(N2C(=O)C[C@H](N3CCN(c4ccccn4)CC3)C2=O)cc1 688171 FNSYNEITSVRIPB-KRWDZBQOSA-N 350.422 1.844 0 50 FDAA O=C(c1ccccc1N1CCOCC1)N1C[C@H](O)[C@H](Cc2ccncc2)C1 1529173510 XDDXCBNHBFCADL-XLIONFOSSA-N 367.449 1.594 0 50 FDAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N2CCN(C)C(C)(C)C2)OCC(=O)N1C 1529197927 ZBRKRNPTOLMPKW-MSOLQXFVSA-N 359.470 1.446 0 50 FDAA COc1ccc(CNC(=O)CN2CCC[C@]3(CCC[C@H]3O)C2)cc1OC 1704330505 XKACYBAHSGPLBV-UYAOXDASSA-N 362.470 1.947 0 50 FDAA CN1CC[C@@H](C(=O)N2CCCN(C(=O)c3cccc4ncccc34)CC2)C1 1772710034 NTRSAHVTKIVCSM-MRXNPFEDSA-N 366.465 1.861 0 50 FDAA Cc1ccoc1C(=O)N1CCCN(C(=O)c2nnc3n2CCCC3)CC1 1772815082 IJVQBJINWBNWHU-UHFFFAOYSA-N 357.414 1.504 0 50 FDAA CN1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)CC1=O 5077805 WFKCBXBQLAZUCL-ZDUSSCGKSA-N 373.434 1.904 0 50 FDAA CN(Cc1ccon1)C(=O)C[C@H]1C(=O)NCCN1CCCc1ccccc1 12595549 ATMZLHWGOYPQEV-SFHVURJKSA-N 370.453 1.456 0 50 FDAA C[C@H]1C(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)C[C@@H]2C(=O)N1C 14538068 MXOGTKXFWKRIQR-GXFFZTMASA-N 369.343 1.219 0 50 FDAA O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)CNCc1ncc[nH]1 15080335 LGGZWOQRKSJCRV-QGZVFWFLSA-N 350.369 1.331 0 50 FDAA CC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 15080521 PNZLNINKFSSOLS-NSHDSACASA-N 366.361 1.874 0 50 FDAA CCc1nnc(SCC(=O)Nc2nnc(C)s2)n1C[C@@H]1CCCO1 6698621 IKPXGVNYUHGLGM-JTQLQIEISA-N 368.488 1.910 0 50 FDAA CN(C)CC(=O)N1C[C@@H](C(=O)O)C2(CCN(CC3CCCCC3)CC2)C1 1857691085 YPKUNUODBQDNDX-KRWDZBQOSA-N 365.518 1.754 0 50 FDAA Cc1cc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](CCO)CN3C2)c2ccccc2n1 1857726381 OGOGAFFWTJKGHG-PMPSAXMXSA-N 355.438 1.497 0 50 FDAA Cc1cc(C)nc(N2C[C@@H]3[C@H](CNC(=O)c4cnc[nH]4)[C@H]4CC[C@]3(C2)O4)n1 1857729474 CGYJHVJFWPQKAF-XWESNNAXSA-N 368.441 1.230 0 50 FDAA CCOc1ccc(CCCC(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3)cc1C 1875249017 DZCGSSQQMDPCJZ-SJORKVTESA-N 360.454 1.690 0 50 FDAA O=C(Cc1nc2ccccc2[nH]1)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CC1 212487401 IEVADYFOWZUGMK-CABCVRRESA-N 352.438 1.965 0 50 FDAA O=C(c1ccccc1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 4487263 FIHNETXMROQNGF-UHFFFAOYSA-N 351.472 1.565 0 50 FDAA CC[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCO3)CCN1C[C@@H](C)O 329093490 BAHQHWHJYCMAEF-ZBFHGGJFSA-N 368.499 1.477 0 50 FDAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)Cc1ccc(F)cc1 247844005 GICAIECFKQFRKD-WBVHZDCISA-N 368.412 1.921 0 50 FDAA Cc1nn(C)cc1CC(=O)N1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 818498949 VQSQTJZGXSALJL-SFHVURJKSA-N 359.430 1.128 0 50 FDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(c3nccnc3N(C)C)C1)CC2 1704313292 IFOFCTLVHIKMQI-IBGZPJMESA-N 353.474 1.883 0 50 FDAA O=C1CCCN1Cc1ccc(CNC(=O)[C@@]23CCOC[C@@H]2CNC3)cc1 912343811 IDSNSEZBYHRHMH-FXAWDEMLSA-N 357.454 1.051 0 50 FDAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1n[nH]c(C2CCN(C)CC2)n1 823766008 QGLLATOGJKCGAE-CQSZACIVSA-N 357.462 1.931 0 50 FDAA CCc1noc(C)c1C(=O)N[C@@H]1C[C@H](C(=O)NCc2ccccn2)C[C@H]1O 2100544644 CMSOIOYOJKAUDS-APHBMKBZSA-N 372.425 1.126 0 50 FDAA COc1cc2nc(S)n(CCN3CCOCC3)c(=O)c2cc1OC 18244278 NQDAKYQBANJWBR-UHFFFAOYSA-N 351.428 1.035 0 50 FDAA COCCN(C)c1ccnc(C(=O)N=c2ccn(Cc3ccncc3)[nH]2)c1 2325746101 NWFCTKAUMUCRMD-UHFFFAOYSA-N 366.425 1.478 0 50 FDAA COc1ccc(C)c(S(=O)(=O)NC(=O)[C@@H](C)Oc2ccccn2)c1 2325802176 NKZCZJLBCMQUMJ-GFCCVEGCSA-N 350.396 1.671 0 50 FDAA O=C(NS(=O)(=O)N1CCNCC1)c1ccc(-c2ccccc2F)s1 2325866071 ZXUUYCUASYMWAM-UHFFFAOYSA-N 369.443 1.434 0 50 FDAA Cc1ccc(C)c(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 4991496 PWZUMVFWPIGFKM-UHFFFAOYSA-N 354.453 1.429 0 50 FDAA CC(C)c1ccccc1N(CC(=O)NC1CCN(C)CC1)S(C)(=O)=O 65363105 FEUIEQJBOKMZJS-UHFFFAOYSA-N 367.515 1.786 0 50 FDAA Nc1nnnn1CC(=O)NCc1cccnc1Oc1ccc(F)cc1F 67787651 RGLWMSKFLHMTMK-UHFFFAOYSA-N 361.312 1.037 0 50 FDAA COc1cccc(N([C@H](C)C(=O)NC[C@H]2CCCO2)S(C)(=O)=O)c1 65362414 ODNURYYDQGOXQD-IUODEOHRSA-N 356.444 1.145 0 50 FDAA O=C(NCc1cccc(F)c1)C1CCN(c2ccc3nnnn3n2)CC1 121323949 WFVOAUATKJXWQW-UHFFFAOYSA-N 355.377 1.191 0 50 FDAA CN1CCC2(CC1)CN(C(=O)Cn1ccnc1-c1ccccc1)CCN2C 67855456 RTNJHBGGCKEPNR-UHFFFAOYSA-N 367.497 1.789 0 50 FDAA CN1CCCn2nc(C(=O)N3CCC[C@H](C(=O)c4ccccn4)C3)cc2C1 65397568 OXTHTEWVUUCEAJ-HNNXBMFYSA-N 367.453 1.849 0 50 FDAA O=C(CN1C(=O)CNC1=O)N1CCC[C@]2(C=Cc3ccccc3O2)CC1 65465704 JSJMJALOSKOZNL-IBGZPJMESA-N 355.394 1.395 0 50 FDAA COCc1cccc(C(=O)N2CCC[C@H](N(CC(=O)O)C(C)=O)CC2)c1 328648006 UGEIMTCSHRDMHH-KRWDZBQOSA-N 362.426 1.761 0 50 FDAA CN(CCc1ccccn1)c1ncccc1CNC(=O)CN1CCOCC1 67850155 JTIJZVVRZGOISL-UHFFFAOYSA-N 369.469 1.104 0 50 FDAA CN(C(=O)[C@@H]1CCc2nn[nH]c2C1)[C@@H]1CCN(c2ccccc2F)C1=O 328795891 UIIRXSMFRKXZIH-BDJLRTHQSA-N 357.389 1.313 0 50 FDAA N=C(O)Cn1cc(C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)nn1 329642162 YEQGLFBXJPSRLX-UHFFFAOYSA-N 362.434 1.068 0 50 FDAA CC(C)(C)OC(=O)N1CCCC[C@H]1C1(O)CN(C(=O)C(F)(F)F)C1 214481784 LPVVLQQDVSMELK-JTQLQIEISA-N 352.353 1.912 0 50 FDAA COCC(=O)NC[C@]1(O)CCCN(C(=O)NCc2cccc(F)c2)CC1 72170166 GFNMVUZJXJEYQD-SFHVURJKSA-N 367.421 1.015 0 50 FDAA COCCCN1C(=O)CC[C@H]2CN(C(=O)c3ncc(F)cc3F)CC[C@H]21 72454696 HSDLFDMRWAOWKZ-SWLSCSKDSA-N 367.396 1.849 0 50 FDAA CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC(OCc2ccccn2)CC1 219405278 BOMZGADDRWYDFQ-SFHVURJKSA-N 371.441 1.060 0 50 FDAA O=C(Nc1cnn(C[C@@H]2CCCO2)c1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 363968207 ORXMZBQPCWIHBW-SDDRHHMPSA-N 360.336 1.458 0 50 FDAA COCCOCC(=O)N1CCc2c(nc(-c3ccccn3)nc2N(C)C)C1 72134475 XMTUDPSFSBMNTF-UHFFFAOYSA-N 371.441 1.152 0 50 FDAA COCc1nc(CNC(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)cs1 332852357 LSFFVTKIUSEWRQ-STQMWFEESA-N 373.500 1.541 0 50 FDAA Cc1cncnc1C1CCN(C(=O)CCc2c(C)nc(=O)[nH]c2C)CC1 214988854 SDUAHBFCTOSAFU-UHFFFAOYSA-N 355.442 1.824 0 50 FDAA Cc1c(C(=O)NC[C@@H]2CN(C3CC3)CCO2)cnn1Cc1ccccc1 127189915 YILFFIQGAGAACX-GOSISDBHSA-N 354.454 1.833 0 50 FDAA C[C@H]1CN(C(=O)Nc2nnc(C3CCOCC3)s2)C[C@H](C2CC2)O1 333668603 NJMQQZGGZQDXOP-GXFFZTMASA-N 352.460 2.463 0 50 FDAA Cc1nnnn1CC(=O)N1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 71614745 UDWNKHDGAXGGSP-GOSISDBHSA-N 374.464 1.880 0 50 FDAA CN1CCN(c2cc(NC[C@]3(O)CCc4ccccc43)ncn2)CC1=O 377135999 JGRNFMVKLPGBPJ-LJQANCHMSA-N 353.426 1.001 0 50 FDAA Cc1cc(-c2cn3cc(C(=O)N4CCC[C@@H]4CO)nc3c(=O)n2C)c(C)o1 72419194 TUGOTYLJVDHNAQ-CYBMUJFWSA-N 370.409 1.507 0 50 FDAA Cc1c(NC(=O)C(=O)N2CCOC[C@H]2[C@H]2CCCO2)cccc1N(C)C 377317669 CKUROPZBWXSBFJ-DLBZAZTESA-N 361.442 1.406 0 50 FDAA O=C(O)CCc1cc2n(n1)CCN(S(=O)(=O)c1ccc(Cl)cc1)C2 72463425 QDVMNRKIRVWPLJ-UHFFFAOYSA-N 369.830 1.758 0 50 FDAA Cn1nncc1C(=O)N1CCC[C@H]1c1nc(Cc2ccc(F)cc2)no1 374248259 BBCGOBABIUYGIK-ZDUSSCGKSA-N 356.361 1.905 0 50 FDAA Cc1nn(CC(=O)N2CCC[C@H](c3ccncn3)C2)c(=O)c2ccccc12 215020335 MLVMCKKHBBKOKN-HNNXBMFYSA-N 363.421 1.901 0 50 FDAA Cn1ccnc1[C@@H]1CNCCN1S(=O)(=O)C1=Cc2ccccc2CC1 375194338 KOILWZPGJZEWIH-KRWDZBQOSA-N 358.467 1.684 0 50 FDAA CC(C)c1nc(NCCS(=O)(=O)N2CCCC2)c2cnn(C)c2n1 72147849 MLUPEZZVXPDNLJ-UHFFFAOYSA-N 352.464 1.324 0 50 FDAA O=C(CCN1CCCS1(=O)=O)Nc1ccc2sc(C(=O)O)cc2c1 263266115 VGIAHPFFDNNSFP-UHFFFAOYSA-N 368.436 1.964 0 50 FDAA Cc1ccc2ncc(C(=O)N3CCOC[C@@H]3[C@H]3CCC[C@H]3O)c(=O)n2c1 286091640 DLYKZLHIQUJTGJ-FVQBIDKESA-N 357.410 1.005 0 50 FDAA Nc1nc(C2CC2)ncc1C(=O)NCc1ccccc1CN1CCOCC1 287346558 ZDBINELRGMIBBB-UHFFFAOYSA-N 367.453 1.698 0 50 FDAA O=C1C[C@@H](C(=O)N2CCN(CC(F)(F)F)CC2)CN1Cc1ccccn1 47629300 KIKSCSYNCOWEMA-CYBMUJFWSA-N 370.375 1.137 0 50 FDAA CCc1cnc(C)nc1NCc1cc2n(n1)CCCN(S(C)(=O)=O)C2 82097180 CZRCIGVRCQFQEG-UHFFFAOYSA-N 364.475 1.321 0 50 FDAA CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCN(c2ccccc2OC)C(=O)C1 82108912 MKBWLZNSDMRFGB-CABCVRRESA-N 373.453 1.423 0 50 FDAA CCCn1nc(C)cc1NC(=O)Cn1cc(-c2cc(OC)nc(N)n2)cn1 48246298 JFCGFNXCGNTPGH-UHFFFAOYSA-N 370.417 1.485 0 50 FDAA Cc1ncsc1CCC(=O)NC[C@H](c1ccncc1)N1CCOCC1 82114409 IPOFHCWZQXTSHK-MRXNPFEDSA-N 360.483 1.969 0 50 FDAA CS(=O)(=O)NC1CCN(C(=O)c2ccc(-c3c[nH]ccc3=N)cc2)CC1 426371971 GSKNNKHPGPCONJ-UHFFFAOYSA-N 374.466 1.315 0 50 FDAA Cc1cc(C)c2c(=O)n(CC(=O)Nc3ccccc3C)c(=O)n(C)c2n1 20418823 MGFJYLRMTRQMFI-UHFFFAOYSA-N 352.394 1.659 0 50 FDAA Cc1nc(N2CCN(C)CC2)ncc1C(=O)N1CCCC[C@H](N(C)C)C1 82133424 QDWRTQZOIXIJJE-INIZCTEOSA-N 360.506 1.093 0 50 FDAA CN(C)C[C@]1(O)CCN(C(=O)c2ccc(-c3cc(C(=O)O)ccn3)cc2)C1 426510520 XDUMJXQFGRKGHX-HXUWFJFHSA-N 369.421 1.585 0 50 FDAA CNC(=O)c1ccn([C@H]2CCCN(c3ncnc4c3ncn4C3CC3)C2)n1 292605801 CEVFMOIYKUXZNZ-ZDUSSCGKSA-N 366.429 1.559 0 50 FDAA CN(C)Cc1ccc(CNC(=O)N2CCN(C3CCOCC3)CC2)cc1 83173129 WBVDGMOZWQHEAY-UHFFFAOYSA-N 360.502 1.754 0 50 FDAA Cn1ncc(C(=O)O)c1C(=O)Nc1ccc(N2CCOCC2)c(Cl)c1 20615005 NWHQBJFNHPMWRL-UHFFFAOYSA-N 364.789 1.861 0 50 FDAA O=C(NCc1noc(-c2ccc3c(c2)OCO3)n1)[C@H]1CC[C@@H](C(=O)O)C1 426361117 BOKHRJDPDCGNHM-GXSJLCMTSA-N 359.338 1.582 0 50 FDAA CN1CC[C@]2(CCC1=O)CN(CCn1c(=O)oc3ccccc31)CCN2C 95387660 FPOSWPZENZUSGS-HXUWFJFHSA-N 372.469 1.223 0 50 FDAA O=S(=O)(N1CCCC1)N1CCCN(Cc2ccc3c(c2)OCO3)CC1 97729823 BSDTXEZCGXMFQT-UHFFFAOYSA-N 367.471 1.264 0 50 FDAA O=C(c1cc(-c2ccc(O)cc2)n[nH]1)N1CCN(C(=O)[C@H]2CCCO2)CC1 91616498 FXLTYUNXIOIJIM-QGZVFWFLSA-N 370.409 1.246 0 50 FDAA O=C1CCC2(CCN(C(=O)c3ccc(O)c(Cl)c3)CC2)CN1CCO 91636288 OWPHDFSPSOMMCF-UHFFFAOYSA-N 366.845 1.883 0 50 FDAA CCc1cc(C(=O)N2CCC3(CC2)[C@@H](C(=O)O)CC(=O)N3C)cs1 91390910 QDIGJXJGIBTUMH-CYBMUJFWSA-N 350.440 1.848 0 50 FDAA CCOCC(=O)N1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 92037467 MFZVPPSNYGAINL-UHFFFAOYSA-N 358.446 1.600 0 50 FDAA O=S(=O)(CCNc1ncnc2c1Cc1ccccc1OC2)N1CCCC1 95500029 CYUSKOHICGSJAC-UHFFFAOYSA-N 374.466 1.797 0 50 FDAA O=C(c1ccc(CO)o1)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 95527797 GHVAVLZKBFFCSE-WCQYABFASA-N 361.423 1.492 0 50 FDAA COC[C@@H](c1ccccn1)N(C)C(=O)c1ccc(Cn2cnnn2)cc1 97610117 ZTZFXPKNAZBCPX-KRWDZBQOSA-N 352.398 1.576 0 50 FDAA Cc1ccc(C)c(NC(=O)CN2CCC3(CC2)C(=O)NCCCN3C)c1 244678573 IGAUTFGZECPDBW-UHFFFAOYSA-N 358.486 1.528 0 50 FDAA Cc1ccc(C(=O)N[C@H]2C[C@@H](c3nnc(Cn4cccn4)n3C)C2)cc1O 253393963 WCZQUYRMGDGFCJ-GASCZTMLSA-N 366.425 1.750 0 50 FDAA C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)nc1)c1nc2ccccc2[nH]1 184845115 CHVMJCQKXSRDSP-NSHDSACASA-N 373.438 1.699 0 50 FDAA Cc1nc(CCNC(=O)N2C[C@H]3C[C@H](O)[C@@H](O)C[C@H]3C2)sc1Cl 534583079 CSIUDUCFLTWATH-USZNOCQGSA-N 359.879 1.421 0 50 FDAA Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3C(=O)NCCN(C)S(C)(=O)=O 299768929 RMYAKKBOZLQUJS-CQSZACIVSA-N 363.483 1.904 0 50 FDAA O=C(CCC(=O)N1CC[C@@H](Nc2ncccn2)[C@H](O)C1)c1ccc(F)cc1 299784489 HJZQMPWBOPHJHI-NVXWUHKLSA-N 372.400 1.653 0 50 FDAA Cc1nn(C)cc1CN1CCn2nc(CNC(=O)C3CCCC3)cc2C1 299777738 OEANEOQRCPDHAE-UHFFFAOYSA-N 356.474 1.747 0 50 FDAA Cn1cc([C@@H]2[C@@H](CNC(=O)c3cccnc3)CCC(=O)N2C2CC2)cn1 952853077 ZWCJFJDVYUYQOC-ACJLOTCBSA-N 353.426 1.687 0 50 FDAA CSC[C@H](O)CN1CC2(C1)CN(C(=O)c1cccc(F)c1)CCO2 952894679 PCANBKKDOFRMIE-OAHLLOKOSA-N 354.447 1.076 0 50 FDAA C[C@@H](c1ccc(F)c(F)c1)N(C)c1ncnc2c1ncn2C(CO)CO 1875269168 LAYDWRMHGBLHML-JTQLQIEISA-N 363.368 1.828 0 50 FDAA C=CC(=O)N1CCN(C(=O)c2nn(C)c(C)c2Br)[C@@H](C)C1 1875381257 OOTJTIAPXAONMD-VIFPVBQESA-N 355.236 1.350 0 50 FDAA CN(C(=O)c1ccc2cccc(CN)c2c1)[C@@H]1CCN(S(C)(=O)=O)C1 1875314945 BFQQRNFRVVIEFX-MRXNPFEDSA-N 361.467 1.404 0 50 FDAA CN(C(=O)Cc1csnn1)[C@H]1CCN(C(=O)c2ccc3c[nH]nc3c2)C1 1875360373 GXSVMYCMIZLJMH-AWEZNQCLSA-N 370.438 1.330 0 50 FDAA NC(=O)CN1CCC[C@H](C(=O)N[C@H](CCn2ccnc2)c2ccccc2)C1 952975015 XTALEJSAGAVGJL-ZWKOTPCHSA-N 369.469 1.328 0 50 FDAA Cc1noc(C[C@@]2(O)CCCN(C(=O)CCOCc3ccccc3)C2)n1 886096699 JVDJJLILNQBZNE-IBGZPJMESA-N 359.426 1.881 0 50 FDAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C)C2 1565512581 LAMZJXDBLHGPRD-RDJZCZTQSA-N 360.483 1.895 0 50 FDAA Cn1c(=O)n(CC(=O)N2CCCCC[C@H]2c2ncon2)c2ccccc21 276205261 JYEHPECWSWYZET-HNNXBMFYSA-N 355.398 1.867 0 50 FDAA CCc1ccc(C(=O)O)cc1S(=O)(=O)N1CC(=O)N(CC2CC2)C1 278643145 JARKMELIPOQJEA-UHFFFAOYSA-N 352.412 1.148 0 50 FDAA Cc1nc(-c2ncccn2)sc1C(=O)N[C@H](C)[C@H](C)N1CCOCC1 170886957 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Cc1ccccc1C(=O)NCC(=O)N1CCC(CCN2CCOCC2)CC1 363663759 UXDUZGBVHUEATL-UHFFFAOYSA-N 373.497 1.686 0 50 FDAA NC1(C(=O)N2C[C@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)CC1 72479049 BILOCLTVTSJILW-ZTFGCOKTSA-N 355.438 1.295 0 50 FDAA C[C@@H](Oc1ncccc1C(=O)NCCN1CCCOCC1)C(F)(F)F 241231015 KRGLUIKKQKFFNQ-GFCCVEGCSA-N 361.364 1.863 0 50 FDAA CCc1onc(C)c1NC(=O)N1CC[C@H](Nc2ccc3nccn3n2)C1 333127298 IBKHFRJVUYDUTD-LBPRGKRZSA-N 355.402 2.306 0 50 FDAA CN1CC2(CCNCC2)C[C@@H]1C(=O)NCCOc1ccccc1Cl 72422782 FXOQIDFTGKWLDE-OAHLLOKOSA-N 351.878 1.909 0 50 FDAA O=C(c1cccc(OC(F)F)c1)N1CCOC[C@@](O)(CN2CCCC2)C1 77505217 FZSOCLKQSGPTTQ-GOSISDBHSA-N 370.396 1.587 0 50 FDAA CC[C@H](C)[C@H](N)C(=O)NCc1cc2c(nc1OC)CN(C1CCCC1)C2=O 71385603 MYJCAZWYDSVLRV-SJCJKPOMSA-N 374.485 1.978 0 50 FDAA COc1cccc(CCc2ccccc2C(=O)NC[C@@]2(O)CCNC2)c1 72169608 TXHROVGRSICAJR-OAQYLSRUSA-N 354.450 1.935 0 50 FDAA Cc1cccnc1CN1CCN(C(=O)CSCCN2CCCC2)CC1 72453734 MGQGAUXSBPQILJ-UHFFFAOYSA-N 362.543 1.863 0 50 FDAA 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1.441 0 50 FDAA COc1ccccc1[C@@H]1CNC(=O)c2nc(Cc3ncnn3C)[nH]c2C1 95357081 JELVUOJCTNIELJ-NSHDSACASA-N 352.398 1.207 0 50 FDAA CCN1CCN(C[C@@H]2CN(C/C=C/c3ccc(OC)cc3)C[C@@H]2CO)CC1 91664063 BXQZXOKFLUFYEA-QLAYCGNHSA-N 373.541 1.886 0 50 FDAA COCCN(C)CC(=O)N1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1 91973813 JOWXMIDEAGKTEF-HXUWFJFHSA-N 365.518 1.738 0 50 FDAA Cc1cc(CN2CCN(C(=O)Cc3ccc4c(c3)NC(=O)C4)CC2)no1 181797041 DDUAPINSDIQFSP-UHFFFAOYSA-N 354.410 1.365 0 50 FDAA COc1ccc(CN(Cc2ccncc2)C(=O)C[C@@H]2CNCCO2)cc1 97425426 IXPJFJZQEANOLO-LJQANCHMSA-N 355.438 1.998 0 50 FDAA CC/C=C/CC(=O)N[C@H]1C[C@@H](C(=O)NCC)N(C(=O)c2ccc(O)cc2)C1 96163607 LPRLHTVDLCKFTA-KAWBWNIXSA-N 373.453 1.584 0 50 FDAA Cc1cccnc1CCNC(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 296709082 LBKVGLZUIKGBRV-HNNXBMFYSA-N 366.487 1.142 0 50 FDAA COc1ccc([C@@H](NC(=O)CCn2cc(Cl)cn2)[C@H]2C[C@H](O)C2)cn1 243914978 BLEUVYJTUSMUOQ-SUYBPPKGSA-N 364.833 1.959 0 50 FDAA COc1cncc([C@H](NC(=O)C2(Cn3cccn3)CC2)[C@H]2C[C@@H](O)C2)c1 244900255 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CN(C)C[C@@H]1COCCN(C(=O)Nc2cc(F)c3c(c2)NC(=O)CO3)C1 299799926 WKMPBRITZPOVRR-NSHDSACASA-N 366.393 1.199 0 50 FDAA Cc1cc(N2CCCN(C(=O)CCC(=O)Nc3nncs3)CC2)ccn1 828087002 PPCWVVMOVJHDOK-UHFFFAOYSA-N 374.470 1.699 0 50 FDAA CN(C)C(=O)[C@@H]1CCCN1C(=O)NCCc1noc(-c2ccccc2)n1 584891352 UQXBLGDEMFTQJK-AWEZNQCLSA-N 357.414 1.541 0 50 FDAA CO[C@H]1C[C@@H](CNC(=O)Cn2nc(C)cc2C)N(c2cc(C)ncn2)C1 952890871 LGYOSTCEIBKMND-HOTGVXAUSA-N 358.446 1.008 0 50 FDAA CN1CCN(C(=O)C(=O)NC[C@@]23CC=C[C@@H](C2)OC3)[C@@H](c2ccccc2)C1 1875293593 WGINMDMHWJYONE-WAOWUJCRSA-N 369.465 1.353 0 50 FDAA C[C@@H](NC(=O)c1ccoc1)C(=O)NC[C@@H]1CCCN1Cc1ccccn1 1875362274 YQJRYEFCESYXFU-PBHICJAKSA-N 356.426 1.574 0 50 FDAA C[C@@](N)(C(=O)NCC1=NO[C@@H]2COC[C@H]12)c1ccc(C(F)(F)F)cc1 1875305238 NPOVDNDWYVBBKS-KYOSRNDESA-N 357.332 1.397 0 50 FDAA CC[C@@]1(O)CCN(C(=O)c2cc3[nH]c(-c4ccccc4)cc(=O)n3n2)C1 1875309983 XMYJCBOGIJKMDZ-LJQANCHMSA-N 352.394 1.677 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1cc(N2CCCC2)ccn1 1875403343 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COc1ccc(Cc2noc([C@H]3C[C@H](OC)CN3C(C)=O)n2)cc1OC 275682402 QFTPFAUISDZQIF-UONOGXRCSA-N 361.398 1.986 0 50 FDAA Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)c2cccc(OC(F)F)c2)cn1 277826343 ZBUXLSJZXJZNMI-HWRSSNJWSA-N 369.393 1.967 0 50 FDAA NC(=O)CN(CC(F)(F)F)S(=O)(=O)Cc1noc2ccccc12 170603591 HHCJMVHFYBRRNL-UHFFFAOYSA-N 351.306 1.007 0 50 FDAA CS(=O)(=O)Nc1ccc(F)cc1C(=O)N1CCC[C@H](c2ccn[nH]2)C1 170673511 RWQGSYQCYXCDQR-NSHDSACASA-N 366.418 1.940 0 50 FDAA CC(C)c1nnc([C@H]2CN([C@H]3CCCN(c4ccn(C)n4)C3=O)CCO2)o1 280089017 OIGWCASXGYQFON-UONOGXRCSA-N 374.445 1.495 0 50 FDAA CCn1ccnc1[C@H]1CCCCN1C(=O)c1cc(S(N)(=O)=O)oc1C 280921458 FCHGAYGPRVUSFH-CYBMUJFWSA-N 366.443 1.819 0 50 FDAA Cn1cc([C@H]2CS(=O)(=O)CCN2C(=O)NC2Cc3ccccc3C2)cn1 190353459 IWXZLTWXBONPOJ-QGZVFWFLSA-N 374.466 1.069 0 50 FDAA Cc1nn(CCO)cc1CN1C[C@@H]2CC[C@H]1CN(Cc1[nH]cnc1C)C2 1073265484 QFAUGDHDAXKSDR-AEFFLSMTSA-N 358.490 1.312 0 50 FDAA Cc1cccc(Cn2ncc(C)c2NC(=O)C[C@@H]2C(=O)N(C)C(=O)N2C)c1 1506397917 GLMXMGPIIRRYGG-OAHLLOKOSA-N 369.425 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CC(C)[C@@H](O)c1nnc2ccc(C(=O)NCc3cccc4ncnn34)cn12 2356155005 TWCNRSPEAYHTIW-MRXNPFEDSA-N 365.397 1.391 0 50 FDAA COC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OC)[C@H]1c1ccccc1 4517156 AGCMSMGLFNVGLR-ONGXEEELSA-N 374.418 1.476 0 50 FDAA CCOCCCNCc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 4657566 OFRDXYVAMSVEGE-UHFFFAOYSA-N 366.458 1.449 0 50 FDAA CC(=O)N1CC(C(=O)N2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)C1 225405582 WLLMNNLVZOOAGG-WFASDCNBSA-N 356.344 1.818 0 50 FDAA CC1CCN(CCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)CC1 10540753 FUYHISCJVJPCDK-UHFFFAOYSA-N 367.515 1.934 0 50 FDAA Cc1nc(C)c(CC(=O)N2CCC[C@H](c3nnc4ccccn34)C2)c(=O)[nH]1 56394174 ZSJMZMNZJYUESU-AWEZNQCLSA-N 366.425 1.378 0 50 FDAA O=C1N[C@@H](CC(=O)N2CCCN(c3ccncc3)CC2)c2ccccc21 65406673 KLVMYCDXELLNCW-SFHVURJKSA-N 350.422 1.995 0 50 FDAA CC[C@@H](C(=O)NC1CCN(C)CC1)N(c1ccccc1F)S(C)(=O)=O 67602181 MHGJIGDGTQJBSP-HNNXBMFYSA-N 371.478 1.581 0 50 FDAA CC(C)CCNC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1 67601957 OMARMTOTXACISU-UHFFFAOYSA-N 367.515 1.540 0 50 FDAA CCO[C@H]1C[C@](N)(C(=O)Nc2c[nH]cc(Br)c2=O)C1(C)C 423758869 GXKUGNDLGPCYQL-HZMBPMFUSA-N 358.236 1.608 0 50 FDAA C[C@@H]1CN(S(=O)(=O)NC[C@H](c2cccc(F)c2)N(C)C)C[C@@H](C)O1 229721545 KJAYBKFTXZYRGL-XJKCOSOUSA-N 359.467 1.372 0 50 FDAA CS(=O)(=O)N[C@@H]1CCCN(Cc2ccn(-c3ccc(F)cc3F)n2)C1 252502241 UOARWZWRRZRIHE-CQSZACIVSA-N 370.425 1.664 0 50 FDAA Cc1cccc(CN2CCN(C(=O)c3ccc(-n4cnnc4)nc3)CC2)c1 63856776 BXGORXUEJHQXBI-UHFFFAOYSA-N 362.437 1.929 0 50 FDAA CCN(CC)Cc1cnc2c(C(=O)NCC[C@H]3CCCN3C)cnn2c1 67515235 PVYXTYTZQVPAOP-MRXNPFEDSA-N 358.490 1.785 0 50 FDAA COCCCn1cnnc1[C@@H](C)NC(=O)c1cc2c(n(C)c1=O)CCCC2 216010963 OVKILJUKBADBEY-CYBMUJFWSA-N 373.457 1.383 0 50 FDAA CC(=O)N[C@H]1CCCN(Cc2cccc(OCCN3CCOCC3)c2)C1 215657018 WMUMQLAMUVDSPX-IBGZPJMESA-N 361.486 1.498 0 50 FDAA CN1C[C@@]2(CCCN(C(=O)c3ccc(-c4nnn(C)n4)cc3)CC2)OC1=O 72153126 JAJZHOZROJGZMS-SFHVURJKSA-N 370.413 1.324 0 50 FDAA CSc1ccc(CC(=O)N2CCCn3nc([C@@H](O)CO)cc3C2)cc1 219964835 BZMIFFGTNBVGJY-KRWDZBQOSA-N 361.467 1.606 0 50 FDAA Cc1ccn(C[C@](C)(O)C(=O)NCC2(c3ccccc3F)CC2)c(=O)c1 253432366 ZQSKFGZTSRBNLE-IBGZPJMESA-N 358.413 1.895 0 50 FDAA C[C@H](O)[C@@H]1CN(Cc2cc3c(cc2Br)OCCO3)CCO1 332535369 UWXFRGAAFJYHDA-BONVTDFDSA-N 358.232 1.802 0 50 FDAA O=C(CN1CCC2(CC1)C[C@@H]2C(=O)N1CCCCC1)NC[C@H]1CCCO1 332804446 NBEBWFWGOFQCQN-IAGOWNOFSA-N 363.502 1.396 0 50 FDAA Cc1noc([C@H]2C[C@H](O)CN2C(=O)c2ccc(O[C@@H]3CCOC3)cc2)n1 333332744 RFBQUCJPIZQSEY-NUEKZKHPSA-N 359.382 1.494 0 50 FDAA C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCC[C@](O)(C(N)=O)C1 285715155 CDIRSFZDQUCDIL-RFAUZJTJSA-N 360.241 1.633 0 50 FDAA O=C(c1nn(-c2ccccc2)c(=O)cc1O)N1CCC[C@@H](c2ncc[nH]2)C1 77427943 WEYMUSAZZTZRDU-CYBMUJFWSA-N 365.393 1.681 0 50 FDAA CCc1nc(CN2CCC[C@@H](NC(=O)c3cnccc3N(C)C)C2)no1 371894284 PDXWEOWRSJQRLG-CYBMUJFWSA-N 358.446 1.487 0 50 FDAA Cc1cc(O)cc(=O)n1CC(=O)N1CC[C@]2(CCc3ccccc3O2)C1 377972367 MLCCUFZCXBCCGU-HXUWFJFHSA-N 354.406 1.859 0 50 FDAA COc1nc2c(cc1CNC(=O)[C@H]1CCN(C)C1)C(=O)N(C1CCCC1)C2 71759504 BECOHZSKBWYKGL-ZDUSSCGKSA-N 372.469 1.557 0 50 FDAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1F)NC1CCCC1 15064259 GYIYFPIKSYLRDP-OAHLLOKOSA-N 351.397 1.714 0 50 FDAA Cc1cc(C)n2nc(C(=O)N3CCNC(=O)[C@H]3c3ccccc3F)nc2n1 374627714 XIWFVKHBCWYQTK-CQSZACIVSA-N 368.372 1.194 0 50 FDAA Cc1ncc2c(c1CNC(=O)c1nc(N)nc3c1CCCC3)CCNC2 72138793 OPJDXXTWJCPRPD-UHFFFAOYSA-N 352.442 1.217 0 50 FDAA CN1C[C@@]2(CCCN(C(=O)Cn3cc(C(N)=O)c4ccccc43)C2)OC1=O 72132950 PXJARGHQZDXPRB-LJQANCHMSA-N 370.409 1.183 0 50 FDAA C[C@H](CN(C)c1nc(-c2ccncc2)nc2c1cnn2C)N1CCOCC1 72412273 ZIWAKSQWIZEYTM-CQSZACIVSA-N 367.457 1.582 0 50 FDAA C[C@H]1CCCN(C(=O)CCn2ncc(N3CCCN(C)CC3)cc2=O)C1 72123936 KSSYRDCHYLJDNZ-INIZCTEOSA-N 361.490 1.034 0 50 FDAA CC(=O)c1c(C)nn(CCC(=O)N2CCC[C@@](O)(CN(C)C)C2)c1C 72167687 RWHLZWDVBQNYRB-GOSISDBHSA-N 350.463 1.008 0 50 FDAA Cc1ncc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c(=O)[nH]1 220694993 QLTROXXZBXYSOG-UHFFFAOYSA-N 354.410 1.634 0 50 FDAA CN(C(=O)CC1CCN(Cc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 220694681 BNFWZBTWJMFWAK-GOSISDBHSA-N 364.511 1.934 0 50 FDAA O=C1C[C@]2(CCN(C(=O)c3ccc4[nH]c(C(F)(F)F)nc4c3)C2)C(=O)N1 82087645 UFPRUMKNMSIYMQ-HNNXBMFYSA-N 366.299 1.461 0 50 FDAA Cc1cc(C)cc(CN2CCN(C(=O)c3cc(=O)cc(C)n3C)CC2=O)c1 426541187 AZQCJJAUFHZWOZ-UHFFFAOYSA-N 367.449 1.795 0 50 FDAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cc(-c3ccncc3)n[nH]1)C2 91998046 KZIGYZUEFKNKOP-LSDHHAIUSA-N 369.425 1.181 0 50 FDAA CCC(=O)N1CCC[C@H](C(=O)NCCc2nc(C)c(C(=O)O)s2)C1 95527713 GPZALDXJSIYUPD-NSHDSACASA-N 353.444 1.457 0 50 FDAA Cc1ccnn1CCc1nc(CC(N)=O)nn1-c1ccc2c(c1)CCC2 97681830 HPJOQLMXYHJZQZ-UHFFFAOYSA-N 350.426 1.531 0 50 FDAA CC[C@@H](NC(=O)CN1CCC(C(N)=O)CC1)c1nc2cc(C)ccc2[nH]1 92065980 ROKBGPVTUZQGHA-CQSZACIVSA-N 357.458 1.636 0 50 FDAA C[C@@H]1CN(C(=O)NCCc2nc3c(s2)CCCC3)C[C@@H](C)S1(=O)=O 292617556 UNLXZHRNJUJPLA-VXGBXAGGSA-N 371.528 1.781 0 50 FDAA Cc1ncsc1CN1CC[C@H](N2CCOCC2)[C@H](CCC(=O)O)C1 91381986 QGCHPNWLWHRSOS-CABCVRRESA-N 353.488 1.839 0 50 FDAA CCn1c(Cn2cccn2)nnc1C1CCN(CCN2CCCC2=O)CC1 91896788 ATSSFXNKPWBTLD-UHFFFAOYSA-N 371.489 1.345 0 50 FDAA Cn1cc(C(=O)N2CCC3(CC2)OCCC[C@H]3O)c(=O)c2ccccc21 97172857 IFGKZRCLBBDLRQ-QGZVFWFLSA-N 356.422 1.685 0 50 FDAA COc1ccc([C@@H]2CN(C(=O)c3ccncc3F)C[C@H]2NC(C)=O)cc1 95501786 FECJDVPDXDLIDR-FUHWJXTLSA-N 357.385 1.974 0 50 FDAA Cc1ccc2cccc(OCCNC(=O)C[C@@H]3C(=O)N(C)C(=O)N3C)c2n1 97259370 UTMNZZVSDNBUCN-CQSZACIVSA-N 370.409 1.321 0 50 FDAA CN1Cc2ccccc2N(CC(=O)N2CC[C@@]3(CCCNC3=O)C2)C1=O 91390869 IXEARFQITXMWLA-IBGZPJMESA-N 356.426 1.187 0 50 FDAA NC(=O)N1CCC[C@H](C(=O)N2CCN(c3nsc4ccccc34)CC2)C1 91427213 NCSFQAADNYZXSG-ZDUSSCGKSA-N 373.482 1.736 0 50 FDAA CN(CCCOc1ccccc1Cl)C(=O)CN1C(=O)CCNC1=O 95519948 UKHPXZJWXLTINB-UHFFFAOYSA-N 353.806 1.509 0 50 FDAA COCC(=O)N1CCCN(c2cc([C@H]3C[C@@H](N)C3)nc(C3CC3)n2)CC1 244858449 VLEKLPRNPRBUBG-GASCZTMLSA-N 359.474 1.244 0 50 FDAA O=C(Cn1nc2c(cc1=O)CCCCC2)N[C@H](CO)Cc1ccccc1 252481805 CSLIXMAUQZQTPQ-KRWDZBQOSA-N 355.438 1.232 0 50 FDAA C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc3c(c2)CCC(=O)N3)C1=O 298370901 VESINEOKWISDHY-SFHVURJKSA-N 356.382 1.230 0 50 FDAA CS(=O)(=O)N1CCC(C(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2)CC1 299744307 ODQGRPOVUZGFID-AWEZNQCLSA-N 372.418 1.129 0 50 FDAA CN1CCN(c2ccc(-c3cccc(C(=O)N[C@H]4CCOC4)c3)nn2)CC1 534636983 IFEAPODBMURLDA-KRWDZBQOSA-N 367.453 1.414 0 50 FDAA CCOC(=O)c1csc(NC(=O)Cn2cc(OC)c(=O)cc2C)n1 263588731 XUVZQMWVBBVUMS-UHFFFAOYSA-N 351.384 1.437 0 50 FDAA Cc1cccc(Cl)c1OCCNC(=O)N1CCN2C(=O)OC[C@@H]2C1 534578295 HJNPKHQZDKNOTC-LBPRGKRZSA-N 353.806 1.873 0 50 FDAA Cc1cc(C(N)=O)ccc1NC(=O)N1CCC(C(=O)N2CCCC2)CC1 299760442 HTESPZRTJVDPIX-UHFFFAOYSA-N 358.442 1.960 0 50 FDAA CC(C)[C@@H](NC(=O)c1nn(CCCCC(=O)O)c2ccccc12)C(N)=O 96024610 QNEBIXFSJOHXCK-OAHLLOKOSA-N 360.414 1.531 0 50 FDAA biogenic,in-vitro CCc1cc(N2CCN(C(=O)c3c(C)nc4ncccn34)CC2)ncn1 299762500 MGVTYZAWJQYSJM-UHFFFAOYSA-N 351.414 1.353 0 50 FDAA c1cnn(Cc2ccc(CN3CC[C@@H]4OCc5cnnn5[C@H]4C3)cc2)c1 299769344 WTLCBSWRMIZXOB-OALUTQOASA-N 350.426 1.869 0 50 FDAA Cc1ccc2oc(=O)n(CCC(=O)NCC3CCS(=O)(=O)CC3)c2c1 299784646 JAHUGLYNHRHSEV-UHFFFAOYSA-N 366.439 1.234 0 50 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CCC[C@@H]1NC(=O)[C@H]2CN(C(=O)c3cccc4ccccc34)CCN2C1=O 14741082 ABWMLVVLHKMENK-ZWKOTPCHSA-N 365.433 1.791 0 50 FDAA CC(C)N1CCN(C[C@]2(O)CCCN(CC3CCCCC3)C2=O)CC1 19218498 LQDIHGYRUBVUME-HXUWFJFHSA-N 351.535 1.946 0 50 FDAA O=C(O)CNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2297473 LBARPNVLPKLFBS-RIYZIHGNSA-N 368.345 1.387 0 50 FDAA O=C(NCc1ccco1)c1cc(S(=O)(=O)N2CCOCC2)cs1 4868969 COBVTUCGRPNIPE-UHFFFAOYSA-N 356.425 1.292 0 50 FDAA Cc1occc1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 4777403 SLUGKGPEOLYQEA-UHFFFAOYSA-N 350.396 1.861 0 50 FDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCN(c4cccnc4)CC3)nn(C)c21 1857529391 ICLBYCMUGNFSMW-KGLIPLIRSA-N 355.442 1.800 0 50 FDAA CCOCc1nnc(N2C[C@H](C(=O)N3CCC(C)CC3)CC2=O)s1 1857698786 IDUSXQNPZFVGLO-GFCCVEGCSA-N 352.460 1.686 0 50 FDAA Cc1nn(C)cc1C(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 113030120 XMIUJZXMZKXROV-UHFFFAOYSA-N 360.845 1.909 0 50 FDAA CCc1nc(-c2ncccn2)sc1C(=O)N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1875242853 FHJDMPKTFPJWSN-XBFCOCLRSA-N 374.466 1.774 0 50 FDAA CN(CCCn1ccnc1)Cc1nnc2n(C)c(=O)c3sccc3n12 124347056 QGISHVVMGRNSSQ-UHFFFAOYSA-N 357.443 1.361 0 50 FDAA CN1CC[C@H](N2CCC(NC(=O)c3ccc(Cl)cc3F)CC2)C1=O 332258637 BUMRTUXQCUEBCN-HNNXBMFYSA-N 353.825 1.904 0 50 FDAA COc1ccccc1C[C@H](C)N(C)C(=O)c1cn(C2CCNCC2)nn1 237253428 UAUKJURCDQQDQW-AWEZNQCLSA-N 357.458 1.914 0 50 FDAA Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N3CC[C@H](N)C3)CCCC2)c1 132336005 GKWYCMGPHTVHOI-HNNXBMFYSA-N 350.484 1.950 0 50 FDAA COc1ccc(S(=O)(=O)N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)cc1C 1704299098 NXOBFEIPUPMMNH-QZTJIDSGSA-N 368.499 1.471 0 50 FDAA CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cc2cc(F)ccc2F)cn1 818601041 YQHJHTQZNSZLJY-JKSUJKDBSA-N 351.353 1.686 0 50 FDAA O=C1CO[C@]2(CCN(C(=O)C3(O)CCCCC3)C2)CN1Cc1ccccc1 922286604 AUSRXPYKSARYNN-FQEVSTJZSA-N 372.465 1.712 0 50 FDAA Cc1ccn2ncc(NC(=O)CN3CCN(c4ccncc4)CC3)c2n1 2325817392 OLIGQIPKBGQXEU-UHFFFAOYSA-N 351.414 1.193 0 50 FDAA CCOC(=O)C1=NNC(C(=O)OCC)(C(=O)OCC)[C@H]1c1ccccc1 1168483 WNGJQMBDCFZNSW-ZDUSSCGKSA-N 362.382 1.158 0 50 FDAA 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CC(C)CC(=O)N1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1 20537908 JHGSBMLMJSHFOV-RTWAWAEBSA-N 371.525 1.914 0 50 FDAA NC(=O)Nc1cc(NC(=O)c2ccc(S(N)(=O)=O)s2)ccc1F 478415016 LUOCJGUOHMNGMF-UHFFFAOYSA-N 358.376 1.278 0 50 FDAA CC(C)CN1CC[C@H](CNC(=O)c2ccc(N3CCNC(=O)CC3)nc2)C1 67490463 ZRCAFRZABJTGAB-MRXNPFEDSA-N 373.501 1.116 0 50 FDAA Cc1nc(C(F)(F)F)c(CS(=O)(=O)C2=NOC(C)(C)C2)c(=O)n1C 147632096 SDYQEAUSSCIBLG-UHFFFAOYSA-N 367.349 1.535 0 50 FDAA COCCN1CC[C@@H](NC(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 363128433 QJHWLXIKRRXAEH-ZBFHGGJFSA-N 365.861 1.530 0 50 FDAA Cn1cc([C@@H]2CCCN(C(=O)[C@@H](Cc3ccccc3)NC(N)=O)C2)cn1 363731314 BHCSDOFKWYAVCQ-NVXWUHKLSA-N 355.442 1.406 0 50 FDAA CC1(Cn2cc(C(=O)N3CCC[C@H]3Cn3cc(C4CC4)nn3)nn2)COC1 329046863 VHDKMXQYTCJEHT-AWEZNQCLSA-N 371.445 1.088 0 50 FDAA O=C(O)[C@H]1CC2(CCN(C(=O)C3CC3)CC2)CN1C(=O)Cc1ccccc1 72407336 TTYCEARUZPSWMI-QGZVFWFLSA-N 370.449 1.933 0 50 FDAA Nc1cc(O)nc(CCNC(=O)COc2ccc(Cl)c(Cl)c2)n1 219157042 YLEIOXCHRJAPDR-UHFFFAOYSA-N 357.197 1.809 0 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1.841 0 50 FDAA COc1ccc(CC(=O)O)cc1S(=O)(=O)N1CCC2(CCO2)CC1 374406063 ZPGSUBQPMFLUDV-UHFFFAOYSA-N 355.412 1.266 0 50 FDAA O=C(NC[C@H]1CCCN1c1cccnn1)c1ccnc(NC(=O)C2CC2)c1 375746203 XNGZJYQCAMUMHE-OAHLLOKOSA-N 366.425 1.619 0 50 FDAA Cc1onc(-c2cccnc2)c1C(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 376010368 SWLJNYHYLSWCOT-CQSZACIVSA-N 352.398 1.897 0 50 FDAA CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCc2ccc(Cl)s2)C1 376249700 YLSVCBMMBAEWTH-NSHDSACASA-N 365.908 1.967 0 50 FDAA COc1cccc(N2CCC[C@H](NC(=O)c3cc4n(n3)CCO4)C2=O)c1 377973520 XPLGSXKLUIJLHQ-AWEZNQCLSA-N 356.382 1.210 0 50 FDAA CCn1c(S)nc2cc(C(=O)N[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]3CO)ccc2c1=O 129734568 NCDWRTZTPUDYFI-KFYUAXIPSA-N 373.478 1.842 0 50 FDAA CN1CCN(C(=O)CCCS(=O)(=O)N2CCCC2)c2ccc(F)cc21 174457543 DEACTNZMGDSRMC-UHFFFAOYSA-N 369.462 1.814 0 50 FDAA CN(Cc1nccn1Cc1ccccc1)C(=O)CN1C(=O)NC(C)(C)C1=O 81100208 MMQUELDWPGNPKV-UHFFFAOYSA-N 369.425 1.220 0 50 FDAA COc1ccc(C[C@@H](C)CNC(=O)c2ccnc3c(C(N)=O)cnn23)cc1 132703474 FGJOPTHPIABKGD-GFCCVEGCSA-N 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FDAA CNC(=O)c1cccc(S(=O)(=O)NC[C@H]2COc3ccccc3C2)c1 91908105 JPVOYJKMXJXCJS-ZDUSSCGKSA-N 360.435 1.576 0 50 FDAA CN1CCN(CC2(CNC(=O)c3cc(=O)[nH]c4ccccc34)CC2)CC1 92081543 GWJDGHQQPMSDIQ-UHFFFAOYSA-N 354.454 1.286 0 50 FDAA COc1cccc(-c2cc(C(=O)NCCN3CCCC[C@H]3CO)n[nH]2)c1 91906790 LPDRODDGBAACRW-HNNXBMFYSA-N 358.442 1.662 0 50 FDAA OC[C@H]1CN(Cc2cnn(-c3cccc(F)c3)c2)C[C@H]1CN1CCOCC1 91807842 KLEGIOAURRAECX-QZTJIDSGSA-N 374.460 1.384 0 50 FDAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cc(C)on2)CN1CCc1ccccc1 91636606 SUMFXONYQFOTLQ-AEFFLSMTSA-N 370.453 1.535 0 50 FDAA COC[C@@H](NS(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccco1 293590203 ULYOOZWLPRQGTC-MRVPVSSYSA-N 353.322 1.698 0 50 FDAA O=C(O)[C@@H]1CC[C@H](C(=O)N2CCc3nnc(-c4ccccc4)n3CC2)C1 97744905 DXQJZMYKKNAAQG-LSDHHAIUSA-N 354.410 1.831 0 50 FDAA O=C(C1CCC1)N1CCC(C(=O)N(CCCO)Cc2ccncc2)CC1 95355674 LRPYKSATTYHQTQ-UHFFFAOYSA-N 359.470 1.831 0 50 FDAA COc1cc(C(=O)N2CCc3nnc(Cc4cccnc4)n3CC2)ccn1 91624798 BTIDNNCSHZCSCP-UHFFFAOYSA-N 364.409 1.366 0 50 FDAA CC(C)Cc1cc(C(=O)N[C@H]2CN(C(=O)N(C)C)C[C@@H]2C2CC2)nc(N)n1 95358882 DCGIASUHVMFIMX-ZBFHGGJFSA-N 374.489 1.379 0 50 FDAA CCn1nccc1S(=O)(=O)N1CCC2(CCC(=O)N(C(C)C)C2)CC1 91645183 IKMIAUZJFJUQNL-UHFFFAOYSA-N 368.503 1.705 0 50 FDAA O=C(NCCCOc1ccccc1)[C@H]1CNC[C@@H](C(=O)N2CCCC2)C1 91746971 ZREMCHFUWMHIOW-SJORKVTESA-N 359.470 1.420 0 50 FDAA CN1CCC[C@]2(CCN(S(=O)(=O)N(C)Cc3ccccc3)C2)C1=O 91625885 VJRZUWNNPXKLHV-QGZVFWFLSA-N 351.472 1.308 0 50 FDAA CC(C)n1ccc2c(OCC(=O)N[C@H]3CCS(=O)(=O)C3)cccc21 252509303 YKEKSOXKYJDBTM-ZDUSSCGKSA-N 350.440 1.904 0 50 FDAA CSCC[C@@H](NC(=O)[C@H]1CC(=O)OC1(C)C)c1nnc2ccccn12 252536496 ISBSNXCMSPGCII-VXGBXAGGSA-N 362.455 1.981 0 50 FDAA Nc1nc(N2CCC(OCc3ccccn3)CC2)cc([C@H]2C[C@@H](N)C2)n1 252536476 IRHJJXTWJOUUBI-OKILXGFUSA-N 354.458 1.844 0 50 FDAA COc1cc(NC(=O)COc2c(C)n(C)ccc2=O)cc(OC)c1OC 263587356 GADPTQWGBLDBEX-UHFFFAOYSA-N 362.382 1.737 0 50 FDAA Cc1cc(C)c2c(=NC(=O)[C@H]3CC(=O)N(Cc4ccccn4)C3)[nH][nH]c2n1 1940194953 FCZHIKGDZIGFAI-ZDUSSCGKSA-N 364.409 1.379 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C[C@H](C(=O)N1CCC[C@@H]1CC(=O)c1cnn(C)c1)n1nnnc1C(C)(C)C 272248830 ONONFBDXIPAECS-TZMCWYRMSA-N 373.461 1.529 0 50 FDAA Cn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)NCc2cccc(F)c2)cn1 189999329 UQCKAASDYPQKSF-HNNXBMFYSA-N 366.418 1.241 0 50 FDAA Cc1cn2nc(N[C@@H]3CCN(C(=O)[C@@H](O)c4ccccc4)C3)ccc2n1 780100514 XNOWKDWJVYZLES-QAPCUYQASA-N 351.410 1.784 0 50 FDAA O=C(c1ccncc1)N1CCC(N2CCN(c3cnccn3)CC2)CC1 1506398992 JLWAOVAVWSNTRO-UHFFFAOYSA-N 352.442 1.298 0 50 FDAA COCCn1cncc1CN1CCCN(C(=O)c2ncccc2C)CC1 1529110854 SHNFPZCNCYNCQL-UHFFFAOYSA-N 357.458 1.581 0 50 FDAA O=C(O)/C=C/C(=O)Nc1cccc2c(NC(=O)/C=C/C(=O)O)cccc12 754093 HPIVDRLTGFUGCE-FIFLTTCUSA-N 354.318 1.998 0 50 FDAA O=C(Cn1cccn1)N1CCCN(c2nc(-c3ccccc3)no2)CC1 1775978278 LYICSNGHUONVKE-UHFFFAOYSA-N 352.398 1.672 0 50 FDAA O=C(c1ccsc1)N1C[C@@H]2CN(C(=O)C3CCOCC3)C[C@@]2(CO)C1 1772712446 MOLQJYOFQDBEFV-YJBOKZPZSA-N 364.467 1.068 0 50 FDAA COc1ccccc1-c1ncc(CN2CC[C@]3(CNC(=O)CO3)C2)cn1 1772819034 NTUGYZNCUHPLDA-IBGZPJMESA-N 354.410 1.243 0 50 FDAA 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FDAA CCOc1cccc(NC(=O)Cn2ncc(N3CCN(C)CC3)cc2=O)c1 23369447 ZMNNIRUHCORNTI-UHFFFAOYSA-N 371.441 1.033 0 50 FDAA COc1cccc2c1OCC(CN1CCN(c3cnn(C)c(=O)c3)CC1)=C2 20450638 JZFBQDWCKRQGMK-UHFFFAOYSA-N 368.437 1.387 0 50 FDAA O=C1N(Cc2cccc(F)c2F)CCC[C@]1(O)CN1CCC(CO)CC1 12463551 JFEGNPRTPPZZPV-IBGZPJMESA-N 368.424 1.523 0 50 FDAA O=C(NCCc1ccc2[nH]ccc2c1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 281875183 FQKPKEMJWVNJJY-SFHVURJKSA-N 370.453 1.743 0 50 FDAA CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)CCc1nc[nH]n1 328625902 DQVMTUGMIIJEEY-RYUDHWBXSA-N 352.439 1.265 0 50 FDAA CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)CN1CCCC1=O 328627599 GHRJMBQYYUFDJZ-STQMWFEESA-N 354.451 1.136 0 50 FDAA Cc1nc(CN2CCC(CNC(=O)N[C@H]3CCN(C)C3=O)CC2)oc1C 172379435 HYZCVHXJAKFIQM-HNNXBMFYSA-N 363.462 1.033 0 50 FDAA COCCCN1C(=O)CC[C@H]2CN(C(=O)CCc3cc(O)no3)CC[C@H]21 72475316 LDGPWXZJPSJLSA-DZGCQCFKSA-N 365.430 1.189 0 50 FDAA NC(=O)C[C@H]1COCCN1Cc1cc2ccccc2nc1N1CCOCC1 72477811 SLUPATCUDJDZOZ-KRWDZBQOSA-N 370.453 1.148 0 50 FDAA 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Nc1nccc(C2CCN(C(=O)Nc3ccc4c(c3)OCC(=O)N4)CC2)n1 426386884 KMMGFNYOEQFSDS-UHFFFAOYSA-N 368.397 1.801 0 50 FDAA CCCS(=O)(=O)N[C@H]1CN(c2cc(COC)ncn2)C[C@@H]1C(C)C 91303981 PMVQYNCTIAAIEN-CABCVRRESA-N 356.492 1.413 0 50 FDAA CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)cc2)C1 91794012 IOUIHTQRFRQZQV-CQSZACIVSA-N 362.455 1.570 0 50 FDAA Nc1nnc(CCNC(=O)[C@H]2CCC(=O)N(CC3CCCCC3)C2)s1 91769213 CYXRFCYBLGTGAS-ZDUSSCGKSA-N 365.503 1.598 0 50 FDAA COCCN1CCC[C@]2(CCN(Cc3nc(C(F)(F)F)no3)C2)C1=O 91706642 YPBNMMCCTNGHGU-CQSZACIVSA-N 362.352 1.549 0 50 FDAA CCOC(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(Cc3ccncc3)C2)CC1 97553185 CBCYPJBJQDBHOS-OAHLLOKOSA-N 374.441 1.167 0 50 FDAA Cc1cc2n(n1)CCCN(C(=O)c1cnc(-c3ccccn3)nc1O)C2 91475379 PIGCKMWKGZDGDO-UHFFFAOYSA-N 350.382 1.795 0 50 FDAA c1cnn(Cc2nnc(C3CCN(Cc4ncc[nH]4)CC3)n2C2CC2)c1 91769714 QLMXJTCKXNNFRW-UHFFFAOYSA-N 352.446 1.961 0 50 FDAA Cc1ccc2nc(C(=O)N3CCC4(CC3)[C@H](C(=O)O)CC(=O)N4C)cn2c1 95386336 JTVWVHIDPRKTNN-ZDUSSCGKSA-N 370.409 1.180 0 50 FDAA COCCN(C)CC(=O)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2 92077265 KNMHOKRFFIBNOX-FXAWDEMLSA-N 371.525 1.655 0 50 FDAA Cc1nc(CC2CCN(C(=O)Cn3ncc4ccccc4c3=O)CC2)no1 91818727 BOBRWBGKRBQEAH-UHFFFAOYSA-N 367.409 1.569 0 50 FDAA Cc1nc2ccc(C(=O)N3Cc4nc[nH]c4C[C@@H]3C(=O)O)cc2nc1C 96138860 VWBDHCRUHWMMHO-MRXNPFEDSA-N 351.366 1.621 0 50 FDAA CN1CC[C@@]2(CCC1=O)CN(C(=O)Nc1ccc(N(C)C)cc1)CCN2C 91505463 YNNUIRQPXAPMBW-FQEVSTJZSA-N 373.501 1.913 0 50 FDAA Cc1nc(CC(=O)N[C@H]2C[C@H](c3cc(N4CC[C@H](O)C4)ncn3)C2)cs1 244899756 ZPOAKYJFKPOPBU-YDHLFZDLSA-N 373.482 1.417 0 50 FDAA O=C(Cn1cnc2ccsc2c1=O)NCc1cc(-c2ccccn2)no1 244758135 OTAIZPHMWWUVTC-UHFFFAOYSA-N 367.390 1.824 0 50 FDAA N[C@H]1CC[C@@H](n2cc(C(=O)N3CCC[C@H]3c3nc(C4CC4)no3)nn2)CC1 252676022 VTDSJUKVMDKEQF-GUTXKFCHSA-N 371.445 1.958 0 50 FDAA O=C(N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1)c1cnc(C2CC2)nc1O 253535205 HAZYOBRIGFSUOB-LZWOXQAQSA-N 354.410 1.567 0 50 FDAA O=C(NC[C@H]1CCCN(CCO)C1)N1CCC(c2cccc(O)c2)CC1 534648179 GDWWIFFEOKUFJJ-MRXNPFEDSA-N 361.486 1.986 0 50 FDAA COC(=O)[C@@H]1CC12CCN(C(=O)c1cnn(-c3ccccn3)c1C)CC2 609612883 HUYXDXQQQAMAFU-HNNXBMFYSA-N 354.410 1.991 0 50 FDAA O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1CCCCn2nnnc21 299787611 PQKMYSCJKJORQP-HNNXBMFYSA-N 354.414 1.384 0 50 FDAA Cn1nc(C(=O)N(Cc2cccnc2)C[C@@H]2CCC(=O)N2)c2c1CCCC2 299792504 FUOBOWHYIXYVGM-HNNXBMFYSA-N 367.453 1.615 0 50 FDAA Cc1nccc(NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)n1 299801968 ZMMJYFZGAIZXNH-GOSISDBHSA-N 373.501 1.546 0 50 FDAA CC(C)c1nc(CCNC(=O)CCN(C)[C@H]2CCS(=O)(=O)C2)cs1 299793902 HQQOQPKYJRFFAT-AWEZNQCLSA-N 373.544 1.434 0 50 FDAA O=C(c1ccco1)N1CCC[C@H](NS(=O)(=O)N2CCCCCC2)C1 828188908 LUDKZYSQVLJXOK-AWEZNQCLSA-N 355.460 1.595 0 50 FDAA CN1CCN(c2ccc(C(=O)NCc3ccc4nc(O)[nH]c4c3)cc2)CC1 823792760 PPFKKEQZCDHJJU-UHFFFAOYSA-N 365.437 1.950 0 50 FDAA CC(C)c1nc(CN(C)C(=O)NCCS(=O)(=O)N2CCCC2)cs1 584887628 SAEIWZLJIGCCQV-UHFFFAOYSA-N 374.532 1.834 0 50 FDAA Cc1nn(C)c(C)c1CN(C)C(=O)NC1CCN(C2CCOCC2)CC1 584899994 WFXGLXKIUOMYOD-UHFFFAOYSA-N 363.506 1.822 0 50 FDAA CCCc1cc(CNS(=O)(=O)c2cc(CC(=O)O)ccc2OC)on1 823020286 LBRBTAOIOYEEOR-UHFFFAOYSA-N 368.411 1.741 0 50 FDAA NC(=O)C1(c2nc(-c3ccc(Cl)cc3)nn2C[C@@H]2COCCO2)CC1 584899030 IUYGMBQUMLZKQD-CYBMUJFWSA-N 362.817 1.531 0 50 FDAA CN(Cc1noc(C2CCC2)n1)C(=O)[C@@H](Cc1ccccc1)n1cnnn1 584896790 YZINBIBKILRLIS-OAHLLOKOSA-N 367.413 1.766 0 50 FDAA CCn1cc(CC(=O)N2C[C@@H]3COCC[C@]3(C(N)=O)C2)c2ccccc21 952851147 VUDGWBWDICRBEV-QRWLVFNGSA-N 355.438 1.554 0 50 FDAA CC(C)Oc1cccc(CN(C)c2ncnc3c2ncn3C(CO)CO)c1 1875269277 RQEOKWIFGLQWHT-UHFFFAOYSA-N 371.441 1.776 0 50 FDAA C=CC(=O)N1CCC(C(=O)N2CCC[C@H](c3nncn3C(C)C)C2)CC1 1875370725 AVZFEKUHDVGOGZ-INIZCTEOSA-N 359.474 1.990 0 50 FDAA CC(C)(C)OC(=O)NCc1noc([C@]23CCCN2S(=O)(=O)CC3)n1 1875339658 SMSYLCTVOWLGKR-CQSZACIVSA-N 358.420 1.119 0 50 FDAA COC[C@@H]1C[C@@H](O)CN1C(=O)Nc1cn(CC(F)(F)F)nc1C1CC1 1875318956 NHTMOWFFUMVKSX-WDEREUQCSA-N 362.352 1.936 0 50 FDAA CC1CCN(Cc2ccc(CNC(=O)Cc3cc(O)nc(O)n3)cc2)CC1 1875314035 DTCUFVJRCCXYOW-UHFFFAOYSA-N 370.453 1.979 0 50 FDAA C[C@H]1C[C@@H]1CC(=O)NCc1cccc2c1CCN(Cc1nnnn1C)C2 1875408313 SMKWBMMGVHRUJR-XJKSGUPXSA-N 354.458 1.431 0 50 FDAA C[C@@H]1CCC(=O)N1c1cccc(NC(=O)[C@H]2CCCN(CC(N)=O)C2)c1 952978216 PVRCJWCAVYLMLF-KGLIPLIRSA-N 358.442 1.338 0 50 FDAA Cc1nc(CN2CC[C@H](NC(=O)CN3CCCCCC3)[C@@H](O)C2)cs1 1565514564 LBYMINQSQFWMJY-IRXDYDNUSA-N 366.531 1.379 0 50 FDAA Nc1nccc(N2CC[C@H]3[C@H](CCC(=O)N3CCc3ccccn3)C2)n1 1565525470 XSUNBBGYNXTGCB-ZBFHGGJFSA-N 352.442 1.514 0 50 FDAA CCOC(=O)[C@@]12CNC[C@@]1(C(F)(F)F)CN(C(=O)OC(C)(C)C)C2 95740431 YFDUJMAXOJZICU-UONOGXRCSA-N 352.353 1.939 0 50 FDAA in-vitro CCn1cc([C@@H]2CN(C(=O)c3cnc4c(cnn4C)c3OC)CCO2)cn1 191753874 UYNHRRVUNSVZKW-HNNXBMFYSA-N 370.413 1.407 0 50 FDAA CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2cncnc2N)C1 192357702 DEWRSPHWMURFBH-JTQLQIEISA-N 359.352 1.322 0 50 FDAA CC(C)n1ncc(C(=O)N2CCC(c3nnc4n3CCCC4)CC2)c1N 776269072 IKAHJEQXZBAPAM-UHFFFAOYSA-N 357.462 1.994 0 50 FDAA Cc1cc(=O)c(C(=O)Nc2ccccc2N2C(=O)N[C@@H](C)C2=O)cn1C 1506421703 LQTDXDFWYFOAOG-NSHDSACASA-N 354.366 1.391 0 50 FDAA O=C(CCC(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1)NC1CCCC1 1529161453 KBUMKIWTIVXDHV-YLJYHZDGSA-N 360.454 1.786 0 50 FDAA CCCC[C@@H](C(=O)O)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 1529198858 LLNXLALGIDYACO-HNNXBMFYSA-N 361.508 1.368 0 50 FDAA Cc1cc(C)nc(CCNC(=O)c2cn(Cc3ccc(F)cc3)nn2)n1 12443761 LPEAVWZZXHNCCP-UHFFFAOYSA-N 354.389 1.845 0 50 FDAA COc1cnc(N2CC[C@@H](O)[C@]3(CCCN(C(=O)C4CC=CC4)C3)C2)nc1 1857694885 LFHCGWRXSRDEAP-XLIONFOSSA-N 372.469 1.631 0 50 FDAA CN1CCN([C@H]2CCN(Cc3cccc(Cn4cccn4)c3)C[C@@H]2O)CC1 214308102 WAFSTNBSPCJQBA-SFTDATJTSA-N 369.513 1.114 0 50 FDAA O=C(O)CCN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 238163028 MAEVXGKNRFUXHP-UHFFFAOYSA-N 367.254 1.774 0 50 FDAA O=C(c1n[nH]c2c1CCC2)N1C[C@H]2c3ccccc3OC[C@@]2(C(=O)O)C1 247434515 VKIICHKOKOPREZ-DJJJIMSYSA-N 353.378 1.601 0 50 FDAA CCn1cc(CN2C[C@H]3COC[C@@H]2CN(C(=O)c2ccsc2)C3)cn1 1704333239 YDYNMHBYPMJDRE-WBVHZDCISA-N 360.483 1.938 0 50 FDAA C[C@@H]1C[C@@H](C2CCCCC2)CN1S(=O)(=O)c1cnn2c1CNCC2 2325775933 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CC(C)c1cnc(CN2CCO[C@H](CNc3nccn(C)c3=O)C2)s1 328636259 NYZRWHVHANQJKL-CYBMUJFWSA-N 363.487 1.673 0 50 FDAA Cc1cc(NC(=O)c2cccc(CN(C)Cc3nncn3C)c2)n(C)n1 67921585 LWVHZNGXXZQMIF-UHFFFAOYSA-N 353.430 1.741 0 50 FDAA c1nc2c(c(NCCc3cn[nH]c3)n1)CCN(C[C@H]1CCCNC1)CC2 72448594 NYPNIBJXQGTPCO-INIZCTEOSA-N 355.490 1.255 0 50 FDAA Cc1cc(=O)[nH]c(CCNC(=O)c2cn(CCC3CCCCC3)nn2)n1 72124145 RWCKCFSUQZJHDA-UHFFFAOYSA-N 358.446 1.613 0 50 FDAA CN(C)CC(=O)N1CCC(c2nnc(CN3CCCC3)n2C2CC2)CC1 77521191 DBDIRBODHOFZJY-UHFFFAOYSA-N 360.506 1.476 0 50 FDAA Cc1ccccc1OC1(C(=O)O)CCN(C(=O)C2=NNC(=O)CC2)CC1 72410094 ZZMVTDNNWFQBFE-UHFFFAOYSA-N 359.382 1.086 0 50 FDAA Cc1occc1C(=O)N1CCN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 72422564 KFZOKQHKFPDCNF-MSOLQXFVSA-N 374.462 1.712 0 50 FDAA O=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@@H]1c2ccccc2C[C@H]1O 363137280 WJIMRWNILZMTCV-GDBMZVCRSA-N 357.410 1.016 0 50 FDAA CNC(=O)C1(C(=O)N2CCC(Oc3cnc4ccccc4n3)CC2)CC1 366917816 QQXUTIDNSYENFK-UHFFFAOYSA-N 354.410 1.526 0 50 FDAA 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358.442 1.915 0 50 FDAA Cn1cc(CN[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)c(-c2ccncc2)n1 1875400312 WOVIVYJZYNMKPY-ZTFGCOKTSA-N 352.442 1.608 0 50 FDAA Cc1ccc2nc(N3C[C@H]4C[C@H]3CN(C(=O)[C@H]3C[C@@H](O)C3)C4)sc2n1 1875406746 LCZMAPWKBVYDEN-XDQVBPFNSA-N 358.467 1.808 0 50 FDAA NC(=O)CN1CCC[C@H](C(=O)N2CC(Oc3ccccc3Cl)C2)C1 952854093 PFQSLVDCTXTQOH-LBPRGKRZSA-N 351.834 1.127 0 50 FDAA CO[C@@H]1CCCCN(CC(=O)NCCn2c(C)nc3ccccc32)C1=O 886088106 KSJZSBOKYJOJNP-QGZVFWFLSA-N 358.442 1.488 0 50 FDAA Cn1c(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)cnc1O 888098726 LDGISTLEZKVJOE-KZULUSFZSA-N 357.414 1.655 0 50 FDAA CC(C)[C@H]1N(C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cc(O)nc(C3CC3)c1)C2 888094979 OLYGTYKVRGXBRE-QQTQMKHKSA-N 359.470 1.874 0 50 FDAA Cn1nccc1C1(O)CCN(C(=O)c2ccc(-c3cn[nH]c3)cc2)CC1 1348088085 QEMHNMXMOBOXOK-UHFFFAOYSA-N 351.410 1.934 0 50 FDAA O=C(CN1CC[C@H](NC(=O)c2ccccc2)[C@@H](O)C1)NCc1cccs1 1565514330 QXXKDZGICJPRFU-IRXDYDNUSA-N 373.478 1.230 0 50 FDAA COc1cc(C)c(S(=O)(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1OC 221951779 LDOFWIFBSXOXNO-UONOGXRCSA-N 372.487 1.088 0 50 FDAA CC(=O)NC[C@@H]1CCn2ncc(C(=O)NC[C@H](O)c3ccc(C)cc3)c2C1 277155060 HVTOLJWVBWXHID-BEFAXECRSA-N 370.453 1.353 0 50 FDAA Cc1ccnc(-n2nc(C)cc2NC(=O)N2CCO[C@]3(CCOC3)C2)c1 278390595 DXFVQLXNYNTPKJ-GOSISDBHSA-N 357.414 1.907 0 50 FDAA COc1ccc(-n2ccc(C(=O)NCc3nnc4ccc(C)nn34)n2)cc1 170607786 BXMBNSTYEGPAFQ-UHFFFAOYSA-N 363.381 1.557 0 50 FDAA CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)c1ccc2c(c1)nnn2C 190142169 GBLPVLAITDDQOM-BBRMVZONSA-N 354.414 1.835 0 50 FDAA CN1Cc2ccccc2[C@@H](NC(=O)CCc2nc(O)c3cnn(C)c3n2)C1 757602242 LSMXRFRPTGYKPP-HNNXBMFYSA-N 366.425 1.304 0 50 FDAA Cc1cc(N)n(CC(=O)NC[C@H](C)Cn2nc(C)cc2C(F)(F)F)n1 1506395253 FVSBZARXEGHSFM-VIFPVBQESA-N 358.368 1.750 0 50 FDAA COc1ccc([C@@H]2[C@@H](C(=O)NCC3(C)COC3)OCC(=O)N2C2CC2)cc1 1529197128 KZJAIFMNJBHXHQ-MSOLQXFVSA-N 374.437 1.279 0 50 FDAA O=C([C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1)N1C[C@H]2CC=CC[C@H]2C1 1529179823 FCUMEXOMLTXYFI-GJJHYRHESA-N 367.449 1.937 0 50 FDAA Cc1ccc(Cl)c(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1 1704345439 YALWAIDFBITXOB-SMDDNHRTSA-N 360.863 1.285 0 50 FDAA O=C(O)[C@H]1COCCN(C(=O)CCc2nc(-c3ccccc3F)no2)C1 1772814107 KLSLMQHGKGFGSH-LLVKDONJSA-N 363.345 1.368 0 50 FDAA CC(C)CNC(=O)c1cn(C2CCN(C(=O)c3ccccn3)CC2)nn1 11911234 BMMSVXFPJBIICO-UHFFFAOYSA-N 356.430 1.536 0 50 FDAA Cc1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)nnn1-c1ccc(Cl)cc1 13720894 FJRWHBNAYQZHDC-LLVKDONJSA-N 354.819 1.146 0 50 FDAA Cn1c(C(=O)N[C@H]2C[C@H]3CO[C@@H](CCO)CN3C2)cc2cc(F)ccc21 1857691626 SQNISZKUHANGIU-JYJNAYRXSA-N 361.417 1.271 0 50 FDAA CCCNC(=O)N1CC(=O)N2[C@@H](C[C@H](C(=O)OC)[C@@H]2c2ccccc2)C1 1857695557 OPMXPMRUMPSSAM-ZOBUZTSGSA-N 359.426 1.553 0 50 FDAA O=C([C@H]1CCc2ncnn2C1)N1CCN(c2nsc3ccccc23)CC1 1857733628 RKWDLTUZTWYPMG-ZDUSSCGKSA-N 368.466 1.799 0 50 FDAA CC(C)n1cnnc1[C@H]1CCCN(C(=O)CCC(=O)N2CCOCC2)C1 329513691 YAPCEAOHSGVRLH-HNNXBMFYSA-N 363.462 1.204 0 50 FDAA Cc1oc(C(=O)O)cc1S(=O)(=O)N1CCN(Cc2cccs2)CC1 237666477 LTRLYKLQYPRYFY-UHFFFAOYSA-N 370.452 1.854 0 50 FDAA O=C(O)C[C@@H]1CN(C(=O)c2cccc(NC(=O)c3cccnc3)c2)CCO1 262750037 INIMGRDXHRUCGR-MRXNPFEDSA-N 369.377 1.650 0 50 FDAA CC(=O)N1CCc2cc(S(=O)(=O)NCc3cn4c(n3)CCCC4)ccc21 263794576 OMHZNLDMQZYFJJ-UHFFFAOYSA-N 374.466 1.607 0 50 FDAA CN1C(=O)CC[C@@H](C(=O)NCc2cn3ccsc3n2)[C@@H]1c1cnn(C)c1 265188552 HFPQZAMGBGRIJC-HIFRSBDPSA-N 372.454 1.355 0 50 FDAA COc1nc2ccccc2nc1CCC(=O)N1C[C@H]2COC[C@@H](C1)CN2C 1704336365 GYUBMFIEWWYEGR-CABCVRRESA-N 370.453 1.360 0 50 FDAA Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CC[C@H](N2CCOC2=O)C1 855504888 FQHZHAJCFKZURN-LBPRGKRZSA-N 374.363 1.658 0 50 FDAA O=C(N[C@@H]1CC(=O)N(c2ccccc2F)C1)c1cc([C@@H]2CCCN2)[nH]n1 2325797724 OCGSYNLIRNTYMN-YPMHNXCESA-N 357.389 1.509 0 50 FDAA Cc1ccc2c(c1)N[C@H](C(=O)N1CC(C)(C)C(F)(F)C1)NS2(=O)=O 2325804969 GIHQCMIRDGWHTL-LBPRGKRZSA-N 359.398 1.529 0 50 FDAA O=C(N1CC[C@H](Oc2ccc(-c3nn[nH]n3)cn2)C1)C12CC3C[C@H]1[C@H]2C3 2325808641 OQPRTXJQKFVRIB-UZKSPDJASA-N 352.398 1.288 0 50 FDAA CC[C@@H](NC(C)=O)C(=O)NS(=O)(=O)c1cccc(OC(F)F)c1 2325820614 LVGOTWLNNFCHIX-LLVKDONJSA-N 350.343 1.008 0 50 FDAA C[C@@H](CO)C(=O)N1CC[C@](C)(CNC(=O)c2ccc3cccnc3c2)C1 2325871352 IUMAAKUQSJKJBY-VBKZILBWSA-N 355.438 1.832 0 50 FDAA C=CC(=O)Nc1ccccc1CC(=O)N1CC[C@@H](C(=O)N2CCCC2)C1 2325894207 FRVMCCDPABFCKK-MRXNPFEDSA-N 355.438 1.825 0 50 FDAA CN(C)C(=O)[C@@H]1CO[C@H](CNC(=O)C[C@H]2OCCc3ccsc32)C1 2332238073 XTSCLCMVDLFNSP-MELADBBJSA-N 352.456 1.362 0 50 FDAA COc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1C(=O)O 167142 XSHDFSVVLUVNJI-UHFFFAOYSA-N 351.336 1.892 0 50 FDAA biogenic COc1cccc([C@H]2SC(NC(C)=O)=NN2C(C)=O)c1OC(C)=O 859229 CQOIBSYRNKCRTI-CQSZACIVSA-N 351.384 1.622 0 50 FDAA Cc1cccc(Cn2c(SCCCO)nc3c2c(=O)n(C)c(=O)n3C)c1 1819992 CBHYUZVAZMPFBX-UHFFFAOYSA-N 374.466 1.265 0 50 FDAA Cc1cccc2nc([C@H]3CCCN3C(=O)c3n[nH]c(-n4cnnc4)n3)[nH]c12 2356149424 ZOHHQYVDZMHEQT-GFCCVEGCSA-N 363.385 1.547 0 50 FDAA O=C1N(CCO)CCC[C@]12CCCN2Cc1cc(=O)c2cc(F)ccc2[nH]1 2356166025 UAJOBQYPTLZMSX-FQEVSTJZSA-N 373.428 1.617 0 50 FDAA C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC(C(N)=O)CC1 4775943 UORZQBQUEXVIKK-SNVBAGLBSA-N 355.232 1.940 0 50 FDAA Cn1c(=O)c2c(nc3n2C(c2ccccc2)=NCCCS3)n(C)c1=O 6447503 JDDKSSYICJFCCY-UHFFFAOYSA-N 355.423 1.224 0 50 FDAA Cc1cccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCCC3)c2)c1C 6917277 GEMABFPYTQPGLA-UHFFFAOYSA-N 362.455 1.923 0 50 FDAA Cc1ccc(CN2CCN(c3cc(NCCO)ncn3)C[C@H]2CCO)cc1 106945490 PXIHYDVNALYXRQ-GOSISDBHSA-N 371.485 1.262 0 50 FDAA CN(CCO)[C@@H]1c2ccccc2C2(CCN(Cc3nccn3C)CC2)[C@H]1O 20454798 KIHVGWKPRNXVOA-UXHICEINSA-N 370.497 1.294 0 50 FDAA Cc1nc(N2CCN(C(=O)Cc3ccccc3)CC2)cc(-n2ccnc2)n1 67602113 JYAZEDJUXRKRBI-UHFFFAOYSA-N 362.437 1.862 0 50 FDAA COc1cccc(C(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)c1 67629572 TUIVQSUFNDRFCY-UHFFFAOYSA-N 371.441 1.472 0 50 FDAA CCc1nsc(N2CCCN(C(=O)[C@@H]3NCCCC3(C)C)CC2)n1 423420730 BGFRVFKZFGKCGQ-AWEZNQCLSA-N 351.520 1.917 0 50 FDAA Cc1ncc2c(c1-c1noc(-c3ccc[nH]3)n1)CCN(S(C)(=O)=O)C2 20866480 LVIPWTVUPYVHKV-UHFFFAOYSA-N 359.411 1.753 0 50 FDAA Cc1cccc(C)c1Oc1ncccc1CNC(=O)CNS(C)(=O)=O 67688816 QQGPEORNADCVAF-UHFFFAOYSA-N 363.439 1.656 0 50 FDAA COCc1noc(-c2nc3c([nH]2)C[C@H](c2ccc(F)cc2)CNC3=O)n1 65456712 XZXPYEYRVMMPGL-JTQLQIEISA-N 357.345 1.815 0 50 FDAA Cc1cccn2c(=O)c(CN3C[C@H](N(C)C)C[C@H]3CO)c(Cl)nc12 65428733 SNGDSVIMZGAVGU-OLZOCXBDSA-N 350.850 1.153 0 50 FDAA Cc1[nH]c2c(F)cccc2c1CC(=O)N1C[C@@H](N)C[C@H]1C(=O)NC(C)C 67947736 SYPOBRXHEDKXRW-LRDDRELGSA-N 360.433 1.611 0 50 FDAA Cc1ccc([C@@H]2CN(C(=O)CNC(=O)N(C)C)C[C@H]2NC(=O)C2CC2)cc1 77339243 YSIFSIBASQXVIC-DLBZAZTESA-N 372.469 1.087 0 50 FDAA CCn1ccnc1CN(CC(=O)Nc1cc(C)on1)[C@@H]1CC12CCNCC2 435692363 IZYKXOLEBAMPFP-OAHLLOKOSA-N 372.473 1.782 0 50 FDAA COc1ccc(-c2nc3ccccn3c2CN2CCN[C@@H](C(=O)O)C2)cc1 71747650 NTOVWFWFURJUOG-MRXNPFEDSA-N 366.421 1.868 0 50 FDAA CCNC(=O)C(C)(C)CNC(=O)NCc1ccc(-n2ccnc2)c(F)c1 125405533 SPDDQCQLCXHRCC-UHFFFAOYSA-N 361.421 1.973 0 50 FDAA CCn1cc(CN2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C2CC2)C3)c(C)n1 72429078 HAUZVTREUPOJER-KRWDZBQOSA-N 374.485 1.889 0 50 FDAA CC(C)[C@H](O)C(C)(C)CNC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 127164306 MPLBSJNVOQIZJD-AWEZNQCLSA-N 363.483 1.995 0 50 FDAA Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCCN(C(=O)C2(C)CC2)C1 72412445 LNUAYIRDJIFWJN-CQSZACIVSA-N 361.490 1.278 0 50 FDAA CN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@@H]1CSCN1 154807050 IEFNKNGJIKWWCL-PWSUYJOCSA-N 364.389 1.566 0 50 FDAA CNC(=O)c1ccc(Cn2ncc(N(C)CCc3ccccc3)cc2=O)o1 72425734 QRXKYPHZJPGASU-UHFFFAOYSA-N 366.421 1.923 0 50 FDAA COC(=O)N1CCCC[C@@H]1C(=O)N1CCc2nc(-c3cccnc3)[nH]c2C1 216430155 DTCMHBMBJAWSGR-MRXNPFEDSA-N 369.425 1.977 0 50 FDAA COc1ncc(NC(=O)N2CCN(c3ccc(F)cn3)CC2)cc1C(N)=O 367636150 SSCVNACWKKYHTR-UHFFFAOYSA-N 374.376 1.077 0 50 FDAA Nc1cc(C(=O)N2CCC[C@@]3(CCC(=O)N(Cc4ccccn4)C3)C2)n[nH]1 72474296 HDTRIQFPYRWNSB-LJQANCHMSA-N 368.441 1.432 0 50 FDAA COc1cccc(C(=O)N2CCN(C(=O)[C@@H](C)Cn3cccn3)CC2)c1 77378651 IMQDCZALCTXMIS-HNNXBMFYSA-N 356.426 1.512 0 50 FDAA O=C(CCn1ccc(=O)[nH]c1=O)N1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 72426617 XOPZEJYTVIWARH-CQSZACIVSA-N 371.372 1.306 0 50 FDAA CS(=O)(=O)NCCC(=O)N1CCC[C@H](CCc2ccc(F)cc2)C1 71763914 MDDQIDONGYBKFP-OAHLLOKOSA-N 356.463 1.936 0 50 FDAA O=C(N[C@@H](C(=O)O)c1ccc2c(c1)CCO2)[C@@H]1COc2ccccc2O1 262990894 KCVGYXYFHSZARU-DLBZAZTESA-N 355.346 1.703 0 50 FDAA O=C([C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2)N1CCN(Cc2ccon2)CC1 375556996 JXBRPKVICNIFBN-YIYPIFLZSA-N 359.348 1.675 0 50 FDAA COC(=O)CNC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 77408160 MEUVYSOBGYBKBM-LJQANCHMSA-N 374.441 1.169 0 50 FDAA CN(C)C(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1cccc2ccccc12 219107749 LMIYQRLKGGWSSY-MSOLQXFVSA-N 356.422 1.832 0 50 FDAA CC(C)CCn1c(CN2CCN(S(N)(=O)=O)CC2)nc2ccccc21 216445628 WSXOOLCDWXZFMX-UHFFFAOYSA-N 365.503 1.404 0 50 FDAA O=C(CCn1nnc2ccccc21)N1CCC[C@@H](N2CCC(CO)CC2)C1 72172696 QXSWGVSEOGMRMF-QGZVFWFLSA-N 371.485 1.517 0 50 FDAA CN1CCCC[C@H]1CNc1ncnc2c1CCN(C(=O)c1cccnc1)C2 72163112 BFRAKKONZGHTSP-INIZCTEOSA-N 366.469 1.966 0 50 FDAA COC(=O)[C@@H]1CCN2C(=O)N(c3ccc(OC(F)F)nc3)C(=O)[C@@H]2C1 286120013 SKJCMVOLOOMUJN-SCZZXKLOSA-N 355.297 1.403 0 50 FDAA Cn1c(C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)cc2ccc(Cl)cc21 426497272 OGTUJDUPCPOZGZ-SNVBAGLBSA-N 355.847 1.582 0 50 FDAA Cc1n[nH]c(C)c1CCN(C)c1cc([C@H]2CCOC2)nc(N2CC(O)C2)n1 426477978 IAQGJDNZVMBTOB-AWEZNQCLSA-N 372.473 1.180 0 50 FDAA O=C(N[C@@H]1CCOC[C@H]1OCC1CC1)c1cc(=O)c2cccc(F)c2[nH]1 222328655 XKZYGKDTABSIEQ-RHSMWYFYSA-N 360.385 1.981 0 50 FDAA CN(C)C(=O)N1CCCn2nc(CNc3ncnc4[nH]cnc34)cc2C1 82107610 SQCJFKWTRNJWNO-UHFFFAOYSA-N 355.406 1.049 0 50 FDAA CN(C)C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cn3ccsc3n1)C2 222399020 RWDFAYLUBYJMJY-OAHLLOKOSA-N 374.470 1.233 0 50 FDAA O=C(NCC1(N2CCOCC2)CCCC1)N1CCC(c2nc[nH]n2)CC1 426442663 NQYFIGYPICQEGB-UHFFFAOYSA-N 362.478 1.339 0 50 FDAA O=C(Cn1ccc([C@H]2CCCNC2)n1)NCCN1CCCc2ccccc21 426433600 IFWMOCJGMUWSRJ-SFHVURJKSA-N 367.497 1.919 0 50 FDAA Cc1nc2ncccn2c1C(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1 223841838 MGPQNQGGJSHIHU-ZIAGYGMSSA-N 353.382 1.399 0 50 FDAA Nc1[nH]nc(C(=O)N2CCCn3nc([C@@H](O)C4CC4)cc3C2)c1Cl 222971377 HZTXGUULVSAXBU-ZDUSSCGKSA-N 350.810 1.331 0 50 FDAA COc1cccc(-c2ccc(C(=O)NCCN3CCC[C@@H](C(N)=O)C3)o2)c1 97698609 CUCPRBOVHHOXEW-OAHLLOKOSA-N 371.437 1.882 0 50 FDAA O=C1C[C@@H](C(=O)O)C2(CCN(Cc3cccc(N4CCOCC4)c3)CC2)N1 95376081 UPFXVGXYVDNWLL-KRWDZBQOSA-N 373.453 1.079 0 50 FDAA CN(C)Cc1cccc(C(=O)N2CCN([C@H]3CN4CCC3CC4)CC2)c1 97681752 PNEJTAIDZRBXJO-FQEVSTJZSA-N 356.514 1.600 0 50 FDAA COc1cccc2c1OC[C@@H](CNC(=O)c1ccccc1-c1nnn[nH]1)C2 95379363 NXGVIQVHCSSUKE-GFCCVEGCSA-N 365.393 1.856 0 50 FDAA O=C([C@H]1CCCN(Cc2ccco2)C1)N1CCN(c2ncccn2)CC1 95359316 ZRAOFWSNYDHAQG-INIZCTEOSA-N 355.442 1.630 0 50 FDAA O=C([C@H]1CNC[C@H](C(=O)N2CCC(c3ccncn3)CC2)C1)N1CCCC1 95383462 CDTGVSRZWIDVBU-IAGOWNOFSA-N 371.485 1.031 0 50 FDAA CCOc1ncccc1CNC(=O)CCc1nc2ccccc2[nH]c1=O 91643802 UHTQUZCJMCOFOO-UHFFFAOYSA-N 352.394 1.966 0 50 FDAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)Cn2ccc(=O)c3ccccc32)on1 96140928 JUAXTKGAPOSUGI-PBHICJAKSA-N 367.405 1.672 0 50 FDAA NC(=O)Cn1ccnc1C1CCN(C(=O)CCc2cccc(F)c2)CC1 95526856 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1.833 0 50 FDAA CCC[C@@H]1CN(Cc2ccc3nsnc3c2)C[C@H]1NS(C)(=O)=O 82106214 ZBVRNBFDBAJEGK-IUODEOHRSA-N 354.501 1.841 0 50 FDAA CSc1cccc(CNC(=O)N2CCN(c3ncc[nH]c3=O)CC2)c1 426701552 FCEOUSZIMQDABT-UHFFFAOYSA-N 359.455 1.524 0 50 FDAA Cc1nc(CN2CCN(C(=O)NCc3nc4ccccc4n3C)CC2)no1 426405162 OPUROGMBWCDXTP-UHFFFAOYSA-N 369.429 1.292 0 50 FDAA COc1cccc(OC[C@H]2CCCN(C(=O)NCCCc3nn[nH]n3)C2)c1 426490740 RENQYCSOXNUSIE-AWEZNQCLSA-N 374.445 1.642 0 50 FDAA O=C1CCCCN1CCC(=O)N1CCc2[nH]cnc2[C@H]1c1ccncc1 97757993 YXFZETBFWRHFOT-LJQANCHMSA-N 353.426 1.681 0 50 FDAA COc1cc(Cl)cc(OC)c1[C@H](C(=O)O)N1CCC(C(N)=O)CC1 95386635 TZXNKDKXZAJJQT-CQSZACIVSA-N 356.806 1.680 0 50 FDAA CCn1nc(C)c(C2=C/C(=C(\O)N[C@@H]3CCS(=O)(=O)C3)N=N2)c1C 334159506 MVTVJGONTXWKFZ-QORHXFOUSA-N 351.432 1.830 0 50 FDAA Cc1nc(C)c(C(=O)N2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)s1 95513034 BLLXRLAHJRMHLM-NSHDSACASA-N 351.428 1.298 0 50 FDAA CN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N(C)C)cc3)nc2)CC1 426399217 LNRNTYRQTXFPHP-UHFFFAOYSA-N 374.510 1.746 0 50 FDAA O=C(c1ccccc1-c1nc[nH]n1)N1CCC(Oc2ncccn2)CC1 97553350 ZAPMSGXTCTYUCV-UHFFFAOYSA-N 350.382 1.945 0 50 FDAA O=C(NCc1cc2n(n1)CCN(C(=O)Cc1ccncc1)C2)C1CCC1 426667154 VGTJAODSSCVFKK-UHFFFAOYSA-N 353.426 1.279 0 50 FDAA O=C1N(CCO)CCC[C@@]12CCN(Cc1cc(O)c3cccc(F)c3n1)C2 91986781 CHEQEHWFRDKKPN-FQEVSTJZSA-N 373.428 1.886 0 50 FDAA Cc1ccccc1Cn1nc(CC(N)=O)nc1CSc1ncccn1 95512877 WLNVSVRSOIFUCS-UHFFFAOYSA-N 354.439 1.745 0 50 FDAA CS(=O)(=O)NCCNC(=O)c1ccc(-c2ccc3c(c2)CCC3=O)cc1 426361256 JTBXXNSAXGAPKW-UHFFFAOYSA-N 372.446 1.762 0 50 FDAA COc1ccc2c(c1)[C@@H](C(=O)N1CCc3nnc(C)n3CC1)CC(=O)N2 91915047 FUVPPJGUONUWRX-AWEZNQCLSA-N 355.398 1.106 0 50 FDAA CCc1nn(-c2ccccc2)c(NC(=O)NCCS(C)(=O)=O)c1C 96166346 UCEQLKPBPDCDFR-UHFFFAOYSA-N 350.444 1.909 0 50 FDAA NC(=O)Cn1ccnc1C1CCN(c2nc(-c3ccccc3)no2)CC1 95510347 SECIUNJAOYKUIB-UHFFFAOYSA-N 352.398 1.802 0 50 FDAA CCCNC(=O)c1ccc(NC(=O)N2CCOC[C@H](O)C2)cc1Cl 97578752 WBKOQNZPHPLXKL-GFCCVEGCSA-N 355.822 1.705 0 50 FDAA C[C@H]1CN(C(=O)CN2CCn3nc(Cc4ccccc4)cc3C2)C[C@@H](C)O1 97711699 PLFRXGPZVNKDFU-CALCHBBNSA-N 368.481 1.925 0 50 FDAA Cc1nc(CCC(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)n[nH]1 95368417 MIFTUQTXJANUDZ-LSDHHAIUSA-N 368.441 1.204 0 50 FDAA CCN1CCC[C@H]1CNC(=O)c1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C 245311977 RFFBFDMQYWRRNM-GJZGRUSLSA-N 368.503 1.074 0 50 FDAA Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H](C)c1nc(C2CC2)no1 244884441 YMRHDRITALXZRC-JTQLQIEISA-N 355.402 1.812 0 50 FDAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3[C@@H]4[C@H]5[C@]16CCSCC[C@]56[C@@H]2[C@@H]34 247903610 LDQLPMQXZGNMGH-DILRVOJOSA-N 365.458 1.916 0 50 FDAA Cn1c(CO)nnc1[C@@H]1CCCN(Cc2nc(-c3ccncc3)no2)C1 244734797 NMBDSTJANXNBFG-CYBMUJFWSA-N 355.402 1.132 0 50 FDAA CN(C)[C@H]1CCN(CC(=O)N2CCN(c3ncccc3Cl)CC2)C1 244795417 RGAUEGUHSFSUKY-AWEZNQCLSA-N 351.882 1.020 0 50 FDAA Cc1ccc(NC(=O)CCN2CCC(NS(C)(=O)=O)CC2)cc1F 243901248 BAKRAOWWGRILOM-UHFFFAOYSA-N 357.451 1.476 0 50 FDAA O=C1NC[C@@H](O)Cn2nc(C(=O)N(Cc3ccccc3)CC3CCC3)cc21 252506880 WCIMMKXEHPMKFY-MRXNPFEDSA-N 368.437 1.430 0 50 FDAA O=C(Cc1c[nH]c2ccccc12)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1O 252495437 OQHSLIVSKYJALG-WOJBJXKFSA-N 364.449 1.857 0 50 FDAA O=C(O)C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)c1ccccc1 299749505 KNBQRBVOUBQNBA-RDJZCZTQSA-N 367.405 1.762 0 50 FDAA CCc1nccn1CCNC(=O)N1CCNC(=O)[C@H]1c1ccc(F)cc1 534580231 QGDWTNLHSWECRT-MRXNPFEDSA-N 359.405 1.467 0 50 FDAA CNc1nc([C@H]2CCOC2)cc(N2CCOc3ccc(CO)cc3C2)n1 299755634 CFKTWHIYSQTJRC-AWEZNQCLSA-N 356.426 1.914 0 50 FDAA COc1cccc(SCC(=O)N2CC[C@H]3[C@H](C2)OCc2cnnn23)c1 299765977 YWGQSZTUEIQTND-HOTGVXAUSA-N 360.439 1.751 0 50 FDAA COc1cc(NC(=O)N2CCCn3nc(C)cc3C2)cc(-n2cnnn2)c1 299763846 FMETXEUDFVOWLF-UHFFFAOYSA-N 368.401 1.614 0 50 FDAA C[C@@H](C(=O)N1CCOC2(CCN(Cc3cnc[nH]3)CC2)C1)n1cccc1 827654161 DYQUDSGWIQBBKY-INIZCTEOSA-N 357.458 1.666 0 50 FDAA O=C1C[C@@H](Sc2ccccc2C(=O)NCc2cccc(CO)c2)C(=O)N1 828827579 HHDLAVRRYMWTHE-MRXNPFEDSA-N 370.430 1.616 0 50 FDAA O=C1OC[C@@H]2CN(Cc3ccccc3OCCCn3ccnc3)CCN12 828322822 FVWBREDDFRFPAE-KRWDZBQOSA-N 356.426 1.989 0 50 FDAA O=C(Cc1ccc(O)nc1)N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952848196 IAVHHHQOZVSDRM-CABCVRRESA-N 353.426 1.977 0 50 FDAA Cn1nc(C(=O)N[C@H]2CCOC[C@H]2Nc2ccncn2)c2ccccc21 952888165 FVCAUZJVHNFZAG-UONOGXRCSA-N 352.398 1.363 0 50 FDAA C=CC(=O)NCc1ccc(C(=O)N2CCN(C3=NCCS3)CC2)cc1 1875370227 GRHFJAMTMYQPQV-UHFFFAOYSA-N 358.467 1.349 0 50 FDAA CS(=O)(=O)c1coc(C(=O)NC2(c3nccs3)CCOCC2)c1 1875405915 RKRDVKPGLYQHEX-UHFFFAOYSA-N 356.425 1.575 0 50 FDAA CCn1cccc1C(=O)N1CC[C@@]2(CCN(C(=O)[C@H]3OCC3(C)C)C2)C1 1875406749 LDKYINAEXSKPFT-OXQOHEQNSA-N 359.470 1.998 0 50 FDAA CCOCC(=O)N1CCC(C(=O)Nc2ccc3nc([C@H](C)O)[nH]c3c2)CC1 952860294 LGEQMTXARWFVTP-LBPRGKRZSA-N 374.441 1.830 0 50 FDAA Cc1nnn(C23C[C@H]4C[C@@H](CC(NC(=O)CCCn5cncn5)(C4)C2)C3)n1 952974725 VDLCCIKAJXHYAJ-QEFXCSQDSA-N 370.461 1.218 0 50 FDAA CC(=O)N1C[C@@H](NC(=O)c2cnccc2N(C)C)CC[C@@H]1C(F)(F)F 886031251 UGXGAIGXFQUKIX-SMDDNHRTSA-N 358.364 1.819 0 50 FDAA Cc1noc(C[C@@]2(O)CCCN(Cc3ccc(N4CCCC4)nc3)C2)n1 886096894 NLOFGOSZZFNVAE-IBGZPJMESA-N 357.458 1.943 0 50 FDAA CCOc1ccc(C(=O)N[C@H]2CCN(Cc3c(C)noc3C)C[C@@H]2O)o1 1565528200 ZMLJXUQPOUFBPM-GJZGRUSLSA-N 363.414 1.648 0 50 FDAA O=C(N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N1CCCCC1)c1ccc(-n2cnnc2)nc1 1565513195 ZESQPCLHBUFIFJ-RANZSIQMSA-N 368.441 1.034 0 50 FDAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)CC)CN1Cc1coc(-c2ccccc2)n1 95501330 IFXJTVHZOCEPQR-WBVHZDCISA-N 370.453 1.947 0 50 FDAA O=S(=O)(NC[C@H]1CCc2nccn2C1)c1ccc2c(c1)OCCCO2 275230393 DENLNBSRJXXWMQ-CYBMUJFWSA-N 363.439 1.585 0 50 FDAA CC(C)c1noc([C@H](NC(=O)NCCn2ccnc2)C2CCOCC2)n1 276369076 SIAJBQFIPVXHMS-CQSZACIVSA-N 362.434 1.857 0 50 FDAA Cn1cc(C(N)=O)c(NC(=O)C2(c3cncc(Br)c3)CC2)n1 1321632406 XTTXIFQCEQUNHQ-UHFFFAOYSA-N 364.203 1.347 0 50 FDAA O=C(Nc1cnn(-c2ncccn2)c1)N1C[C@@H](CO)[C@H](c2ccsc2)C1 189025708 NZPOLZUEQBTWRV-ZFWWWQNUSA-N 370.438 1.964 0 50 FDAA CN(C)C(=O)N1C[C@H]2CN(c3ncnc4ccccc34)C[C@@]2(C(=O)O)C1 1073314348 KJRNHMOOEGOWNV-KZULUSFZSA-N 355.398 1.134 0 50 FDAA COc1cccc2c1OC[C@H](C(=O)Nc1csc3nc(=O)c(C)nn13)C2 1529166983 GPUMBORKRVAVLI-LLVKDONJSA-N 372.406 1.658 0 50 FDAA CCc1ncc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3CCCOC)C2)cn1 216260845 DXFDTGVUJWAJTP-ZBFHGGJFSA-N 360.458 1.529 0 50 FDAA Cc1cc(C[C@@H]2CN(C(=O)c3cc4c(cc3C)OCCO4)C[C@H]2O)n[nH]1 1704273637 BPAJIERFUPIJDZ-CZUORRHYSA-N 357.410 1.473 0 50 FDAA COc1ccccc1CNC(=O)CN1C[C@@H](Cc2cc(C)no2)[C@@H](OC)C1 1704301018 GHEOZWGGTZIPQP-APWZRJJASA-N 373.453 1.797 0 50 FDAA Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1C[C@H]2CCCN2C(=O)[C@H]1C 1772712529 NZEXGVABNLUBRG-ZIAGYGMSSA-N 354.476 1.465 0 50 FDAA Cc1nnc2n1C[C@H](CNC(=O)CCCc1nc(-c3cccnc3)no1)C2 1772709468 KMVWAXSWMWSBNO-ZDUSSCGKSA-N 367.413 1.343 0 50 FDAA O=C(NCCCn1nnc2ccccc21)[C@H]1CCN(c2ccccc2)C1=O 12458805 YTIYPCHMRZUQAQ-MRXNPFEDSA-N 363.421 1.991 0 50 FDAA Cc1cc(OC(C)(C)C(=O)N2CCN(S(C)(=O)=O)CC2)ccc1Cl 16603984 MGSSBROFNUZCLM-UHFFFAOYSA-N 374.890 1.910 0 50 FDAA CCOC(=O)C1=NN[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 17822989 QKFBRBJMKDZPKR-ZJUUUORDSA-N 356.165 1.374 0 50 FDAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)[C@@H](N)Cc1cnc[nH]1)CC2 1857695407 IPOVSPVMCVJKTG-KRWDZBQOSA-N 364.453 1.307 0 50 FDAA CCOc1ccc2nc(N3C[C@@H](C(=O)N4CC(O)C4)CC3=O)sc2c1 1857715867 LZCXVORMBDHIMY-JTQLQIEISA-N 361.423 1.251 0 50 FDAA Cc1cc(N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)nc(N2CCOCC2)n1 1857721305 JEBUKJYMBDCQKR-TVKQPGBESA-N 373.501 1.167 0 50 FDAA O=S(=O)(N[C@H]1CCO[C@@]2(CCOC2)C1)c1ccc(Br)o1 408216380 UNJYIILNWRBYAY-CABZTGNLSA-N 366.233 1.659 0 50 FDAA O=C(c1cccc(Cl)c1)N1CC(S(=O)(=O)NCCN2CCCC2)C1 329938381 AGJVCHOQNFILMZ-UHFFFAOYSA-N 371.890 1.180 0 50 FDAA Cc1c(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)nnn1C 333945402 SUYHSFFXMBXIDO-LBPRGKRZSA-N 365.846 1.931 0 50 FDAA CCCCS(=O)(=O)N1CCN(c2ccc(-n3ccc(C)n3)nn2)CC1 13009353 KJPCUOIBHTYOMT-UHFFFAOYSA-N 364.475 1.223 0 50 FDAA O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)Cc1ccncc1 247948116 ROVHMIQAPVWFOK-SJORKVTESA-N 350.422 1.782 0 50 FDAA CCn1cc(CN2C[C@H]3c4cccc(OC)c4OC[C@@]3(C(=O)O)C2)cn1 248263180 XTDGRLVWFMBOHM-KXBFYZLASA-N 357.410 1.974 0 50 FDAA Cc1cc(N)n(CC(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)n1 253478075 JASYXMWAQKJANP-MSOLQXFVSA-N 353.470 1.897 0 50 FDAA CC(=O)c1ccc(CC(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)cc1 263850345 LBYZODZIUDIDQT-SFHVURJKSA-N 358.438 1.672 0 50 FDAA Cc1noc(COC2CN(C(=O)[C@@]3(C)Cc4ccccc4C(=O)O3)C2)n1 818660642 ZYTJAIVPEZSANA-GOSISDBHSA-N 357.366 1.277 0 50 FDAA Cc1noc(COC2CN(C(=O)[C@@](C)(O)c3ccc(Cl)cc3)C2)n1 818663496 USRIWGWNQGJKEO-INIZCTEOSA-N 351.790 1.667 0 50 FDAA Cc1ccc(S(=O)(=O)N2CCN(c3ncc4ncn(C)c4n3)CC2)cc1 2100555561 XATKHSCQIOEGIT-UHFFFAOYSA-N 372.454 1.183 0 50 FDAA O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1C[C@H]2C[C@H]1CCC2(F)F 2325766611 FSZWWGBRBDOTAN-GIPNMCIBSA-N 357.382 1.363 0 50 FDAA COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC(=O)Cn1ccc(=O)c(O)c1C 2325804366 IPSPXIVUVVSGHU-XJKSGUPXSA-N 372.421 1.399 0 50 FDAA CC[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)NC(=O)c1ccc(Cl)cc1N 2325822219 JZMCKRKRFRVNMU-ZYHUDNBSSA-N 366.849 1.073 0 50 FDAA COC1(C(F)(F)F)CC(N)(C(=O)N[C@@H]2C[C@@H](C(=O)O)c3ccccc32)C1 2325829674 PHTDUCUEKNBFLH-CPWXYTRJSA-N 372.343 1.855 0 50 FDAA Cc1ccc(C(=O)NC[C@@H](C)CN(C)C(=O)Cc2cccn2C)nc1O 2325869076 XZKAWKQMXYPRDI-CYBMUJFWSA-N 358.442 1.501 0 50 FDAA O=C1CC[C@@H](N2Cc3ccc(NC(=O)C4CCCCC4)cc3C2=O)C(=O)N1 2325888048 UQQQOSBQMSDYAZ-MRXNPFEDSA-N 369.421 1.966 0 50 FDAA Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NCCN(C)CCO)c12 925010169 MRZJNBWZXPIJTR-UHFFFAOYSA-N 373.482 1.659 0 50 FDAA O=C(NC1CN(C(=O)CCc2cn[nH]c2)C1)[C@H]1CC[C@H](OC(F)F)C1 2332239420 RWEBJOPQFADLDO-AAEUAGOBSA-N 356.373 1.077 0 50 FDAA CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 807189 OUDNXTWITBCPIW-ZFWWWQNUSA-N 370.471 1.437 0 50 FDAA CN1C(=O)[C@](O)([C@H]2COC(C)(C)CC2=O)c2cc(Br)ccc21 1057580 YBDROSYZDYYNLQ-MEDUHNTESA-N 368.227 1.997 0 50 FDAA COc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2)cc1OC 1195476 QPOYOTJVXXOBII-UHFFFAOYSA-N 365.407 1.979 0 50 FDAA COc1cc(Cl)cc(CN2CC[C@H](O)[C@@]3(CCCNC3=O)C2)c1OC 2356133877 JJVBEJQQVCHLKU-MAUKXSAKSA-N 368.861 1.820 0 50 FDAA C[C@H]1CCCN(CC(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)C1 2356151029 NGPVBKVRZCNEOE-KRWDZBQOSA-N 367.497 1.986 0 50 FDAA O=C(N1CCOCC1)C12CC3CC(C1)CC(C(=O)N1CCOCC1)(C3)C2 3900084 RMPGOQCQGLNKTE-UHFFFAOYSA-N 362.470 1.291 0 50 FDAA O=C(O)CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2 4974008 RUTLGYJOEGMQDR-UHFFFAOYSA-N 363.391 1.733 0 50 FDAA O=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1cccnc1 6699994 KPVJZKQHJRVAFK-HNNXBMFYSA-N 361.423 1.791 0 50 FDAA COc1ccc([C@H]2CN(C(=O)CC3=CSC4=NCCCN34)C[C@@H]2N)cc1 102683296 ROCUNWGIBILRAE-SJORKVTESA-N 372.494 1.988 0 50 FDAA CN1CCO[C@@H]2CN(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)C[C@@H]21 134567698 HESUVTQZJXRSOW-DLBZAZTESA-N 358.442 1.469 0 50 FDAA CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)c2ccc(OC)cc2)C1 106231030 JSLXBJMKYZSLND-HIFRSBDPSA-N 354.472 1.934 0 50 FDAA COCc1nc(-c2nc3c([nH]2)C[C@H](c2ccccc2OC)CNC3=O)no1 67982533 VZIMFFWNMRWZRQ-JTQLQIEISA-N 369.381 1.684 0 50 FDAA O=C1N(CCC2CCCCC2)CCC[C@@]1(O)CNCCc1cnccn1 67674741 ILXYFUNCBQTLNI-HXUWFJFHSA-N 360.502 1.933 0 50 FDAA O=c1c2c3c(sc2ncn1CCCc1nnc2ccccn12)CNCC3 65387422 KPEUJQFBXVTKCV-UHFFFAOYSA-N 366.450 1.779 0 50 FDAA CC(C)(O)c1cn(C2CCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)nn1 20783397 BOPHXPSPEMOXJS-INIZCTEOSA-N 356.426 1.673 0 50 FDAA O=C(N[C@@H]1CCOC1)c1cc(COc2ccc(-n3cncn3)cc2)on1 20995867 LKZUDJJKBCQLAY-GFCCVEGCSA-N 355.354 1.353 0 50 FDAA Cc1nccn1CC1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1 62130386 QNVKMYBIDBLDGJ-UHFFFAOYSA-N 365.437 1.840 0 50 FDAA CC(C)CN1CC[C@H](CNC(=O)c2ccc(NCC(=O)N(C)C)nc2)C1 67856475 RNADHTSIPUPAPA-OAHLLOKOSA-N 361.490 1.289 0 50 FDAA COc1ccc(-c2cc(CNC(=O)C[C@H]3C=CS(=O)(=O)C3)no2)cc1 218873416 GWJUEBPTQXUUHW-GFCCVEGCSA-N 362.407 1.915 0 50 FDAA Cc1ccc(Cl)cc1NC(=O)CN1CCN(C(=O)[C@H]2CCCO2)CC1 36122872 IFYSZQQAJAZZEK-MRXNPFEDSA-N 365.861 1.910 0 50 FDAA c1cn(-c2ccc(CN3CCCO[C@H](CN4CCOCC4)C3)cc2)cn1 215810771 VALXMQPQLALZTD-HXUWFJFHSA-N 356.470 1.795 0 50 FDAA CN(Cc1ccccc1)C1(C(=O)NCCC(N)=O)Cc2ccccc2C1 39479208 ISLALLMXFGHODE-UHFFFAOYSA-N 351.450 1.648 0 50 FDAA Cc1cc(C)n(-c2ccc(C(=O)NC[C@H](CO)Cc3cccnc3)cn2)n1 253431648 HSFDAOOCSULNAX-QGZVFWFLSA-N 365.437 1.860 0 50 FDAA CCN1C[C@@H](C)N(S(=O)(=O)c2cc(COC)ccc2OC)C[C@H]1C 330594023 ARJLDPZHZRJUHI-ZIAGYGMSSA-N 356.488 1.945 0 50 FDAA COCCN(C(=O)c1csc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 330539444 XJEXUCGKAJOXLD-QMMMGPOBSA-N 372.390 1.438 0 50 FDAA C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 155902849 RJPOTYFIRDXNNC-HOTGVXAUSA-N 372.469 1.791 0 50 FDAA CC(=O)N1CCc2ccc(S(=O)(=O)N[C@@H]3CCCC[C@@H]3CN)cc21 236595788 GIZUYUPYZFYMGR-GDBMZVCRSA-N 351.472 1.391 0 50 FDAA CCS(=O)(=O)N1CCC[C@H](c2nnc(CN3CCCCC3)n2C)C1 72424720 KLNYUYLGSCQONB-AWEZNQCLSA-N 355.508 1.330 0 50 FDAA O=C1CSc2ccc(C(=O)N[C@H](C(=O)O)[C@@H]3CCCOC3)cc2N1 262771423 LINZGRISDYRFIL-YGRLFVJLSA-N 350.396 1.340 0 50 FDAA Cc1cc(O)cc(=O)n1CC(=O)N1CC[C@@]2(CC(=O)c3ccccc3O2)C1 333979727 BUWFIWYYHFRBAI-HXUWFJFHSA-N 368.389 1.499 0 50 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366.439 1.453 0 50 FDAA O=C(c1n[nH]c2c1COCC2)N1CCN([C@@H]2CCc3ccccc3C2)CC1 252505384 VQPLHRUNTKJWCL-QGZVFWFLSA-N 366.465 1.798 0 50 FDAA O=C(c1ccc2sccc2c1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 268453333 QOGMKMGKTQRPNL-HNNXBMFYSA-N 364.492 1.846 0 50 FDAA CCc1[nH]nc2c1CN(C(=O)Nc1ccc3c(c1)OCC(=O)N3C)CC2 534667790 LBTCLOJUIIGAAN-UHFFFAOYSA-N 355.398 1.918 0 50 FDAA CO[C@@]12CC[C@H](O)C[C@@H]1N(S(=O)(=O)c1ccccc1C(=O)O)CC2 299786170 PLGFFAPDBHZQEU-HZUKXOBISA-N 355.412 1.078 0 50 FDAA Cc1noc([C@H](C)NC(=O)N2CCN(CCc3ccccc3)C(=O)C2)n1 584886732 NLTDVHHUYJBOIU-ZDUSSCGKSA-N 357.414 1.536 0 50 FDAA Cc1ccc(CS(=O)(=O)CCN2C(=O)NC(C)(C)C2=O)nc1Cl 864493366 ZHIHWGMSBAEMMW-UHFFFAOYSA-N 359.835 1.289 0 50 FDAA O=C(Cc1noc([C@H]2CCCc3nn[nH]c32)n1)N(CC(F)(F)F)C1CC1 952892126 BYPBKHAXECBESE-VIFPVBQESA-N 370.335 1.752 0 50 FDAA O=S1(=O)CCC(OCCn2cc([C@@H](O)c3ccccc3)cn2)CC1 1875272418 ACDFFHUMKHXILX-KRWDZBQOSA-N 350.440 1.559 0 50 FDAA O=C1CC2(CCC2)[C@@H](NC(=O)[C@H](O)c2ccc(C(F)(F)F)cc2)CN1 1875298916 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SGDCELIZPCMLEX-YLJYHZDGSA-N 350.503 1.889 0 50 FDAA Cc1nc2ncnn2c(C)c1CCC(=O)NCc1[nH]nc2ncccc12 1772812076 HVUTXAGIKBWRRN-UHFFFAOYSA-N 350.386 1.261 0 50 FDAA CC1=NN(Cc2ccccc2C)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 5147953 LGVRCZPTDUVEMN-UHFFFAOYSA-N 352.398 1.138 0 50 FDAA NC(=O)CNC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 15066288 HANWRMIIVAQTFM-UHFFFAOYSA-N 368.437 1.340 0 50 FDAA O=C(NC1CC1)c1ccc(C(=O)N2CCCN(c3cccnn3)CC2)cc1 119047949 ZIBHNKVWVHWKOY-UHFFFAOYSA-N 365.437 1.721 0 50 FDAA CCOCc1ccccc1CNC(=O)CN(C)C1(CO)CCOCC1 241739098 QZYZTYGJZJYRJE-UHFFFAOYSA-N 350.459 1.313 0 50 FDAA O=C(CCc1ccc2c(c1)OCCO2)N1CCC[C@@H](N2CCNC2=O)C1 360149299 ODFZOPLYVRVDQJ-OAHLLOKOSA-N 359.426 1.407 0 50 FDAA Cc1nsc(N2CCCN(C(=O)c3ccc4[nH]c(=O)n(C)c4c3)CC2)n1 157841669 QSZVPUISWWNNHS-UHFFFAOYSA-N 372.454 1.379 0 50 FDAA Cc1ccc(CNC[C@@](C)(O)CN2CCOCC2)c(-c2cnn(C)c2)c1 374708339 YJIDBRDAQTZXQJ-HXUWFJFHSA-N 358.486 1.568 0 50 FDAA O=C(O)[C@@H]1C[C@@H]1CS(=O)(=O)N[C@H]1COc2ccc3ccccc3c2C1 2325801742 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366.483 1.603 0 50 FDAA Cc1ncc(Br)c(N2CCO[C@H](CN3CCOCC3)C2)n1 2325792680 DJNCWIQVOUDZDY-GFCCVEGCSA-N 357.252 1.085 0 50 FDAA COc1ccc2[nH]cc(C[C@@H]3NC(=O)[C@H]4COC5(CCC5)CN4C3=O)c2c1 2325809037 YLKOAWOOBTXZCY-DLBZAZTESA-N 369.421 1.368 0 50 FDAA CC(C)CO[C@@H](C)C(=O)N(C)[C@@H]1CCN(C(=O)c2nnn3ccccc23)C1 2325827903 UBPKBPNQNAMNEQ-LSDHHAIUSA-N 373.457 1.463 0 50 FDAA CCOC(=O)CNC(=S)Nc1sc(C(=O)OC)c(C)c1C(=O)OC 2855585 WUSAJLKHHJAIRG-UHFFFAOYSA-N 374.440 1.479 0 50 FDAA O=C(COc1ccccc1Cl)N1CCC2(CC1)C[C@@H](O)[C@@H](O)CO2 2356160433 RRBNYEFBEXRJTB-KGLIPLIRSA-N 355.818 1.222 0 50 FDAA Cn1nccc1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 6699360 OFIVQFBLJUVGMW-UHFFFAOYSA-N 374.875 1.282 0 50 FDAA Cn1c(=O)oc2cc(S(=O)(=O)CCC(=O)NC3CCCCC3)ccc21 7003062 CFHUVGXAUZIHND-UHFFFAOYSA-N 366.439 1.744 0 50 FDAA O=C(CCC(=O)N1C[C@H](O)[C@@H](N2CCCC2)C1)NC1CCCCCCC1 55413650 JOYDELPGFOQFST-ROUUACIJSA-N 365.518 1.663 0 50 FDAA O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)NC[C@H]1C[C@H]2C=C[C@H]1C2 101621538 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351.410 1.984 0 50 FDAA O=C1N(CCCc2ccccc2)CCC[C@]1(O)CNCC1CCOCC1 67803537 MZSJTOUPUVAKER-NRFANRHFSA-N 360.498 1.989 0 50 FDAA COc1cccc(C(=O)NCCC(=O)N2[C@H]3CC[C@@H]2CC(=O)N(C)C3)c1 67723150 HQZJPZMOLWQEMC-CABCVRRESA-N 359.426 1.037 0 50 FDAA CN1CCC(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)CC1 72115949 DWEBORIAOSFUHK-UHFFFAOYSA-N 353.488 1.443 0 50 FDAA CN(C(=O)[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccnn1C)c1ccn(C)n1 329108641 FRBRRJJJMPRGSR-GUYCJALGSA-N 356.430 1.259 0 50 FDAA CCOC(=O)COc1cc(C)c(C)cc1S(=O)(=O)N1CCOCC1 6668153 DKNNYSGKGLSTFX-UHFFFAOYSA-N 357.428 1.266 0 50 FDAA CC(=O)N1CCC2(CC1)C[C@H](C(=O)O)N(Cc1noc(C(C)(C)C)n1)C2 72439763 WDUYZOOVWPLJRK-CYBMUJFWSA-N 364.446 1.655 0 50 FDAA CC(C)c1cc(C(=O)N2CCO[C@H](C(=O)NC(C)(C)C)C2)nc2ncnn12 72475170 SAQQJDIYSPLPLF-AWEZNQCLSA-N 374.445 1.003 0 50 FDAA Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 72433655 OXFGOXCHZXFRSO-LBPRGKRZSA-N 367.409 1.197 0 50 FDAA O=C(NCc1ccc(-n2ccnc2)c(F)c1)C1CCS(=O)(=O)CC1 363346363 XDIMQEKUPFWWCJ-UHFFFAOYSA-N 351.403 1.452 0 50 FDAA Cn1ccnc(NC[C@@H]2CN(Cc3ccc4ncccc4c3)CCO2)c1=O 328644612 RXMIOHGKNGGPPO-QGZVFWFLSA-N 365.437 1.641 0 50 FDAA COc1ccccc1OCc1ccc(C(=O)N2CCO[C@@H](C(=O)O)C2)o1 485825856 VOUDNDZIXNFQJJ-MRXNPFEDSA-N 361.350 1.793 0 50 FDAA Cc1ccc2nc(C3CCN(C(=O)C[C@H]4NC(=O)NC4=O)CC3)[nH]c2c1 215159791 VOXYQPVVPPDBPG-CQSZACIVSA-N 355.398 1.175 0 50 FDAA CS(=O)(=O)N1CCc2nc(N)nc(NCc3ccsc3)c2CC1 72477602 JWXUNQJKGAKPIM-UHFFFAOYSA-N 353.473 1.093 0 50 FDAA COCCN1C[C@@]2(CCCN(C(=O)c3c[nH]c(C)cc3=O)C2)CCC1=O 77406310 VOISFKKWRSEZHG-LJQANCHMSA-N 361.442 1.175 0 50 FDAA Cn1cnc2c(C(=O)NC[C@@H]3C[C@H](F)CN3c3cccnn3)ccnc21 377309656 KDNGBUCXJJHXIU-RYUDHWBXSA-N 355.377 1.105 0 50 FDAA CC(=O)NC1CN(C(=O)[C@H]2Cc3ccccc3CN2C(=O)CC(C)C)C1 372772452 KSKPFAXXWLMALD-GOSISDBHSA-N 357.454 1.333 0 50 FDAA C[C@H](O)c1cn(C2CN(C(=O)Cc3cnn(-c4ccccc4)c3)C2)nn1 374822593 UINSDPJOHKARPE-ZDUSSCGKSA-N 352.398 1.143 0 50 FDAA CC(=O)Nc1cccc(S(=O)(=O)N2CCC[C@H](N3CCCC3=O)C2)c1 71764496 XOGZDQCWMBPVEK-HNNXBMFYSA-N 365.455 1.421 0 50 FDAA Cn1cc(N2CC[C@H](NC(=O)c3cc4ccccc4c(=O)n3C)C2)cn1 375762749 KTBMHFUHOHCBCP-AWEZNQCLSA-N 351.410 1.281 0 50 FDAA O=C(c1cccnc1)N1CCc2ncnc(NC[C@@H]3CCOC3)c2CC1 72430890 PKYJXVRCCPMFBC-AWEZNQCLSA-N 353.426 1.561 0 50 FDAA CCCN(CC)c1ccc(C(=O)N2CC(n3cc([C@@H](C)O)nn3)C2)cn1 378539876 JLMOKESZLCCSHC-CYBMUJFWSA-N 358.446 1.660 0 50 FDAA O=C(CNC(=O)c1cccc(F)c1)N[C@@H]1CN(c2ccc(F)cc2)C1=O 378626691 YDNHPNRWNHVGSI-OAHLLOKOSA-N 359.332 1.226 0 50 FDAA CCCCc1nc(CN2CCc3ccc(S(=O)(=O)NC)cc32)no1 127247973 LQEIAUDIPOXGDU-UHFFFAOYSA-N 350.444 1.883 0 50 FDAA CN1CCN(Cc2ccccc2OC2CCCC2)[C@H]2CS(=O)(=O)C[C@H]21 72424179 ZXXBWWFDKDFINA-MSOLQXFVSA-N 364.511 1.921 0 50 FDAA CN(Cc1nc2ccccc2s1)C(=O)[C@H]1CCc2nn(C)c(=O)n2C1 219483763 KCHPJXROGKHSOP-NSHDSACASA-N 357.439 1.413 0 50 FDAA Cc1nc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(CC(C)(C)C)C(=O)[C@H]24)O3)no1 77407389 AZCSAZPTBUNERY-XPVILTJLSA-N 374.441 1.165 0 50 FDAA CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](CNC)C2)cc1 237080959 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Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)c(C)c1 38771363 PUXMCCGGVJZPOK-CVEARBPZSA-N 367.515 1.999 0 50 FDAA Cc1ncc2c(c1CNC(=O)CN1CCOc3ccccc3C1)CCNC2 72476651 MDNDQTKXDJQUFY-UHFFFAOYSA-N 366.465 1.547 0 50 FDAA CN1CC[C@H]2OCCN(C(=O)c3ccc(CN4CCCC4=O)cc3)[C@H]2C1 285369582 VQVCQWKTEOPEMR-ZWKOTPCHSA-N 357.454 1.354 0 50 FDAA Cc1ccc(NC(=O)CCc2cc3n(n2)CCNC3)cc1N1CCCC1=O 72430544 MGXWQBPCKQJZPH-UHFFFAOYSA-N 367.453 1.993 0 50 FDAA NC(=O)c1cccc(C[C@H]2CCN(S(=O)(=O)N3CCCCCC3)C2)c1 72152223 PBCPSQAKHDBIJQ-MRXNPFEDSA-N 365.499 1.771 0 50 FDAA CC(=O)NCCOc1ccc(C(=O)N2CCC[C@@H](c3nccn3C)C2)cc1 82137359 GJUYDEZTVWEMQA-QGZVFWFLSA-N 370.453 1.955 0 50 FDAA Cc1cc(COc2ccccc2)oc1C(=O)NCc1c[nH]c(=O)[nH]c1=O 221282757 SNGQWDALFDGBIK-UHFFFAOYSA-N 355.350 1.474 0 50 FDAA COc1ccc([C@@H](CO)CNC(=O)NCc2ccc(C(=O)O)cc2)cc1 263329459 CBOZFVRSAKFKIN-MRXNPFEDSA-N 358.394 1.969 0 50 FDAA CC(=O)c1ccc(NC(=O)Cn2nc(-n3nc(C)cc3C)ccc2=O)cc1 40287497 GZNKDVBIBRZIOT-UHFFFAOYSA-N 365.393 1.887 0 50 FDAA CC(C)NC(=O)OC1CN(C(=O)c2ccc(=O)n(-c3ccccc3F)n2)C1 288137620 KHQYPWSDGDFNIZ-UHFFFAOYSA-N 374.372 1.331 0 50 FDAA O=C(c1ccccn1)[C@@H]1CCCN(C(=O)NCCN2CCCOC2=O)C1 426700053 OAFGLTHEJPFRHK-CQSZACIVSA-N 360.414 1.528 0 50 FDAA O=C(NC[C@H](c1cccnc1)N1CCOCC1)N1CCn2cccc2C1 426493150 IYCHMRSSEZPOLY-GOSISDBHSA-N 355.442 1.482 0 50 FDAA Cc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@@H]1N2C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]12O3 239347275 MPMGYYYSXBITBB-WVFBYMGVSA-N 353.374 1.826 0 50 FDAA biogenic O=C1CNc2ccc(C(=O)N3C[C@@H](C(=O)O)[C@H](c4cccnc4)C3)cc2N1 91434064 DMJHCTYGNUNICT-UONOGXRCSA-N 366.377 1.386 0 50 FDAA COc1ccc([C@@H]2CN(Cc3cnc(N(C)C)nc3)C[C@H]2NC(C)=O)cc1 91746279 WPUDFXFDPYEIQK-RBUKOAKNSA-N 369.469 1.655 0 50 FDAA O=C(Nc1ccnn1CC1CC1)N1CCCO[C@@H](CN2CCOCC2)C1 96162335 JZUHFCBDLAXVRP-INIZCTEOSA-N 363.462 1.248 0 50 FDAA CC(C)(C)N1C[C@@H](CNC(=O)N2CCN(c3cccnc3)CC2)CC1=O 426578558 HHGLDYIPFXKVJV-OAHLLOKOSA-N 359.474 1.560 0 50 FDAA COc1ccc(C)cc1S(=O)(=O)N[C@H]1CN(C(C)=O)C[C@@H]1C1CC1 92077725 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244788062 QINLKXIAKISFFE-UHFFFAOYSA-N 353.426 1.712 0 50 FDAA Cc1cc(C)n2nc(C(=O)N3CCC(N4CCSCC4)CC3)cc2n1 244701191 KBVJTKZIJGVFRS-UHFFFAOYSA-N 359.499 2.000 0 50 FDAA NS(=O)(=O)C[C@H]1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)C1 244715821 LCYYPPTUQRFFJA-LBPRGKRZSA-N 361.467 1.797 0 50 FDAA O=C(Nc1ccc2c(c1)COC2=O)NC1CCN(c2cnccn2)CC1 299801043 XGQWNBZPEGXXJP-UHFFFAOYSA-N 353.382 1.938 0 50 FDAA Cc1c(CN2CCn3nc(CNC(=O)C4CCCC4)cc3C2)cnn1C 299791119 CPOQNHBJDZZYMB-UHFFFAOYSA-N 356.474 1.747 0 50 FDAA COc1cccc(CC(=O)N[C@@H]2CCN(Cc3c(C)noc3C)C[C@H]2O)c1 299759262 DZBUBAAFTXJBPL-RTBURBONSA-N 373.453 1.594 0 50 FDAA COc1cccc([C@@H]2CCCCN2C(=O)NCCN(C)S(C)(=O)=O)c1 584897667 FUUWXGRTJLORJU-INIZCTEOSA-N 369.487 1.823 0 50 FDAA O=C(c1ccc(-n2cccc2)nc1)N1CCO[C@H](CN2CCOCC2)C1 870067711 VXMXOLFXHQYNBM-QGZVFWFLSA-N 356.426 1.046 0 50 FDAA Cc1cc(C(=O)NC[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2cnn(C)c2)on1 952852683 IJZBUJPEQHRSHF-PXAZEXFGSA-N 357.414 1.589 0 50 FDAA CO[C@@H]1CCN(Cc2cn(C)nc2C(=O)N2CCOc3ccccc32)C1 952888552 LGRYZMASNPMUPN-OAHLLOKOSA-N 356.426 1.680 0 50 FDAA CN(Cc1cnn2c1CNCC2)C(=O)[C@H]1CCCN1Cc1ccccn1 952890478 VAYRQGVELVSZOR-QGZVFWFLSA-N 354.458 1.004 0 50 FDAA COC(=O)[C@H](CNc1nc(N)nc(N)n1)Cc1cccc2ccccc12 1458177968 DARDYHKRCMZUPZ-ZDUSSCGKSA-N 352.398 1.633 0 50 FDAA COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)C1CCN(c2cc(O)ncn2)CC1 1875309936 VPGPTOXNFNEYRN-JSGCOSHPSA-N 362.430 1.199 0 50 FDAA O=C(c1ccc(N2CCC[C@@H](O)C2)cc1)N1CCc2nc(O)ccc2C1 1875322005 FLGVJNPYQFIGSI-QGZVFWFLSA-N 353.422 1.947 0 50 FDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](N[C@@H](C)c3ccc(F)cn3)C2)n1 1875397612 HFEXSHBDXMDOKO-DZGCQCFKSA-N 372.448 1.917 0 50 FDAA C=CC(=O)N(C)CC(=O)N1C[C@H](O)C[C@H]1c1ccc(Br)cc1 1875370163 DMRKTSVPEOTOFX-KGLIPLIRSA-N 367.243 1.728 0 50 FDAA CCO[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](C)N(c2ccnc3nc(C)nn23)CC1 1875407358 XTCCLLCGRSTCSB-VHDGCEQUSA-N 358.446 1.285 0 50 FDAA Cc1ccc(S(=O)(=O)N2CC(N(C)C[C@@H](C)N3CCOCC3)C2)cc1 952870101 UUVOGHVZDSCEQN-MRXNPFEDSA-N 367.515 1.020 0 50 FDAA COc1ncc(NC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@@H](C)C2)cc1C(N)=O 268531531 JACNJCXHVYGVQE-HUBLWGQQSA-N 364.446 1.261 0 50 FDAA CO[C@H]1COCC[C@@H]1NC(=O)C1CCN(C(=O)c2ccccc2C)CC1 1565529125 HSIADAWWNZIKQD-ROUUACIJSA-N 360.454 1.767 0 50 FDAA Cc1noc(C)c1CN1CC[C@H](NC(=O)c2cn3ccccc3n2)[C@@H](O)C1 1565513436 SEKYGZSMNCJQSC-RDJZCZTQSA-N 369.425 1.304 0 50 FDAA Cn1nc(C(F)(F)F)c2cc(C(=O)N[C@@H]3[C@H]4OCC[C@H]4[C@H]3N)sc21 1565510593 MATNJMSTRZEUGG-OIBQRHFYSA-N 360.361 1.498 0 50 FDAA CC1(C)CN(C(=O)[C@H](Cc2ccccc2)NC(N)=O)C[C@@]2(CCOC2)O1 280712460 XXEMEAPAPNBSPE-HNAYVOBHSA-N 361.442 1.063 0 50 FDAA Cc1ncc2c(n1)CCC[C@H]2NC(=O)CCc1nc(O)c2cnn(C)c2n1 1321879852 LTRVHUAMUOYNRG-CQSZACIVSA-N 367.413 1.294 0 50 FDAA CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cc(C)nc3c2cnn3C)C1 189112187 WYHVGBGKNPWGOX-SMDDNHRTSA-N 356.386 1.570 0 50 FDAA CS(=O)(=O)N1CCCC[C@@H]1CCNC(=O)/C=C/c1cc(CO)cs1 1506418914 UXQHSQYZTBHIJM-VBROQKIQSA-N 372.512 1.574 0 50 FDAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2csc3ccccc23)C[C@@H]1O 1529173789 PUWGFHGCYOLHGD-FZMZJTMJSA-N 368.480 1.226 0 50 FDAA CCCN1C[C@]2(C(=O)O)CN(c3noc(-c4ccccc4)n3)C[C@@H]2C1=O 222038098 ANSCRLFIYFDXFE-ACJLOTCBSA-N 356.382 1.496 0 50 FDAA CN(c1cncc(C(=O)N2CCOCC2)n1)[C@H](c1ccccn1)C1CC1 1529186342 XFTYWXNAVQZBBT-SFHVURJKSA-N 353.426 1.932 0 50 FDAA Cc1cc(C[C@@H]2CN(C(=O)COc3ccc(F)cc3F)C[C@@H]2O)n[nH]1 1529188745 BDNMRYGASYDVLY-ABAIWWIYSA-N 351.353 1.437 0 50 FDAA Cc1c[nH]ccc1=NCCNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C 1616070661 QHVRCROEOPBKFY-KSSFIOAISA-N 365.499 1.539 0 50 FDAA O=C(c1cn[nH]c1)N1C[C@H]2COC[C@@H]1CN(C1Cc3ccccc3C1)C2 1772701678 RGXMNNJJQNXRMM-LIRRHRJNSA-N 352.438 1.350 0 50 FDAA CC[C@H](C(=O)N1CCOCC1)N(c1cccc(Cl)c1)S(C)(=O)=O 13711885 UGBJKTCLIXLECJ-CQSZACIVSA-N 360.863 1.743 0 50 FDAA CN(Cc1ccon1)C[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O 15066340 ZERUGEVYCXKIBH-SFHVURJKSA-N 365.380 1.938 0 50 FDAA COC(=O)C1=CN(CC(=O)Nc2cccc(C)c2C)S(=O)(=O)N=C1C 169771871 LQLSQTZBILGQEN-UHFFFAOYSA-N 365.411 1.320 0 50 FDAA COC(=O)C1=CN(CC(=O)N(C)c2cccc(C)c2)S(=O)(=O)N=C1C 169771872 IRKJLRLJPHUXJF-UHFFFAOYSA-N 365.411 1.036 0 50 FDAA O=C(Cn1cnc2ccccc21)N[C@@H](Cc1ccccn1)[C@H]1C[C@H](O)C1 223446395 DDFLWVWNNBQRCC-LESCRADOSA-N 350.422 1.930 0 50 FDAA CCOC(=O)[C@@H]1[C@@H](C)C=C[C@H]2CN(S(=O)(=O)c3c(C)n[nH]c3C)C[C@H]21 1857695403 IKXSOWQEGNZZCJ-BSLXNSKLSA-N 367.471 1.648 0 50 FDAA Cc1nc(N[C@@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)c2cccnc2n1 1857715008 XFBMBMWQFJWXBR-ILXRZTDVSA-N 370.457 1.065 0 50 FDAA O=C(NCCc1noc(-c2ccccc2)n1)c1cn2c(n1)CCNCC2 1857726900 HPQBTXGZQWBJFU-UHFFFAOYSA-N 352.398 1.051 0 50 FDAA O=C(NC[C@H]1[C@H]2CN(c3ncccn3)C[C@]23CC[C@H]1O3)c1cncc(F)c1 1857736128 LVEQGEMUOOUREW-WFXMFSGNSA-N 369.400 1.425 0 50 FDAA Cc1noc(C)c1CN[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 112505958 LIIBTXRODXPYIA-MRXNPFEDSA-N 372.473 1.677 0 50 FDAA Cc1cccc(Cn2cccc(C(=O)Nc3ccc(C(N)=O)nc3)c2=O)c1 122738070 JOVIIKWTCMQXCD-UHFFFAOYSA-N 362.389 1.951 0 50 FDAA O=C1C[C@H](C(=O)N[C@H]2CCCN(c3cccnn3)C2)c2ccc(F)cc2N1 246846294 HHIVTYBHTCHVGW-ZFWWWQNUSA-N 369.400 1.827 0 50 FDAA Cc1ccccc1[C@H]1CN(CCCS(=O)(=O)N(C)C)C[C@@H]1C(=O)O 247968740 UAISPEKCRGDTGF-CVEARBPZSA-N 354.472 1.377 0 50 FDAA CCCn1cc(CN2CCCN(S(=O)(=O)N(CC)CC)CC2)cn1 153272371 WTCUMPZDDJOZOC-UHFFFAOYSA-N 357.524 1.387 0 50 FDAA O=C(NCCN1CCS(=O)(=O)CC1)C1(c2cccs2)CCCCC1 157110500 SEEROBXXHVRGSY-UHFFFAOYSA-N 370.540 1.797 0 50 FDAA c1cnc(N2CCCC2)c(O[C@@H]2CCN(c3nccn4cnnc34)C2)c1 377159825 UIMICWZHRMQOHT-CQSZACIVSA-N 351.414 1.777 0 50 FDAA CC[C@H](Sc1nccn1C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1060594 BHHANYBTWBTNPQ-LBPRGKRZSA-N 354.457 1.577 0 50 FDAA CC(C)C1=NO[C@@H](C(=O)N[C@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)C1 2325842560 AUYXJADLKQRFLY-BLLLJJGKSA-N 361.446 1.665 0 50 FDAA C[C@@H](CC(C)(C)C)C(=O)N[C@@H]1CCN(C(=O)c2cnc3n2CCOC3)C1 2325842709 GHNYHAANSAEFQD-UONOGXRCSA-N 362.474 1.816 0 50 FDAA NC(=O)[C@H]1CCC[C@H](C(=O)N=c2cc(-c3cccc4c3OCC4)[nH][nH]2)C1 2325848899 VLWQYPUIYBUERI-STQMWFEESA-N 354.410 1.664 0 50 FDAA 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CN(C[C@H]1Cc2ccccc2CN1C)C(=O)CCC(=O)Nc1nncs1 1506426287 FPKDLWUVKBMFSN-OAHLLOKOSA-N 373.482 1.772 0 50 FDAA COc1cccc([C@H]2CCN(C3CCN(S(C)(=O)=O)CC3)C[C@@H]2O)c1 210280849 HRHRBPUPRNTWKT-MSOLQXFVSA-N 368.499 1.269 0 50 FDAA O=C(CN1CCCCC1=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12 1529152840 ZHOLRCGVJGJEBM-VQIMIIECSA-N 367.449 1.921 0 50 FDAA CCC(=O)N1CCN(Cc2ccc(C)c(F)c2C)[C@@H]2CS(=O)(=O)C[C@@H]21 219494617 SCFIWSLAUNWPDZ-CVEARBPZSA-N 368.474 1.662 0 50 FDAA CN1CCC[C@]2(C(=O)O)CCN(C(=O)Cc3n[nH]c4ccccc34)C[C@@H]12 1704300672 UFWWYSNHKYRWLH-APWZRJJASA-N 356.426 1.503 0 50 FDAA CCCc1ccc(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1 1704300266 WUJLCZSDPQQXJB-HOTGVXAUSA-N 354.472 1.275 0 50 FDAA COc1ccc(S(=O)(=O)N2CCN3[C@H](COC[C@H]3C3CC3)C2)cc1 1616076226 KLFOJLZXCVERHK-YOEHRIQHSA-N 352.456 1.179 0 50 FDAA O=C(Cc1cccc(F)c1F)N1CCCN(C(=O)c2cnccn2)CC1 1772710771 OUKWGTQIOCNJDL-UHFFFAOYSA-N 360.364 1.672 0 50 FDAA Cc1ccc(CN2C[C@H]3COC[C@@H]2CN(C(=O)Cc2ccccn2)C3)nc1 1772701953 PUJWNULSCQUPLG-XLIONFOSSA-N 366.465 1.687 0 50 FDAA CC1(C)CNC(=O)C2(CCN(C(=O)c3ccc4c(c3)CCO4)CC2)NC1 1772804451 AKKHEXWNMWXXPS-UHFFFAOYSA-N 357.454 1.342 0 50 FDAA CCc1nccn1CCC(=O)N1CCCN(C(=O)Cc2cccnc2)CC1 1772713024 ZOPBTNWBOVFFLS-UHFFFAOYSA-N 369.469 1.534 0 50 FDAA Cc1ncsc1CCCNC(=O)c1cn(CCN2CCCCC2)nn1 11873642 AAYDGMHFHMGZLG-UHFFFAOYSA-N 362.503 1.892 0 50 FDAA CC(=O)NCCC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(-n2cccn2)c1 15062047 DEFXUVFWKFQMHR-QGZVFWFLSA-N 369.425 1.328 0 50 FDAA COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(C)cc1)CC2 19839923 AMQVDFKDUACMIB-INIZCTEOSA-N 371.485 1.859 0 50 FDAA CN1C(=O)C[C@](CC(=O)N2CCCC[C@@H]2CO)(c2cccc(F)c2)C1=O 200566067 REJMSXHCVQKEPK-BEFAXECRSA-N 362.401 1.216 0 50 FDAA CC(C)c1nnc(N2C[C@H](C(=O)NCCc3cccnc3)CC2=O)s1 1857701358 SQHOUNMGDDNZPB-CYBMUJFWSA-N 359.455 1.768 0 50 FDAA O=C(CN1CCOCC1)N1CCC2(CCc3c(O)nc(C4CC4)nc32)CC1 1857713174 ZLKNKFYKYGRYFB-UHFFFAOYSA-N 372.469 1.198 0 50 FDAA CCCc1nc(Cn2cnc3c(c2=O)CCN(S(C)(=O)=O)C3)cs1 328606906 TWYPPSRVKIABJR-UHFFFAOYSA-N 368.484 1.018 0 50 FDAA C[C@@H]1Cc2cc(S(=O)(=O)NCCc3ccn(C)n3)cc(Cl)c2O1 331682621 VAHLYOCWVVSGAD-SNVBAGLBSA-N 355.847 1.918 0 50 FDAA CS(=O)(=O)N[C@@H]1CCCC[C@@H]1N[C@H]1CCN(c2ccccc2)C1=O 252540570 PMZOHFPHDANUMC-XHSDSOJGSA-N 351.472 1.242 0 50 FDAA Cn1ccnc1CN(C(=O)c1ccc2c(c1)OCO2)[C@@H]1CC12CCNCC2 261904389 ZQBBAQLAKNRQHT-QGZVFWFLSA-N 368.437 1.933 0 50 FDAA Cc1nn(C)cc1CC(=O)N1CCO[C@@H](CO)[C@@H]1c1ccccc1Cl 2100539408 HJAXNPLJSZZBRM-WMZOPIPTSA-N 363.845 1.885 0 50 FDAA Cc1cc(O)c(-c2ccnc3nc(N4CCCCC4)[nH]c(=O)c23)c(=O)o1 100242348 WUMXHDAUHVXEDM-UHFFFAOYSA-N 354.366 1.943 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)N(C)Cc2ncc(Br)cn2)C1 2325889425 PQHAVTSHBQUIEK-NSHDSACASA-N 367.247 1.622 0 50 FDAA C[C@@H]1CN(C(=O)Cc2ccc(-n3cnnc3)cc2)CCN1c1ccncc1 881631018 PTHAYMJKHCGZRH-MRXNPFEDSA-N 362.437 1.942 0 50 FDAA COc1ccccc1CNC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 1172540 JRSMPVJSPWESKE-UHFFFAOYSA-N 366.414 1.917 0 50 FDAA N=c1nc(-c2ccccc2)c(C(=O)NC[C@@H](O)c2cccc(O)n2)c[nH]1 2356137422 XHVLWEXWXHGDCL-CQSZACIVSA-N 351.366 1.120 0 50 FDAA O=C1N[C@H](CC(=O)N2CCc3nc(C4CC4)nn3CC2)c2ccccc21 2356151674 SXJNECHPQFHMEI-OAHLLOKOSA-N 351.410 1.415 0 50 FDAA CCCNS(=O)(=O)c1ccc(NC(=O)C2CCN(C(C)=O)CC2)cc1 6731269 ZUWCDDFJTCEKLP-UHFFFAOYSA-N 367.471 1.572 0 50 FDAA COc1ccc(NC(=O)C2=CC(c3ccco3)=NS(=O)(=O)N2C)cc1 6800365 DTJNMEAYWLGEDE-UHFFFAOYSA-N 361.379 1.790 0 50 FDAA CN1C(=O)CCc2cc(CN3C[C@H](n4ccnn4)[C@H](N(C)C)C3)ccc21 859757852 PZGTXWWAARCLMW-MSOLQXFVSA-N 354.458 1.174 0 50 FDAA CCOC(=O)[C@@H]1C(=O)N=C(N2CCCCC2)N[C@@H]1c1ccc(OC)cc1 9184198 UKUWWHAOBPBYOY-JKSUJKDBSA-N 359.426 1.887 0 50 FDAA Cc1ccc(C)c(N([C@@H](C)C(=O)NC2CCN(C)CC2)S(C)(=O)=O)c1 65363704 IZPYFQRLDVLWGW-HNNXBMFYSA-N 367.515 1.668 0 50 FDAA COc1cccc(C(=O)N2CCN(CC(C)(C)N3CCOCC3)CC2)c1 67855224 QTCOEKTYXDYSEU-UHFFFAOYSA-N 361.486 1.564 0 50 FDAA CN(CC(=O)NCc1ccc2c(c1)CC(C)(C)O2)[C@@H]1CCS(=O)(=O)C1 65398889 ZLCPGRYHYCNUAZ-OAHLLOKOSA-N 366.483 1.135 0 50 FDAA O=C(NCc1nnc2n1CCCC2)c1cc(COc2ccccc2F)[nH]n1 67654650 MLZXCQOSQTWIEU-UHFFFAOYSA-N 370.388 1.986 0 50 FDAA Cc1ccc(C2(O)CCN(C(=O)c3cccc(OCC(N)=O)c3)CC2)nc1 67868562 ARQIFFIQAPFTQD-UHFFFAOYSA-N 369.421 1.378 0 50 FDAA CCc1nsc(N2CCCN(C(=O)[C@H]3NCCCC3(C)C)CC2)n1 423420731 BGFRVFKZFGKCGQ-CQSZACIVSA-N 351.520 1.917 0 50 FDAA CN1CCN([C@@H]2CCN(Cc3ccccc3OC(F)F)C[C@H]2O)CC1 23357970 XODUWJWAEULHME-HZPDHXFCSA-N 355.429 1.471 0 50 FDAA Cc1cc(=O)[nH]c(CCNC(=O)c2cc(COc3ccccc3)[nH]n2)n1 67694638 JYJCNPDSEOLHLL-UHFFFAOYSA-N 353.382 1.353 0 50 FDAA C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2ccnc(-n3cccn3)c2)C[C@@H](C)O1 119794387 LOELEHWJHSZPEW-NUJGCVRESA-N 369.469 1.981 0 50 FDAA OCc1nc2ccccc2n1-c1ccc([C@@H](O)CN2CCOCC2)cc1 65410515 FRGURKCHOLOEOH-IBGZPJMESA-N 353.422 1.883 0 50 FDAA CN(CCc1ccccn1)c1ncccc1CNC(=O)[C@H]1COCCO1 67435009 OGVBYKFWOKZQAN-QGZVFWFLSA-N 356.426 1.187 0 50 FDAA CCc1nc(Cn2nc(C3CCNCC3)n(Cc3ccccc3)c2=O)no1 67966460 MFBCOSMDDYLVIR-UHFFFAOYSA-N 368.441 1.554 0 50 FDAA C[C@@H]1CN(S(=O)(=O)CCNCc2ccc([C@@H]3C[C@H]3C)o2)C[C@@H](C)O1 252452318 BSZOQVAIRDVUKC-IXYNUQLISA-N 356.488 1.932 0 50 FDAA CCOc1ccc(S(=O)(=O)NC[C@@H]2CN(C3CC3)CCO2)c(C)c1 172389146 HSJKTOLEIAPHTM-MRXNPFEDSA-N 354.472 1.535 0 50 FDAA Cc1ncccc1CN1CCC[C@H](n2ncc(N3CCOCC3)cc2=O)C1 328608312 YQPNLLMPNZZQQU-SFHVURJKSA-N 369.469 1.620 0 50 FDAA CN(C)C(=O)CO[C@@H]1COCC[C@H]1NC(=O)c1ccc(F)c(Cl)c1 219470362 QLRNWFDEPPMROY-ZIAGYGMSSA-N 358.797 1.471 0 50 FDAA CC[C@H](C)Oc1ccc(CN2CCN(S(N)(=O)=O)CC2)cc1Cl 215675389 LZLCACIFRQHIDN-LBPRGKRZSA-N 361.895 1.838 0 50 FDAA CCN1C[C@@]2(C(=O)O)CN(Cc3cccn3-c3cccnc3)C[C@H]2C1=O 72419787 DBXWTRRIKSVOPZ-LPHOPBHVSA-N 354.410 1.237 0 50 FDAA CN(C)C(=O)[C@@H](c1ccccc1)n1ccnc1-c1cc2n(n1)CCNC2 72419819 IWNDLUIAPIAVRM-QGZVFWFLSA-N 350.426 1.527 0 50 FDAA C[C@]1(C(=O)O)CCN(C(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)C1 332141178 PUMXLFCJCMDBAF-GTNSWQLSSA-N 352.337 1.641 0 50 FDAA O=C(c1cnc(O)c(Br)c1)N1CCn2c(nnc2C2CC2)C1 329543126 FFNJQZRMIZUOEJ-UHFFFAOYSA-N 364.203 1.675 0 50 FDAA COC(C)(C)CNC(=O)C[C@H]1C(=O)NCCN1C/C=C/c1ccccc1 72167728 LANDCADJOVKETO-JEJOPICUSA-N 359.470 1.432 0 50 FDAA Nc1nc2c(c(NC3CC3)n1)CCN(C(=O)CCCn1ccnc1)CC2 72431792 PINCTBRUUKFYNI-UHFFFAOYSA-N 355.446 1.237 0 50 FDAA CC(=O)N(CC(=O)O)[C@H]1CCCN(C(=O)COC2CCCCC2)CC1 364640607 JEYMAGMNBQMQKL-HNNXBMFYSA-N 354.447 1.650 0 50 FDAA Cn1nc(C(=O)NC(C)(C)COc2ccc(C(F)(F)F)cn2)ccc1=O 154916461 ZUAFRNHLYQWSID-UHFFFAOYSA-N 370.331 1.782 0 50 FDAA CC(C)O[C@H]1C[C@H](NC(=O)N2CC(=O)N(CC(F)(F)F)C2)C1(C)C 332960024 DAQBPFLIVNZTNF-QWRGUYRKSA-N 351.369 1.952 0 50 FDAA Cc1nc[nH]c1CN1CCN(CCc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 72453910 WXYRYMGYFKVZCY-RBUKOAKNSA-N 374.510 1.244 0 50 FDAA CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](CNC)C2)c1 237083064 ZUAJSLPCWPIELW-ZDUSSCGKSA-N 360.501 1.100 0 50 FDAA c1cc(CN2CCN(CCn3cncn3)CC2)cc(Cn2cccn2)c1 77358044 YIWLOKQEVCFPPN-UHFFFAOYSA-N 351.458 1.341 0 50 FDAA CC[C@@H](OC)C(=O)N1CCc2c(nc(-c3cccnc3)nc2N(C)C)C1 71745386 FVCUCYUAHQHUBE-MRXNPFEDSA-N 355.442 1.914 0 50 FDAA COc1cc(N2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)ncn1 72473532 AYJHGQLREAOLRQ-KRWDZBQOSA-N 363.506 1.231 0 50 FDAA CN1C[C@@H](C(=O)NCC2(O)Cc3ccccc3C2)c2ccccc2C1=O 369481565 IKRRRPPVZLAUDF-GOSISDBHSA-N 350.418 1.502 0 50 FDAA CN1C[C@]2(CCCN(C(=O)c3ccc(-c4nnn(C)n4)cc3)CC2)OC1=O 72153125 JAJZHOZROJGZMS-GOSISDBHSA-N 370.413 1.324 0 50 FDAA Cc1sc2ncc(C(=O)N3CCC[C@@]4(CNC(=O)O4)C3)c(=O)n2c1C 72129214 UWCJDKUPUBWXOF-MRXNPFEDSA-N 362.411 1.087 0 50 FDAA COCc1nn(CC(=O)NCc2ccc(C)o2)c(=O)n1-c1ccccc1 77354425 OTAUPUSAPYPYTL-UHFFFAOYSA-N 356.382 1.398 0 50 FDAA O=C(NCCc1ccccc1)[C@@H]1CCCN(C2CCN(C(=O)CO)CC2)C1 71775712 AQVFOPFKQYECNC-GOSISDBHSA-N 373.497 1.041 0 50 FDAA C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@H]1c1cccs1 241338685 MDALPEDVXQVOEX-QWRGUYRKSA-N 362.455 1.136 0 50 FDAA COC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)N1CCCC[C@H]1C 241564222 OSJADYNMMZSQLB-CJNGLKHVSA-N 352.456 1.706 0 50 FDAA CCN1C[C@]2(CCCN(C(=O)CCn3c(C)cccc3=O)C2)CCC1=O 72473836 DXOTVWNXMQGEBT-FQEVSTJZSA-N 359.470 1.798 0 50 FDAA CNCCN1C(=O)CC[C@H]2CN(C(=O)NCc3ccc(C)cc3)CC[C@H]21 72429983 WJLBYNXUBZKIJQ-ZWKOTPCHSA-N 358.486 1.737 0 50 FDAA Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N(C)C[C@H]1CCOC1 177344589 PZRCFXJXJSHOQQ-CYBMUJFWSA-N 352.456 1.544 0 50 FDAA Cc1ccccc1[C@@]1(O)CCN(C(=O)Cc2cccc(OCCN)c2)C1 426602371 GKACWAVFDAOGTM-OAQYLSRUSA-N 354.450 1.995 0 50 FDAA CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)C1 178097189 ZDYPZCMUUAIWMD-TXNHMLTKSA-N 350.440 1.827 0 50 FDAA CCN=c1cc[nH]c(-c2ccc(C(=O)N3CCN(CCCO)CC3)cc2)n1 426669185 ZASRVJAUTHTLAI-UHFFFAOYSA-N 369.469 1.138 0 50 FDAA Cc1nc2ccccc2n1CC(=O)N[C@@H]1CCCN(c2cnccn2)C1 426651952 CLLYBGFEAQXHKY-OAHLLOKOSA-N 350.426 1.920 0 50 FDAA CCOCCn1nc(C)cc1C(=O)N1CCN(Cc2ncccc2C)CC1 82166876 CFICQXXQZQRSOD-UHFFFAOYSA-N 371.485 1.889 0 50 FDAA Cn1cnc(-c2cccc(NC(=O)N3CCOC4(CCOCC4)C3)c2)n1 161532832 HFMUCNUDFHCACC-UHFFFAOYSA-N 357.414 1.895 0 50 FDAA COc1ccc2c(c1)CCN(C(=O)Cn1ccc([C@H]3CCCNC3)n1)C2 426477279 VBSQMNGTBQENAJ-INIZCTEOSA-N 354.454 1.944 0 50 FDAA CCCS(=O)(=O)c1ncc(CN2CCSCC2)n1C[C@H]1CCCO1 20997339 BJUQHJARRNFWRY-OAHLLOKOSA-N 373.544 1.795 0 50 FDAA CCC1(CC)CN(c2cc([C@H]3CCOC3)nc(NCCO)n2)CCO1 426503544 QAGDVDQONNNVFS-AWEZNQCLSA-N 350.463 1.780 0 50 FDAA CN(C)C(=O)c1ccccc1-c1cccc(C(=O)NCCS(C)(=O)=O)c1 426478964 QAXNKNOJDXFYSC-UHFFFAOYSA-N 374.462 1.830 0 50 FDAA Cc1ccc(CNC(=O)N2CCCO[C@@H](CN3CCOCC3)C2)s1 426641581 SIXVHEWTARMBSA-HNNXBMFYSA-N 353.488 1.689 0 50 FDAA O=c1nc(CN[C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)[nH][nH]1 292453852 YFEKSPXRUOJVPW-PBHICJAKSA-N 370.384 1.778 0 50 FDAA Cc1cc(CNS(=O)(=O)c2cccc(C(=O)Nc3cccnc3)c2)n[nH]1 97642271 GJNDJWJIIQNVGG-UHFFFAOYSA-N 371.422 1.844 0 50 FDAA COc1ccc(N2C[C@H](C)N(S(=O)(=O)N3CCCC3)CC2=O)cc1 91965079 APLGTVPDCZWUKB-ZDUSSCGKSA-N 353.444 1.073 0 50 FDAA OCCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc(-n3ccnc3)cc1)CC2 91364850 CCFGWNRSHIMCCI-MOPGFXCFSA-N 357.454 1.597 0 50 FDAA Cc1cc(N2C[C@H](C3CC3)[C@@H](NC(=O)CN3CCCC3=O)C2)cc(C)n1 91551228 JTXWLIAPZCCIPO-MSOLQXFVSA-N 356.470 1.652 0 50 FDAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccc(Cn3cnnn3)cc1)C2 91350852 QHRVFKWATNBKRK-DLBZAZTESA-N 368.441 1.194 0 50 FDAA Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccc(N)nc1)C2 91651266 JGIUCFLQOSATJY-LSDHHAIUSA-N 369.425 1.532 0 50 FDAA COc1ccc(OC)c([C@H]2CCN(C(=O)CN(C)C3CCNCC3)C2)c1 91575277 VTGNXMGEZGHAFS-HNNXBMFYSA-N 361.486 1.704 0 50 FDAA O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@H]1CCCN2CCCC[C@@H]12 230203317 ICTWSXFMLFGJKR-PBHICJAKSA-N 370.453 1.071 0 50 FDAA biogenic COc1ccc2c(=O)n(CC(=O)N3C[C@@H]4CCCN[C@@H]4C3)ccc2c1OC 95519263 QCEGQXVIVKCMKH-XJKSGUPXSA-N 371.437 1.229 0 50 FDAA O=C(NCCS(=O)(=O)N1CCCC1)c1ccc([C@@H]2CCCNC2)cc1 95361873 FIMJHXYZBLVROC-QGZVFWFLSA-N 365.499 1.309 0 50 FDAA COCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@H](C)Cn2cncn2)c1 96137644 HLEVATRIQLNENS-SNVBAGLBSA-N 366.809 1.727 0 50 FDAA COc1cncc([C@H](NC(=O)CCc2csc(N)n2)[C@H]2C[C@@H](O)C2)c1 244899648 ZNJDYXYRZHSYEB-AKWBHNSASA-N 362.455 1.690 0 50 FDAA Cc1cc(N2CCN(C(=O)[C@@H]3CCCCN3C(=O)C3CC3)CC2)ccn1 244742283 OEUWGXWGIKZRDW-SFHVURJKSA-N 356.470 1.830 0 50 FDAA CNC(=O)[C@H]1CC[C@H](CNc2cc(C3CC(N)C3)nc(COC)n2)CC1 244734276 NCNSYHVAEREYSG-RBAFREBBSA-N 361.490 1.792 0 50 FDAA COC(=O)c1cn(-c2cc(OC)c(OC)c(OC)c2)cc2c(=O)[nH]nc1-2 253406884 JJVJPLAKZFSURW-UHFFFAOYSA-N 359.338 1.478 0 50 FDAA CC(C)Nc1ncc(C(=O)N[C@@H](Cc2ccccn2)[C@H]2C[C@H](O)C2)cn1 252550001 RYYDGKIDSFQHCM-JQFCIGGWSA-N 355.442 1.804 0 50 FDAA CSCC[C@@H](CO)NC(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O 252480087 BUMVTAYWYCIKNM-HOCLYGCPSA-N 350.484 1.897 0 50 FDAA COc1ccc([C@H](NC(=O)CCCN2CCOCC2)[C@H]2C[C@@H](O)C2)cn1 252537028 KERBLEHTDQRSEG-FCEWJHQRSA-N 363.458 1.131 0 50 FDAA CC[C@@H](COC)NC(=O)c1ccc(-c2cnc3c(C(N)=O)cnn3c2)cc1 534653781 PVIGEXJTRYFMPZ-HNNXBMFYSA-N 367.409 1.650 0 50 FDAA CN(CCC(=O)NCc1ccc2c(c1)CCCC2)[C@@H]1CCS(=O)(=O)C1 299762756 XOGNJWXEPZTGGZ-GOSISDBHSA-N 364.511 1.691 0 50 FDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@@H](C)n2cccn2)cc1 827654564 SJXSXPWUDLGYLA-CQSZACIVSA-N 350.444 1.237 0 50 FDAA NS(=O)(=O)CCCC(=O)NC[C@H](c1ccccc1)N1CCCCCC1 827815959 DYKBWSJEJIRVTA-QGZVFWFLSA-N 367.515 1.789 0 50 FDAA COc1ccccc1C(=O)N1CCN(C(=O)NCCC(C)(C)OC)CC1 584897135 KYGHOHDRERPBPZ-UHFFFAOYSA-N 363.458 1.978 0 50 FDAA O=C(NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)c1c(O)cccc1O 670443799 MRWHOYWNRPPMNG-CCHVVGMOSA-N 355.398 1.562 0 50 FDAA COc1ccc(C(=O)N2C[C@H](c3n[nH]c(C(C)C)n3)[C@@H](C3CC3)C2)nn1 952848241 DEDAVPWJWSOEMC-OLZOCXBDSA-N 356.430 1.993 0 50 FDAA C[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)CC1 875242851 BTVFQLDWDVFRFY-SJORKVTESA-N 364.534 1.310 0 50 FDAA CCn1cc2c(n1)[C@@H](O)CC1(CCN(C(=O)C3(CCOC)CC3)CC1)O2 1875394423 ILGHPCWPHGKLHQ-AWEZNQCLSA-N 363.458 1.897 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)N[C@H]2COc3c(OC)cccc3C2=O)C1 1875379547 VTRCRBVSHCXZSX-JSGCOSHPSA-N 358.394 1.180 0 50 FDAA Cn1cccc1C(=O)N1C[C@@H]2CN(C(=O)c3ccc(CO)cc3)C[C@@H]2C1 1875360562 ILKBOHPRUCWHGO-CALCHBBNSA-N 353.422 1.362 0 50 FDAA COCC1(C(=O)N2CCN(C(=O)c3cc4ccccc4o3)CC2)COC1 1875331057 NPQHPCKMXLGIGC-UHFFFAOYSA-N 358.394 1.380 0 50 FDAA Cn1nccc1C1(O)CN(S(=O)(=O)c2cc3cc(F)ccc3o2)C1 1875396929 XPWSCMBUPJWTNT-UHFFFAOYSA-N 351.359 1.198 0 50 FDAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1ccc2c(=O)ccoc2c1 1875400700 IZWBDKWHJGKFJJ-XGWLTEMNSA-N 353.378 1.559 0 50 FDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2cnc3ccc(C)cn3c2=O)C1 888077678 OULAEQNCKFMTLZ-TZMCWYRMSA-N 353.382 1.328 0 50 FDAA CS(=O)(=O)[C@H]1CCCN(C(=O)Nc2ccc(N3CCCC3)nc2)C1 274114244 ZARRULVFWVLTLL-AWEZNQCLSA-N 352.460 1.723 0 50 FDAA CN(C)C(=O)[C@H](N[C@@H]1CCCN(c2nccn(C)c2=O)C1)c1ccccc1 275477564 IENRALDDMVHTSK-IAGOWNOFSA-N 369.469 1.168 0 50 FDAA Cc1csc([C@H](C)NC(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)n1 170644771 GWMVHIZZHXJWQE-NWDGAFQWSA-N 362.459 1.741 0 50 FDAA COC[C@@H]1CCCN(S(=O)(=O)NCc2nc(O)c3ccccc3n2)C1 1506398677 WKHURWFFWIHDEA-GFCCVEGCSA-N 366.443 1.028 0 50 FDAA CCN(Cc1noc(C2CC2)n1)S(=O)(=O)N1CCC[C@@H](COC)C1 1506400212 BPSCFHYGDNLLTP-GFCCVEGCSA-N 358.464 1.372 0 50 FDAA CCc1ccccc1C(=O)N1CCCN(C(=O)c2cncc(=O)[nH]2)CC1 1529172897 KBUVAYUIJCOADV-UHFFFAOYSA-N 354.410 1.321 0 50 FDAA COc1ccc(-c2ccc(C(=O)N3C[C@H]4COC[C@@H](C3)C(=O)N4C)o2)cc1 1704316050 JGHGUNKMIXYIIJ-CABCVRRESA-N 370.405 1.884 0 50 FDAA CCOc1ccc(C(=O)N2C[C@@H](O)[C@H](Cc3cnccn3)C2)cc1OCC 1704355019 OLZBJKGXNMWEJU-NVXWUHKLSA-N 371.437 1.950 0 50 FDAA CN1CCC[C@]2(C(=O)O)CCN(C(=O)c3cccc4c3OCCO4)C[C@@H]12 1704297773 DWAVIFKMGOZUTI-BEFAXECRSA-N 360.410 1.469 0 50 FDAA CCn1ccnc1CN1CC[C@H]2[C@H](CCC(=O)N2CC2CCNCC2)C1 215174673 UNLKMLSXPXEERC-MSOLQXFVSA-N 359.518 1.716 0 50 FDAA COc1cc2nc(N3CC[C@@]4(CNC(=O)CO4)C3)cc(C)c2cc1OC 1772811938 BYVWVYROZXQQNV-LJQANCHMSA-N 357.410 1.656 0 50 FDAA C[C@@]12C=C[C@@](C3OCCO3)(O1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 5101645 AFUTYJFLORCQMP-COCCGSRQSA-N 361.781 1.916 0 50 FDAA CCN1C[C@H](CN(C)c2nc3nonc3nc2N2CCCCCC2)CC1=O 11712202 WJSTZOOEOQCWPH-ZDUSSCGKSA-N 373.461 1.698 0 50 FDAA COC(=O)CCC(=O)NC(=S)Nc1ccc(C(=O)N2CCCC2)cc1 12404421 RUVRNBLSPVUVHB-UHFFFAOYSA-N 363.439 1.689 0 50 FDAA CCC[C@@H]1NC(=O)[C@H]2CN(C(=O)c3cc(F)c(F)cc3F)CCN2C1=O 14541250 ABFPPMCAQSKEQH-UONOGXRCSA-N 369.343 1.055 0 50 FDAA CCOC(=O)N1CCC(NCc2cccnc2N2CCC[C@H](O)C2)CC1 14977115 DGOCDQXDMUYPDH-KRWDZBQOSA-N 362.474 1.753 0 50 FDAA O=C(CN1C(=O)N[C@@H](c2ccccc2)C2=C1COC2=O)NC1CCCC1 169749904 YYWORGHYDCKGHM-KRWDZBQOSA-N 355.394 1.623 0 50 FDAA CN(C)C[C@H]1[C@H]2CN(S(=O)(=O)c3ccc(F)cc3F)C[C@]23CC[C@H]1O3 1857712385 XVPNQITUUOFNCL-TZDHZFECSA-N 372.437 1.695 0 50 FDAA COCC(COC)N1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 412557727 WDZCBNFRKMUVRQ-UHFFFAOYSA-N 356.850 1.768 0 50 FDAA C[C@H](C(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 333511064 LZYVUELSCMNBJV-NLZALYJZSA-N 372.465 1.432 0 50 FDAA C[C@@]1(CNS(=O)(=O)C[C@H]2CCOC2)CCCN1Cc1ccccc1 249200644 CYAHESIQTKTAFX-ROUUACIJSA-N 352.500 1.997 0 50 FDAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccc3ncsc3c1)C2 1704312441 RYZFWJNAHIYYOR-AAEUAGOBSA-N 361.423 1.154 0 50 FDAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccc3cccc(F)c3n1)C2 1704313374 OTSQWSUJRRVEQJ-JSGCOSHPSA-N 373.384 1.231 0 50 FDAA Cn1nnnc1[C@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CCO1 2100534345 DPPZDXQHIXZTAB-CQSZACIVSA-N 361.833 1.885 0 50 FDAA CC1(C)CC(N)(C(=O)N2CCn3c(Cc4cccc(F)c4)nnc3C2)C1 2325768868 ZVVMAEVDBNFTSP-UHFFFAOYSA-N 357.433 1.868 0 50 FDAA CN1CCN(Cc2cccc(-c3cc(S(=O)(=O)N(C)C)ccn3)c2)CC1 2325776869 HJTBAUICKIIPLM-UHFFFAOYSA-N 374.510 1.746 0 50 FDAA Cc1nccn1C[C@@H]1CCCN1C(=O)c1ccc2ncn(C)c(=O)c2c1 2325780847 TWPMIQMTLQQBFM-HNNXBMFYSA-N 351.410 1.743 0 50 FDAA CN(C)c1cccc2sc(C(=O)NCc3nnc4n3CCNC4)cc12 2325808431 ZLIUAUROCJVHRB-UHFFFAOYSA-N 356.455 1.592 0 50 FDAA C[C@H](C(=O)N1CC=C(CNC(=O)[C@@H](C)C(F)(F)F)CC1)n1ccnc1 2325879754 GPKJKQJQYUVVSK-VXGBXAGGSA-N 358.364 1.917 0 50 FDAA O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1ccccc1Cl 802788 ZPLCXYOFEIXGKG-UHFFFAOYSA-N 364.810 1.801 0 50 FDAA COC(=O)COc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1Cl 810069 ARAGXCNZWNTBCU-SNVBAGLBSA-N 363.819 1.349 0 50 FDAA COC(=O)CCC(=O)Nc1ccc(C)cc1OC(=O)CCC(=O)OC 833022 LRTYZRAQDQIJHN-UHFFFAOYSA-N 351.355 1.745 0 50 FDAA O=C(CCS(=O)(=O)c1ccccc1)N1CCC[C@]12CCCNC2=O 2356143607 PHXMJDQBNWRESI-KRWDZBQOSA-N 350.440 1.122 0 50 FDAA Cc1cc(C(F)(F)F)n2nc(C(=O)N3C[C@H]4COC[C@@]4(CO)C3)cc2n1 2356166422 XEATUFQHSNZGED-BONVTDFDSA-N 370.331 1.137 0 50 FDAA COc1cc([C@@H]2[C@@H]3[C@H](C)N(C)C(=O)N(C)[C@@H]3N(C)C(=O)N2C)ccc1O 4029455 DBLJYIVEHBFBMD-MZORAGNBSA-N 362.430 1.767 0 50 FDAA biogenic COc1ccc(S(=O)(=O)NCCN(C)C)cc1C(=O)N1CCCCC1 10111657 PYQWXNHQHRYIFF-UHFFFAOYSA-N 369.487 1.161 0 50 FDAA CCOc1cc2c(cc1CNC(=O)N[C@@H]1CCc3ncnn3C1)O[C@H](C)C2 112741086 GAHUOZHBPQEVJV-IUODEOHRSA-N 371.441 1.814 0 50 FDAA O=C(O)CN1CCC(NC(=O)CCC(=O)NC2CCCCCC2)CC1 55211870 PTSSWLZTQKYRPV-UHFFFAOYSA-N 353.463 1.271 0 50 FDAA C[C@H](N[C@H](C)c1nc(C(C)(C)C)no1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 248598708 NFSXCRJTTOBDLR-WOPDTQHZSA-N 372.491 1.052 0 50 FDAA C[C@H](CN1CCOCC1)NC(=O)CCSc1ccc2c(c1)OCCO2 65535708 CTAHDXZGTOCHFI-CQSZACIVSA-N 366.483 1.777 0 50 FDAA O=C([C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)N1CCN2C(=O)NC[C@H]2C1 230224048 JXJAHWRJYAARHY-FPMFFAJLSA-N 369.343 1.925 0 50 FDAA C[C@@H]1Cc2cc(NC(=O)Cn3ncc(N4CCOCC4)cc3=O)ccc2O1 23431746 LACOHADQXRAVAF-CYBMUJFWSA-N 370.409 1.042 0 50 FDAA Cc1ccc(/C=C/S(=O)(=O)N[C@@H]2CCCN(c3ccnn3C)C2=O)cc1 328609920 GDHMELOMHXYVBV-QSOAKEGCSA-N 374.466 1.814 0 50 FDAA CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)c2cccn2C(C)C)cn1 328644822 ZKIGIFOGBBIGDS-INIZCTEOSA-N 364.471 1.897 0 50 FDAA CC(C)[C@@H]1OCCC[C@@H]1Nc1ccnc(N2CCC[C@H](n3cncn3)C2)n1 328637744 OTVVCXPBDGGDQP-BQFCYCMXSA-N 371.489 2.525 0 50 FDAA CN(Cc1csc(-c2ccccc2)n1)C(=O)C[C@H]1C(=O)NCCN1C 11843381 RRZZNECADFZTRD-HNNXBMFYSA-N 358.467 1.589 0 50 FDAA O=C(N[C@H](CO)c1ccsc1)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 332845067 NHNCGQGGXFUWAZ-HRCADAONSA-N 364.467 1.339 0 50 FDAA Cc1ccc(-c2nnn[nH]2)cc1NC(=O)CCc1cc2n(n1)CCCNC2 72479638 AOWGHSANGFMVEM-UHFFFAOYSA-N 366.429 1.436 0 50 FDAA Cc1cc(C)n(CCNC(=O)[C@@H](C)c2n[nH]c(=O)c3ccccc23)c(=O)n1 215946750 SKQAQDSYKTWHTI-ZDUSSCGKSA-N 367.409 1.017 0 50 FDAA CCc1nnc(CNC(=O)Cn2nc(C)n(Cc3ccccc3)c2=O)s1 77344277 MTERTNGYMMNVDK-UHFFFAOYSA-N 372.454 1.132 0 50 FDAA Cc1cccc(N2C[C@H](C(=O)N3CC[S@@](=O)C[C@@H](C)C3)CC2=O)c1C 330336718 SRGMXGJDKRVLDF-DXRUEXFKSA-N 362.495 1.883 0 50 FDAA C[C@@H]1CC(=O)c2cc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]c2C1 71384783 QGGHQHDWPNIGNE-JTQLQIEISA-N 354.362 1.799 0 50 FDAA O=C(NCCN1CCCS1(=O)=O)N[C@@H]1C[C@H]1c1c(F)cccc1F 437650751 BXXURWLENWPFHK-ZWNOBZJWSA-N 359.398 1.155 0 50 FDAA O=C(CCNC(=O)c1cn(CC[C@@H]2CCCCN2)nn1)Nc1ccccc1 77437682 OUIVFGPYZOAPKW-HNNXBMFYSA-N 370.457 1.569 0 50 FDAA COC(=O)c1cc(OC)cc(C(=O)N2CCC[C@](O)(CN(C)C)C2)c1 72142153 NZOXQALYKPZRQI-SFHVURJKSA-N 350.415 1.011 0 50 FDAA COc1cncc(S(=O)(=O)N2CCOC[C@H]2[C@@H]2CCCCC2=O)c1 282435874 BOEWPIIGWYFQIS-GJZGRUSLSA-N 354.428 1.239 0 50 FDAA C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)C(C)(C)N1CCOCC1 253419430 MZBNBFDEUFKRHS-KBPBESRZSA-N 355.479 1.611 0 50 FDAA Cc1cn(C)nc1C(=O)N1CC(C)(C)N(C(=O)c2nn(C)cc2C)C[C@@H]1C 332089647 LLVXRYQJXHFNAA-AWEZNQCLSA-N 372.473 1.536 0 50 FDAA O=C1NCCCC[C@H]1NC(=O)C1(c2ccc(F)cc2F)CCOCC1 120220818 VEUCKKIJEVNUMS-OAHLLOKOSA-N 352.381 1.798 0 50 FDAA COc1cc(OC)c(CN2CCN[C@H](C(=O)N3CCCC3)C2)c(OC)c1 72152552 RQUYAZJMLNTREO-INIZCTEOSA-N 363.458 1.109 0 50 FDAA C[C@@H](O)[C@@H]1CN(C(=O)c2cnnn2-c2c(Cl)cccc2Cl)CCO1 334026022 HIYRBGGEAACGHW-RNCFNFMXSA-N 371.224 1.796 0 50 FDAA O=C(N1CCC[C@H](Cn2cncn2)C1)C1(c2ccccc2)CCNCC1 237904699 ZMPLGMPIWSVAMB-KRWDZBQOSA-N 353.470 1.838 0 50 FDAA CCN(CC)C(=O)[C@H]1CCCN(C(=O)CCc2cc3n(n2)CCNC3)C1 72418672 IDYZFRXDXNVMQH-HNNXBMFYSA-N 361.490 1.026 0 50 FDAA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]([C@H](C)O)C1 129563788 NYIRZWSFMSZZBQ-ZUEVXXBESA-N 357.454 1.835 0 50 FDAA CCc1nc(CCNS(=O)(=O)c2cnn(C3CCOCC3)c2)cs1 132936018 GUPXEYBJMMCKSD-UHFFFAOYSA-N 370.500 1.775 0 50 FDAA CCCCc1nn(CC(=O)N[C@@H](C(=O)NC)c2ccccc2)c(=O)n1CC 77388583 WYYAJHMORVZWHE-QGZVFWFLSA-N 373.457 1.011 0 50 FDAA Cc1oc(C(=O)NC[C@H]2CCCNC2)cc1S(=O)(=O)N1CCCC1 129822790 OTPAKSSGMFEMMY-ZDUSSCGKSA-N 355.460 1.102 0 50 FDAA Cn1ccnc1[C@H]1CNCCN1C(=O)Cc1cnn(-c2ccccc2)c1 261814151 XDPFAGKPECWMOD-QGZVFWFLSA-N 350.426 1.321 0 50 FDAA O=C(CSc1ccncc1)NC[C@@H](c1cccnc1)N1CCOCC1 216289052 UGPJMJRPAAGAMP-KRWDZBQOSA-N 358.467 1.758 0 50 FDAA CCN(Cc1nc(C)no1)C(=O)C[C@H]1COCCN1C(=O)c1ccco1 72158897 ZEEIJKOLVYWPAW-ZDUSSCGKSA-N 362.386 1.251 0 50 FDAA Cc1ccc(CN2CCN(C(=O)CCN3CCCN(C)CC3)CC2=O)cc1 77471670 DYAUBMFWWHHTHI-UHFFFAOYSA-N 372.513 1.193 0 50 FDAA O=C(O)c1cc(S(=O)(=O)N2CCN3CCOc4cccc2c43)cs1 374281311 ANCLWWRFPYPHAX-UHFFFAOYSA-N 366.420 1.854 0 50 FDAA Cn1c(CN2CCCC2)nnc1C1CCN(C(=O)N2CCOCC2)CC1 77538215 ZYNRGJYSGCDPOM-UHFFFAOYSA-N 362.478 1.043 0 50 FDAA O=C1CC[C@]2(CCCN(c3cc(N4CCOCC4)ncn3)C2)CN1C1CC1 77428860 GAKGMMBWROUSQK-FQEVSTJZSA-N 371.485 1.685 0 50 FDAA CN(C(=O)[C@@H]1CC12CCN(c1cc(=O)n3ccccc3n1)CC2)C1CC1 374977253 HUTZZKUTUJROAF-HNNXBMFYSA-N 352.438 1.922 0 50 FDAA Cc1cc(C)cc(CCC(=O)N2C[C@H](c3cnn(C)c3)[C@@H](C(N)=O)C2)c1 284639691 RIFBRUZNPSQBSV-MSOLQXFVSA-N 354.454 1.697 0 50 FDAA CS(=O)(=O)c1cnc(NCCN2CCCCC2)nc1[C@@H]1CCCNC1 72472917 BNUXBWPWJFAWQJ-CQSZACIVSA-N 367.519 1.245 0 50 FDAA 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FDAA COc1ccc(C)nc1N1CCCN(S(=O)(=O)N2CCCC2)CC1 1857679997 DMLWSEZFZZLDDH-UHFFFAOYSA-N 354.476 1.251 0 50 FDAA Cn1cc(CCN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)/C=C/c2ccccc2)cn1 1857693887 QQYYVSGNMFKUFO-PXEQJPNCSA-N 364.449 1.878 0 50 FDAA COC[C@@H]1CCCN1S(=O)(=O)N1CCc2[nH]nc(C3CC3)c2CC1 1857695479 LCURBXKKKZRRKG-ZDUSSCGKSA-N 354.476 1.043 0 50 FDAA O=C(C[C@H]1CCCN(c2nc3ncccc3o2)C1)NCCN1CCOCC1 1857695681 UGSNLSJYSLCKQI-OAHLLOKOSA-N 373.457 1.278 0 50 FDAA N[C@@H]1C[C@H](C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)C[C@H]1O 1857720780 KCIARLSLZBZAFX-CYZMBNFOSA-N 350.806 1.147 0 50 FDAA Cc1c(C(=O)N2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)nc2ccccn12 1857728435 BHPPOVZWNUFYJV-MDOVXXIYSA-N 368.437 1.841 0 50 FDAA Cn1cccc(CN2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)c1=O 1857739914 YSQUTCRMOKOKQE-UEXGIBASSA-N 365.433 1.660 0 50 FDAA Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)NCc1ccnn1C 913902310 RXWSGDVSBXUHLI-UHFFFAOYSA-N 359.455 1.760 0 50 FDAA CCc1cc(CN2CCC[C@]3(CO)CCN(Cc4nccn4C)C[C@@H]23)on1 1704328948 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O=C1CN(S(=O)(=O)c2ccc3nc(O)ccc3c2)[C@@H]2CCCC[C@H]2N1 268264819 NGXQWDLUIHWMDK-HUUCEWRRSA-N 361.423 1.372 0 50 FDAA CSCCN1CCN(C(=O)COCc2nc3cc(F)ccc3[nH]2)CC1 299757108 HVEHWRZAOLVMEW-UHFFFAOYSA-N 366.462 1.726 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2c(CC)noc2C)CN1CC=C(C)C 91586445 VBNBOVDCMJETEX-HOCLYGCPSA-N 362.474 1.820 0 50 FDAA O=C(NCCN1CCCOC1=O)[C@H]1CCCCN1C(=O)c1ccccc1 299798704 UFWDWWXCNMCECE-MRXNPFEDSA-N 359.426 1.640 0 50 FDAA CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1OCCCN 299776711 KQWANRYCHZFFRQ-AWEZNQCLSA-N 353.850 1.808 0 50 FDAA NS(=O)(=O)C[C@H]1CCN(C(=O)c2csc(Cc3ccccc3)n2)C1 299802514 YCLXZOVTNJSZMD-ZDUSSCGKSA-N 365.480 1.485 0 50 FDAA COC[C@H]1CCCN(S(=O)(=O)NCC2CCN(C3CCCC3)CC2)C1 824370303 ZALPLJDERVFGMV-KRWDZBQOSA-N 373.563 1.834 0 50 FDAA Cc1nn(C)c(C)c1CCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 827978615 PJXWZXGTFFAFCT-CVEARBPZSA-N 354.454 1.777 0 50 FDAA COc1ccc([C@@H](CC(=O)NCCO)c2cc3c(cc2O)OCO3)cc1 828765266 OLIBJFPXASSRGP-CQSZACIVSA-N 359.378 1.760 0 50 FDAA biogenic 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CC(=O)Nc1ncc(S(=O)(=O)N2CCN(c3ccccc3)CC2)s1 12379790 BJKATKGHFIMCFC-UHFFFAOYSA-N 366.468 1.612 0 50 FDAA CCN1C[C@H](CNc2nc3nonc3nc2N2CCCCCC2)CC1=O 12473170 XMHUPJYZHKFYEP-LBPRGKRZSA-N 359.434 1.674 0 50 FDAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)cc1 19868923 VPTGBAXXZLJUTH-UHFFFAOYSA-N 365.499 1.170 0 50 FDAA COc1ccc(OCC2CCN(C(=O)[C@H]3CC[C@@H](N)[C@H](O)C3)CC2)cc1 1857715898 NGEIBVYPZJLLQY-KFKAGJAMSA-N 362.470 1.801 0 50 FDAA COc1cc(F)c(C(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c(F)c1 1857738917 DUWCAIQMDVLGCL-DYVFJYSZSA-N 352.337 1.537 0 50 FDAA CO[C@@H]1CC[C@H](C(=O)NC2CCOCC2)C[C@H]1NC(=O)c1cc[nH]c1C 1875250242 ICQDYUTZGRXYEB-IAOVAPTHSA-N 363.458 1.532 0 50 FDAA CNC(=O)c1ccc(S(=O)(=O)N(C)C[C@@H]2CCc3nccn3C2)cc1 328645970 ZWONVXPEXPVZIJ-ZDUSSCGKSA-N 362.455 1.126 0 50 FDAA CN1CCO[C@H](C(=O)N(CCO)Cc2cccc(Br)c2)C1 331151843 OMQVOBVHPMVJJD-AWEZNQCLSA-N 357.248 1.101 0 50 FDAA O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCC(O)(C(=O)O)CC1 262482938 KRHXABWUSHBLJD-LLVKDONJSA-N 366.801 1.131 0 50 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CC(=O)c1c(C)nn(CC(=O)NCc2nc(C)c3c(n2)CCCC3)c1C 67818092 YAHOLVAOYJSTQO-UHFFFAOYSA-N 355.442 1.996 0 50 FDAA O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCCC[C@@H]1c1ccccn1 216486433 XMOIQCHRKAQSPW-MRXNPFEDSA-N 350.378 1.979 0 50 FDAA COc1ccc(N(C)C(=O)CS(=O)(=O)NC2CCC(C)CC2)cn1 330545337 URLPAGFFZUPXOC-UHFFFAOYSA-N 355.460 1.551 0 50 FDAA C[C@@H]1CCCN(CCOc2ccc(CN3CCN(C(N)=O)CC3)cc2)C1 216409664 XDJOJIPIELFFHN-QGZVFWFLSA-N 360.502 1.994 0 50 FDAA COCc1nc2ncc3c(=O)n(-c4cc(OC)cc(OC)c4)ccc3n2n1 71375386 BUCWJQLRTNDBPY-UHFFFAOYSA-N 367.365 1.592 0 50 FDAA O=S(=O)(c1cccc2c1OCC2)N1CCC(n2ncc3c2CNC3)CC1 333613382 SIZZUBQRWPFLML-UHFFFAOYSA-N 374.466 1.447 0 50 FDAA O=C(CC[C@@H]1NC(=O)NC1=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 363630716 YOMQXHYVOKABOW-RISCZKNCSA-N 364.833 1.271 0 50 FDAA Cc1c(C(=O)N2Cc3ccccc3N(C)C[C@H]2C)nnn1C1CCNCC1 237499493 JQVHEPXHJAHPPH-CQSZACIVSA-N 368.485 1.992 0 50 FDAA CCc1cc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n2nc(C)c(C)c2n1 72477747 SGZQYRHIGNRJDD-INIZCTEOSA-N 357.458 1.736 0 50 FDAA CN(C)S(=O)(=O)c1ccc(C(=O)N2CCCc3ccccc3CC2)cn1 333956802 HJCQZTNXVRKVBU-UHFFFAOYSA-N 373.478 1.963 0 50 FDAA Cc1nc(C)c(C)c(N2C[C@H](COCC(=O)N(C)C)OC(C)(C)C2)n1 488154176 DPOKADHCGJRRHV-OAHLLOKOSA-N 350.463 1.490 0 50 FDAA COc1ccc(CN2CCN(C(=O)c3ccnn3C(F)F)CC2=O)cc1 77390618 BROQYSRGJDBVJS-UHFFFAOYSA-N 364.352 1.771 0 50 FDAA O=C(CCn1c(CO)nc2ccccc21)N1CCO[C@H](C(F)(F)F)C1 71767571 SPUZFELOIUMXSO-ZDUSSCGKSA-N 357.332 1.708 0 50 FDAA COc1ccc(S(=O)(=O)N2CC(N[C@@H](C)C3CCOCC3)C2)cc1 369785770 AYSGYJOXBQKRLQ-ZDUSSCGKSA-N 354.472 1.473 0 50 FDAA Cc1noc([C@@]2(O)CCN(C(=O)Cc3cnn(-c4ccccc4)c3)C2)n1 372871825 RWYUSEGQVMOTQM-GOSISDBHSA-N 353.382 1.226 0 50 FDAA CCn1cc([C@H]2OCC[C@@H]2C(=O)N2CCN(c3nccnc3C)CC2)cn1 373010810 QFNDIFFEVWDELE-DLBZAZTESA-N 370.457 1.428 0 50 FDAA N[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)OC3)C[C@H]1c1ccccc1 374355972 RCRDVAPOELTSII-DLBZAZTESA-N 358.419 1.472 0 50 FDAA O=C([C@@H]1CC[C@H](C(=O)N2CCOCC2)O1)N1Cc2ccccc2C2(CC2)C1 376379160 WRNMORKXNUTHTK-MSOLQXFVSA-N 370.449 1.467 0 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CN(C)C(=O)c1ccc(CN2CCC[C@@H](c3nccn3CC(N)=O)C2)o1 95510422 BAXPOQOLBNTRRY-CYBMUJFWSA-N 359.430 1.043 0 50 FDAA CC(C)Cc1cc(CNC(=O)[C@H]2CC(=O)N(Cc3cccnc3)C2)no1 95516987 RPRJYUAPOVHHGD-HNNXBMFYSA-N 356.426 1.933 0 50 FDAA C/C(=C\c1ccccc1)CN1CC[C@@]2(O)CCN(S(C)(=O)=O)C[C@H]2C1 95383060 KVMCFZLSUKTOQB-ZTNVVHBJSA-N 364.511 1.808 0 50 FDAA Cc1ccc([C@H](CNC(=O)c2c(C)nc3ncccn23)N2CCOCC2)o1 97288860 SGIYEXBHNATBHU-HNNXBMFYSA-N 369.425 1.742 0 50 FDAA Cc1nccn1Cc1nnc([C@H]2CCCN(C(=O)c3ccncc3)C2)n1C 95352295 KEFQBNWVPHTRNI-INIZCTEOSA-N 365.441 1.783 0 50 FDAA O=C(NCCN1CCCC[C@H]1CO)c1cnc(-c2cccs2)nc1O 91655883 RWUBFEXIRRZRJX-LBPRGKRZSA-N 362.455 1.487 0 50 FDAA COCCN(C)C[C@@H]1CN(C(=O)c2ccc3ccccc3c2O)C[C@@H]1CO 91603868 RPXCQKVNYLGJGA-IAGOWNOFSA-N 372.465 1.804 0 50 FDAA O=C(NCc1nc(-c2cccnc2)no1)[C@@H](c1cccnc1)N1CCCC1 95377869 VUDWUJMITXQJCY-QGZVFWFLSA-N 364.409 1.980 0 50 FDAA Cc1cc(C)c2c(N3CCC4(CC3)C(=O)N(C)C(=O)N4C)ncnc2n1 95360005 ZLEFRELYIQWWQA-UHFFFAOYSA-N 354.414 1.504 0 50 FDAA 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COC[C@H]1CCCN1S(=O)(=O)NCc1nc2ccc(OC)cc2[nH]1 670451411 NQELGYZKRHOSCT-LLVKDONJSA-N 354.432 1.017 0 50 FDAA O=C(c1c[nH]nc1[C@@H]1CCCCN1)N1CCN(c2ccc(F)cn2)CC1 864802343 PPCIONURTZSNAH-HNNXBMFYSA-N 358.421 1.721 0 50 FDAA CCOc1c(F)cccc1C(=O)N1C[C@@H]2COCC[C@]2(C(=O)NC)C1 952851055 DAHNISSQJNIHTF-XIKOKIGWSA-N 350.390 1.449 0 50 FDAA COc1ccc2c(C(=O)NCc3c(C)nn(CC(=O)O)c3C)cnn2c1 1875267053 XVNBCMFMPUGTDZ-UHFFFAOYSA-N 357.370 1.171 0 50 FDAA CCN=c1[nH]c(C(=O)N2CCC[C@@]23CCC[S@](=O)(=NC)C3)cs1 1875395297 ACOHHLQVWSWRCV-NPMXOYFQSA-N 356.517 1.863 0 50 FDAA C=CC(=O)Nc1ccc(O)c(C(=O)N=[S@@]2(=O)CCC3(C2)OCCO3)c1 1875371894 OZTSAQAEYXKJKF-RUZDIDTESA-N 366.395 1.272 0 50 FDAA Cc1cc(C)nc(C(=O)NC[C@H](CO)Nc2ncc(Cl)c(O)n2)c1 1875333210 IRXFSENZXVNSRF-SNVBAGLBSA-N 351.794 1.050 0 50 FDAA CN(C(=O)Cc1ccc(F)cc1)C1CN(C(=O)[C@H](O)c2ccccc2)C1 1875356138 HCBGPEWNHIBLSC-LJQANCHMSA-N 356.397 1.771 0 50 FDAA Cc1nnc(N2C[C@H](CNC(=O)Cc3c[nH]c4cccnc34)C[C@H]2C)o1 1875341228 LQYHHXCFRGVQIU-YPMHNXCESA-N 354.414 1.828 0 50 FDAA CN1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc2c(c1)CCC[C@@H]2N 1875315493 XIFDBCNHSPWHNX-GHTZIAJQSA-N 373.497 1.368 0 50 FDAA COC(C)(C)CCNC(=O)NS(=O)(=O)N(C)Cc1cccc(F)c1 1875331053 NETOVOIXKSUBAN-UHFFFAOYSA-N 361.439 1.617 0 50 FDAA Cc1csc([C@@H](C)C(=O)N2CC[C@](C)(NC(=O)c3cn(C)nn3)C2)n1 1875362004 LMUHZUJHRYRPDL-BZNIZROVSA-N 362.459 1.105 0 50 FDAA CCN1C(=O)CC[C@@H]1C(=O)NCc1cn(-c2cc(F)cc(Cl)c2)nn1 1875338081 NFXRBKOGHRPBFA-CQSZACIVSA-N 365.796 1.687 0 50 FDAA COc1ccc(-n2cnnc2)cc1NC(=O)CC[C@H](C)N1CCN(C)CC1 952979016 LXSJYGAWPBIVKG-HNNXBMFYSA-N 372.473 1.631 0 50 FDAA Cc1c([C@H]2CN(C(=O)C(C)(C)c3cccnc3)C[C@@H]2C(N)=O)cnn1C 886085661 JZGLRWBLCCQIKE-CVEARBPZSA-N 355.442 1.129 0 50 FDAA CCN1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3cncnc3C3CC3)C2)[C@@H]1C(C)C 888094752 JGYASMHXDYLWIQ-ZTRFORPCSA-N 358.486 1.954 0 50 FDAA CCO[C@H]1COCC[C@@H]1NC(=O)CCNC(=O)c1cccc(OC)c1 1565514726 JGZCPFPBYWZVEN-HOTGVXAUSA-N 350.415 1.125 0 50 FDAA Cc1nn(-c2cccc(F)c2)cc1C(=O)NCCN1CCC2(C1)OCCO2 899063399 CPROASJBFSYGII-UHFFFAOYSA-N 374.416 1.498 0 50 FDAA Cc1cc(C(=O)NC[C@@H](NC(=O)c2cc(C)nc(O)c2)C2CC2)cc(O)n1 1319985438 WNRFSYBQRTVYJX-OAHLLOKOSA-N 370.409 1.443 0 50 FDAA Cc1oc(Br)cc1C(=O)NS(=O)(=O)C[C@H]1CCCO1 408496248 GQMQITLYOWBVBY-MRVPVSSYSA-N 352.206 1.589 0 50 FDAA Cc1cc(C(C)(C)C)cc(S(=O)(=O)N2CC[C@H](CO)[C@@H](O)C2)c1C 1506421366 FQPPPEOQWDGITQ-ZBFHGGJFSA-N 355.500 1.965 0 50 FDAA Cc1noc(-c2ccc(S(=O)(=O)NCc3nnc4n3CCC4)o2)c1C 1506421537 IFQQHYSZJQNQSS-UHFFFAOYSA-N 363.399 1.568 0 50 FDAA COc1cc(C(=O)N2CC[C@H](CNC(=O)C3CCCC3)[C@@H](O)C2)ccn1 215224887 IITMTYZUUOVWKZ-CVEARBPZSA-N 361.442 1.220 0 50 FDAA CSCc1noc(CN2CCCN(C(=O)c3cscn3)CC2)n1 1772819510 NAWMPASNGJFQBI-UHFFFAOYSA-N 353.473 1.737 0 50 FDAA CCn1nccc1C(=O)N1CCCN(C(=O)Cn2nc(C)cc2C)CC1 1772711914 LKGHTTDKOGYCBR-UHFFFAOYSA-N 358.446 1.091 0 50 FDAA CCS(=O)(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 11662343 YPKGSGPCUVKIOV-LLVKDONJSA-N 350.362 1.746 0 50 FDAA COc1cccc(CCNC(=O)c2cn(C[C@@H]3CCCO3)nn2)c1OC 12580629 DPTABOUUOSGZPO-AWEZNQCLSA-N 360.414 1.447 0 50 FDAA O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1CCC(=O)N(C2CC2)C1 14981454 ZRHJGQXCCWGRPN-HNNXBMFYSA-N 355.438 1.831 0 50 FDAA O=C(Cc1ccc2c(c1)OCO2)N[C@H](Cc1ccncc1)[C@H]1C[C@H](O)C1 223720104 PKTUJLFODXNOJS-IXDOHACOSA-N 354.406 1.851 0 50 FDAA CCn1ccnc1CN[C@@H]1CCN(c2nc(C(=O)N(C)C)nc(C)c2C)C1 1857528321 AONHUBQMTDNEJQ-OAHLLOKOSA-N 371.489 1.380 0 50 FDAA O=C(c1ccn2ncnc2c1)N1CCC2(CC1)Nc1ccccc1NC2=O 1857666888 WHXXOQPJRPUKEP-UHFFFAOYSA-N 362.393 1.768 0 50 FDAA O=C(c1n[nH]c2c1CCC2)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857675844 KEGBWJUFPHMXGF-FQEVSTJZSA-N 366.421 1.788 0 50 FDAA Cc1ccc(C(C)C)c(OC(C)(C)C(=O)N[C@H]2CCO[C@H](CO)[C@H]2O)c1 1857679853 XYWRVGHBBBKCIQ-JQHSSLGASA-N 365.470 1.903 0 50 FDAA COCCN(C)C[C@H](O)C1CCN(C(=O)c2cn3ccsc3n2)CC1 1857710072 GOFFISFPTUCBCI-HNNXBMFYSA-N 366.487 1.187 0 50 FDAA C[C@@H](NC(=O)C(C)(C)C(N)=O)c1cc2c(cc1Br)OCCO2 225521698 HPFLEKXXDSYXFH-MRVPVSSYSA-N 371.231 1.909 0 50 FDAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)CCCn1ccnc1 247879012 VAILJALPBZEVGK-CVEARBPZSA-N 368.441 1.217 0 50 FDAA C[C@@H](O)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F 136093806 PQNOVDXEUMAHAJ-YPMHNXCESA-N 356.369 1.780 0 50 FDAA CN1C(=O)C[C@@H](C(=O)N(CCC(=O)O)C2CCOCC2)c2ccccc21 378179753 LUUKBNDMBSQGJG-OAHLLOKOSA-N 360.410 1.619 0 50 FDAA Cn1ccnc1[C@@H]1OCCC[C@H]1CNC(=O)c1ccnc2c1ncn2C 858008385 OURSCRJFZYHLCG-SWLSCSKDSA-N 354.414 1.600 0 50 FDAA CCc1ncc(S(=O)(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)[nH]1 1565528449 XCDSJFDDESYLIB-GJZGRUSLSA-N 365.455 1.625 0 50 FDAA COCCn1nnnc1S[C@H]1CCCN(c2cccc(F)c2)C1=O 2325758808 QEWSDDMXUAVFHH-ZDUSSCGKSA-N 351.407 1.746 0 50 FDAA COC12CC(CN(S(=O)(=O)C[C@H]3CCC4(CCOCC4)CO3)C1)C2 2325782931 NMNWFFFYRXCCAA-ISXOHVOVSA-N 359.488 1.403 0 50 FDAA Cn1nc(CNS(=O)(=O)c2ccc3ccn(C)c3c2)c2c1CCOC2 2325804036 QXUAOYFRCHMSOZ-UHFFFAOYSA-N 360.439 1.463 0 50 FDAA CCOC(=O)[C@](C)(NC(=O)c1cc(=O)c(Br)c[nH]1)C(C)C 2325827066 UQVDVCFWWJGIJY-CQSZACIVSA-N 359.220 1.845 0 50 FDAA Cc1ccc(N2CC[C@H](CN(C)C(=O)c3cnn4cccnc34)C2)nn1 2325863155 XPVCUGJVUQUEQP-CQSZACIVSA-N 351.414 1.426 0 50 FDAA Cc1cc(=O)c2ccccc2n1CC(=O)N1CCC[C@]12CCCNC2=O 2356146603 MWCPSVXLODWVLO-FQEVSTJZSA-N 353.422 1.581 0 50 FDAA CO[C@H]1CC[C@H](NC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2)CC1 2356156268 ZNBANGUFTDYGLN-BZSNNMDCSA-N 359.470 1.451 0 50 FDAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(C(=O)c2ccc3c(c2)OCCO3)C1 2356160460 SVDZTWMOOWMYTE-HXUWFJFHSA-N 366.421 1.781 0 50 FDAA C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)CN1C1CC1 246375500 IJJWTQFZILYAJL-SZVBFZGTSA-N 355.482 1.962 0 50 FDAA CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCCC2(CCOCC2)C1 225418440 BRJWFMDZOXEFSY-INIZCTEOSA-N 372.531 2.000 0 50 FDAA NC(=O)C1CCN(C(=O)CN2CCN(c3ccc(Cl)cc3)CC2)CC1 55561985 GMURGNRMVUNIBH-UHFFFAOYSA-N 364.877 1.186 0 50 FDAA Cc1cc(CN2CCC[C@@H](c3nn(C)c(=O)n3-c3ccccc3)C2)[nH]n1 67603894 UGGLHQCJVGQHNX-OAHLLOKOSA-N 352.442 1.982 0 50 FDAA CCCNc1ncc(CN2CCC(Cc3nnc(CO)n3C)CC2)cn1 55074772 BFPDADCMWMGQHD-UHFFFAOYSA-N 359.478 1.374 0 50 FDAA Nc1ncnc2c1ncn2CCCSc1nnnn1-c1ccc(O)cc1 109380018 BEAZTMQMYKZTPZ-UHFFFAOYSA-N 369.414 1.272 0 50 FDAA O=C(c1ccc(=O)[nH]c1)N1CCc2onc(-c3ccc4c(c3)OCO4)c2C1 67696353 YCWNHQRBPXEDNK-UHFFFAOYSA-N 365.345 1.957 0 50 FDAA CCn1c(C2CCN(Cc3cc(F)c(O)c(OC)c3)CC2)nn(C)c1=O 67850517 SAOQGMNDGXUUSQ-UHFFFAOYSA-N 364.421 1.835 0 50 FDAA COc1ccc(Cc2ncc3c(n2)CN(C(=O)[C@H]2CCC(=O)N2)C3)cc1 67965919 SFWZMBOKMKDQPI-OAHLLOKOSA-N 352.394 1.197 0 50 FDAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cc(COc2cccc(F)c2)[nH]n1 67788064 RXMAKVRHYPELDO-IRXDYDNUSA-N 362.405 1.577 0 50 FDAA Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N(C)[C@@H](C)C[S@@](C)=O 135696503 MTGNKLVZWIBZIG-NPMABZOXSA-N 372.512 1.374 0 50 FDAA O=C(NCc1nc2ccccc2[nH]1)c1cc(CN2CCC(O)CC2)on1 67975826 JIYBDSSKDIDURO-UHFFFAOYSA-N 355.398 1.438 0 50 FDAA COc1cc(C)ccc1OCc1nc(C(=O)N[C@@H](C)c2nnn[nH]2)co1 67947905 FCUVKJISBYJUDC-JTQLQIEISA-N 358.358 1.575 0 50 FDAA CC(C)C[C@H](NC(=O)c1cccs1)C(=O)N1CCS(=O)(=O)CC1 20911671 FGZYHCXVFHHIRJ-LBPRGKRZSA-N 358.485 1.150 0 50 FDAA COCc1noc(CNC(=O)c2ccc([C@@H]3CCCN3C(C)=O)s2)n1 20209045 WQNSWKLPTRUITQ-NSHDSACASA-N 364.427 1.891 0 50 FDAA CN(C)[C@@H]1C[C@@H](CO)N(C(=O)c2ccc(CSc3ncccn3)o2)C1 65495606 SXGMNBLVDKGSSM-OLZOCXBDSA-N 362.455 1.499 0 50 FDAA O=C(c1ccc(N2CCOCC2)nc1)N1CCC(Cn2cccn2)CC1 20993768 URKNUXDAFDRSQC-UHFFFAOYSA-N 355.442 1.667 0 50 FDAA O=C(Nc1ccc(N2CCCC2=O)cn1)C1CCN(c2cnccn2)CC1 124245708 ARPHWQOTMDTLRT-UHFFFAOYSA-N 366.425 1.854 0 50 FDAA COc1ccc(Br)cc1/C=C/C(=O)N1CCO[C@H](C(=O)O)C1 314804967 FAQZPWTZUWFXAY-NDRDAGNVSA-N 370.199 1.783 0 50 FDAA CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cccc(NCc2ccccn2)c1C 67654217 ZWPGYDHEJOEUSQ-KDOFPFPSSA-N 367.453 1.290 0 50 FDAA Cc1cc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCCO)c(Cl)cc1F 219909532 MITDUMFZRLVVJJ-CHWSQXEVSA-N 367.826 1.232 0 50 FDAA Cc1nc(C)n(CCNC(=O)C[C@@H]2COCCN2Cc2ccc(C)o2)n1 72478828 USZWJVVXOMECNX-MRXNPFEDSA-N 361.446 1.204 0 50 FDAA Cc1ccn(-c2cc(NCCNC(=O)c3ccc4c(c3)OCO4)ncn2)n1 72438029 BOROMXLSGQQCST-UHFFFAOYSA-N 366.381 1.541 0 50 FDAA COC(=O)CN1CCN(c2nccc(CCC(F)(F)F)n2)[C@@H](C)C1=O 71730616 YNFYHEBGWGCXRH-JTQLQIEISA-N 360.336 1.182 0 50 FDAA Cc1ccc(CN2CCN(C(=O)c3c[nH]c(=O)c(Cl)c3)CC2=O)cc1 72418466 JOLSFFJGMHOWHM-UHFFFAOYSA-N 359.813 1.821 0 50 FDAA CC(C)(CNC(=O)C1CCN(C(=O)c2ccccc2)CC1)N1CCOCC1 152356280 VXCZDEGLSRWZTO-UHFFFAOYSA-N 373.497 1.766 0 50 FDAA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)CCn1c(=O)[nH]c2ccccc21 219986059 LKMWKFSQQGDJFQ-AEFFLSMTSA-N 373.453 1.976 0 50 FDAA Cc1nc2ccc(C(=O)N3CCOC[C@@](O)(CN4CCCC4)C3)cc2o1 77504555 DCNZPVRRIRBYMH-LJQANCHMSA-N 359.426 1.436 0 50 FDAA Cn1cc([C@@H](NC(=O)c2ccc(N3CCCC3=O)cc2)C2CC(O)C2)cn1 219596958 MUONEZIPZWDDNA-YVNUBYTISA-N 368.437 1.789 0 50 FDAA O=C(CCN1CCC[C@H](N2CCCC2=O)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 71745387 YAOQKWFCMJDKIJ-AWEZNQCLSA-N 371.441 1.272 0 50 FDAA Cc1ccccc1[C@H]1CN(C(=O)c2cn(CC3(C)COC3)nn2)CCO1 368708778 ZPSIVPAXRWEWON-QGZVFWFLSA-N 356.426 1.837 0 50 FDAA O=C(N[C@@H]1CCCN(c2cccnn2)C1)C1CN(C(=O)C2CCCCC2)C1 333614186 FJUJQHLASYAFBT-QGZVFWFLSA-N 371.485 1.600 0 50 FDAA O=C(c1csc2c1CCCC2)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 333790697 XMYAFVIGMRMBKH-HIFRSBDPSA-N 355.481 1.655 0 50 FDAA CCN(CCn1cccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(C)(C)C)C(=O)[C@@H]13)O2 77437911 TVNSOLMACAJNAB-MFCZKXCZSA-N 372.469 1.312 0 50 FDAA COCCn1cnnc1CN(C)C(=O)Cn1c(C)cc(=O)c2ccccc21 218902356 WQNFFUCSGGTNEV-UHFFFAOYSA-N 369.425 1.206 0 50 FDAA O=C1NCCN(S(=O)(=O)NCc2ccccc2)[C@H]1Cc1ccccc1 71416029 RDYGZXMOUKIHEY-KRWDZBQOSA-N 359.451 1.064 0 50 FDAA Cc1noc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(CC(C)(C)C)C(=O)[C@H]24)O3)n1 77406382 ILFPCKLLJJPOIE-WGDDSDEBSA-N 374.441 1.165 0 50 FDAA O=C1CCCN1CCN1CCC[C@@H](c2cc(N3CCOCC3)ncn2)C1 72409168 CUCNJODRZANREF-MRXNPFEDSA-N 359.474 1.115 0 50 FDAA Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC(Oc2ccc(F)cc2)CC1 72424440 SAFUWCSNTDPJGJ-UHFFFAOYSA-N 361.373 1.123 0 50 FDAA Cc1cccc2[nH]c([C@@H]3CCCN(C(=O)Cn4ccc(=O)[nH]c4=O)C3)nc12 77406208 FHBSJEAADRILPQ-CYBMUJFWSA-N 367.409 1.128 0 50 FDAA NCCCNC(=O)[C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 71759714 RTYSOTAZUVGGMR-FQEVSTJZSA-N 372.557 1.871 0 50 FDAA C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(c2ncc[nH]c2=O)CC1 215459688 NKUFLKLZLIQXRW-LBPRGKRZSA-N 362.817 1.539 0 50 FDAA CCN(CC)[C@@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)C1 174152503 RCTTUXKUYWMXSM-IAGOWNOFSA-N 350.507 1.857 0 50 FDAA CC[C@H](C(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1)n1cccn1 77356370 DCEFCSCZJFFBIB-QGZVFWFLSA-N 356.426 1.827 0 50 FDAA Cc1cnc(C(=O)N2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)cn1 71746992 GWSKLVHPRUWOTB-HNNXBMFYSA-N 371.485 1.380 0 50 FDAA CNc1cc(N2CCC[C@@H]2CNc2ccc(C(=O)N(C)C)cn2)ncn1 174730995 WSXLFHGWYBNNEW-CQSZACIVSA-N 355.446 1.696 0 50 FDAA O=C(CCn1ccnc1)N[C@@H]1COCC[C@H]1Oc1ccc(C(=O)O)cc1 220158725 SNBGOBNOUQKIDA-HZPDHXFCSA-N 359.382 1.324 0 50 FDAA CC(C)N1C[C@@H](C(=O)NCCNC(=O)c2ccccc2Cl)CC1=O 41396788 DDYNMMPDRMFITL-LBPRGKRZSA-N 351.834 1.443 0 50 FDAA Cc1nc(CN(C)C(=O)C2CCN(C(=O)[C@@H]3CCCO3)CC2)cs1 221215633 ACQSGEPYRRKDMB-HNNXBMFYSA-N 351.472 1.828 0 50 FDAA Cc1nn(C)c(C)c1CCC(=O)NCC[C@H]1CCCCN1S(C)(=O)=O 82158515 BZYVDFVSRPLDST-OAHLLOKOSA-N 370.519 1.290 0 50 FDAA COC(=O)c1ccc([C@@H]2NN(Cc3ccccc3)[C@H]3C(=O)NC(=O)[C@@H]23)cc1 135687815 IYCFTSYTVJRMLQ-YESZJQIVSA-N 365.389 1.176 0 50 FDAA CCn1c(CN2CCC(Oc3cccnc3)CC2)nnc1[C@H]1C[C@@H](N)C1 222268649 SWYNSXXXOPSHGM-SHTZXODSSA-N 356.474 1.941 0 50 FDAA COCCN1C[C@]2(CCCN(c3nc(OC)cc(OC)n3)C2)CCC1=O 82137324 CKWLUDSVVYVKKY-SFHVURJKSA-N 364.446 1.349 0 50 FDAA O=C(O)c1cn(CCc2ccccc2)cc(C(=O)N2CCC[C@H]2CO)c1=O 426589106 RUUISMPUCALOPP-HNNXBMFYSA-N 370.405 1.386 0 50 FDAA Cc1ccc(C(C)(C)NC(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)cc1 426641307 BXMKELGEQHAVKC-HNNXBMFYSA-N 354.472 1.421 0 50 FDAA Cc1ccccc1[C@@H](C(=O)N1CCN(C(=O)c2ccc[nH]2)CC1)N(C)C 95523278 KMBPLRQCXKTBQS-SFHVURJKSA-N 354.454 1.910 0 50 FDAA O=C(NCc1nnnn1-c1ccccc1)[C@@H]1CCCN(C2CCOCC2)C1 95392310 FJJIZQJJKHNFPD-OAHLLOKOSA-N 370.457 1.170 0 50 FDAA O=C1CCCCN1CCNC(=O)N1CCc2nc[nH]c2[C@H]1c1cccnc1 426699940 MHIWUEQVUNOGPL-GOSISDBHSA-N 368.441 1.474 0 50 FDAA Cc1c(CN2CCC3(CC2)COC(=O)O3)c(=O)n(-c2ccccc2)n1C 97814950 DAFYHQOKBDXZCT-UHFFFAOYSA-N 357.410 1.986 0 50 FDAA COCCCN1CC2(CCC1=O)CCN(C(=O)c1n[nH]c3c1CCC3)CC2 91974197 ZQSLINKNDPUSFK-UHFFFAOYSA-N 374.485 1.780 0 50 FDAA O=C(NC1CCC1)c1cccc(S(=O)(=O)NC[C@H]2CCCCO2)c1 95356043 BZRLFBHAWVXZQW-OAHLLOKOSA-N 352.456 1.816 0 50 FDAA COc1ccc([C@@H]2CN(C(=O)c3ccnc(N)c3)C[C@H]2NC(C)=O)cc1 91351197 PNNLOAMPGAHPKO-DLBZAZTESA-N 354.410 1.417 0 50 FDAA O=C(O)c1cnn2cc(CN3C[C@@H](C(=O)O)[C@H](c4ccccc4)C3)cnc12 91526487 KXOMXEOMKSFRCG-JKSUJKDBSA-N 366.377 1.728 0 50 FDAA Cc1ncc(CN2CCC3(CCC(=O)N(CCCN(C)C)C3)CC2)cn1 91965731 ZIMNQQZQVXJYOP-UHFFFAOYSA-N 359.518 1.941 0 50 FDAA CN1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(S(N)(=O)=O)cc1 95386085 TYKXUZMUCZZGLQ-QGZVFWFLSA-N 359.451 1.007 0 50 FDAA CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)N(Cc1cc(=O)c3ccccc3[nH]1)C2 91657413 JUHGZFSYTKHAGN-DOTOQJQBSA-N 368.481 1.513 0 50 FDAA CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccccn2)CN1Cc1ncc[nH]1 96151852 UEEUVQHCMKWNEU-HOCLYGCPSA-N 370.457 1.046 0 50 FDAA O=C([C@@H]1CCCN(Cc2ccco2)C1)N1CCN(c2ncccn2)CC1 95359317 ZRAOFWSNYDHAQG-MRXNPFEDSA-N 355.442 1.630 0 50 FDAA Nc1nc(CCc2nc(COc3ccccc3)nn2CC(=O)O)cs1 97475649 FXAUFRIEIUOJRR-UHFFFAOYSA-N 359.411 1.766 0 50 FDAA OC[C@H]1CN(Cc2ccc(-n3cccn3)cc2)C[C@H]1CN1CCOCC1 91726042 BFZYBUBSJUTPFS-RTBURBONSA-N 356.470 1.245 0 50 FDAA Cc1nc(N(C)C)nc(N2CCC3(CC2)[C@@H](C(=O)O)CC(=O)N3C)c1C 95381127 CUZVFBQJLGRMQP-CYBMUJFWSA-N 361.446 1.061 0 50 FDAA Cc1ccc2c(c1)c(=O)c(C(=O)N[C@H]1COC[C@@H]1N1CCCC1)cn2C 244788036 QIBLHBKUNFYVNZ-WMZOPIPTSA-N 355.438 1.440 0 50 FDAA O=C1NC[C@@H](O)Cn2nc(C(=O)N(Cc3ccc(Cl)cc3)C3CC3)cc21 244742301 OFGCLGKOWHCGPG-CQSZACIVSA-N 374.828 1.446 0 50 FDAA Cc1noc(C)c1COc1ccccc1C(=O)N1CCO[C@@H](C(=O)O)C1 299750387 NIDVFUAODOYIGR-MRXNPFEDSA-N 360.366 1.796 0 50 FDAA CC[C@@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](N)C(C)C)CC1)C(=O)O 252460870 ISUQCQFSRIVKHU-SUJAAXHWSA-N 369.506 1.508 0 50 FDAA biogenic CC[C@H](C)[C@@H](CO)NC(=O)CC[C@@H]1N=C(O)N(Cc2ccco2)C1=O 252539829 OLWTUXUGROFADF-FPMFFAJLSA-N 351.403 1.208 0 50 FDAA CC(C)c1ccc(C(=O)N[C@H](C2CCNCC2)[C@H]2C[C@H](O)C2)c(=O)n1C 252540121 OTUAHMFAOSTJCW-IIDMSEBBSA-N 361.486 1.378 0 50 FDAA CCn1c(=O)oc2cc(NC(=O)NCCN3CCCC[C@H]3CO)ccc21 299757532 JCFOULHNQXCXCT-AWEZNQCLSA-N 362.430 1.583 0 50 FDAA O=C(O)C1(n2cccn2)CCN(S(=O)(=O)c2cccc(F)c2)CC1 72419082 QKQWGFOARLMHIX-UHFFFAOYSA-N 353.375 1.287 0 50 FDAA COCCn1cnnc1CCNC(=O)Nc1ccc(C(N)=O)c(Cl)c1 299799897 VFXILOKLEZGFTF-UHFFFAOYSA-N 366.809 1.041 0 50 FDAA CCCCSCc1cc(C(=O)N2CCN3CCNC(=O)[C@@H]3C2)oc1C 299761293 IOBKGPFLPNTTDP-HNNXBMFYSA-N 365.499 1.878 0 50 FDAA CO[C@@]12CC[C@H](OCC(=O)O)C[C@@H]1N(Cc1nc(C3CC3)no1)CC2 299792255 FWAQIZVDKKMHFC-GDZNZVCISA-N 351.403 1.560 0 50 FDAA COCCN1C[C@@H](CN2CCN(Cc3cccc(Cl)c3)CC2)CC1=O 299756548 GUNVWUSLHSKKCL-QGZVFWFLSA-N 365.905 1.953 0 50 FDAA CN(C)c1nc(-c2cccc(C(=O)NCC3(O)CCCCC3)c2)nn1C 299762301 TVWFLZZPFAAXJW-UHFFFAOYSA-N 357.458 1.973 0 50 FDAA O=C(NCc1cnn(-c2cccc(F)c2)c1)[C@H]1CCCCn2nnnc21 299761357 KGEUXRPUQISHRX-HNNXBMFYSA-N 355.377 1.582 0 50 FDAA O=C(CNS(=O)(=O)c1cccs1)NCCCn1cc(Cl)cn1 299796952 STOYKBDPINCZSF-UHFFFAOYSA-N 362.864 1.083 0 50 FDAA CN1CCN(CC(=O)N2CCC(c3nc4cc(F)ccc4[nH]3)CC2)C1=O 299756814 GBUDUCWMQZXKKU-UHFFFAOYSA-N 359.405 1.775 0 50 FDAA CCN(C(=O)c1cc2nc(C)cc(C(F)(F)F)n2n1)[C@H]1COC[C@@H]1O 299774983 KFQHBCYKTHXVIC-QWRGUYRKSA-N 358.320 1.278 0 50 FDAA CC(C)(C)c1ccc2oc(CNC(=O)[C@H]3CCC(=O)NC(=O)N3)nc2c1 299781295 KVSSDSXKSYBBDT-LLVKDONJSA-N 358.398 1.730 0 50 FDAA CN(C)C(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2cc(Cl)cnc2N)C1 269748289 BFCFIEZYMJMHSG-KOLCDFICSA-N 360.867 1.243 0 50 FDAA NC(=O)[C@H]1CC[C@@H](C2CCN(C(=O)c3ccc(CO)c(F)c3)CC2)O1 952889708 KTLUONBPYIBQPV-JKSUJKDBSA-N 350.390 1.203 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)N(C)Cc2nn(C)cc2Br)C1 1875371344 XSAVJDGHWNUOPL-NSHDSACASA-N 369.263 1.566 0 50 FDAA CC[C@H](SC)C(=O)N[C@H](C)CN(C)C(=O)CS(=O)(=O)C(C)(C)C 1875302346 MBNMEIJCKBHTKA-NEPJUHHUSA-N 366.549 1.304 0 50 FDAA Nc1cccc2c1ccn2CC(=O)N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O 1875403416 WPXYRKRCIZTLCD-FDQGKXFDSA-N 353.426 1.376 0 50 FDAA Cc1ccc(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2nccn2C)n1C 886095332 SCPNZTLEZBJATI-RHSMWYFYSA-N 355.442 1.692 0 50 FDAA CCCn1c(C)nnc1CN1CC[C@@H](Oc2ccnc(CNC(C)=O)c2)C1 886071928 IFCSYEYAZWNNKK-GOSISDBHSA-N 372.473 1.681 0 50 FDAA O=C([C@@H]1C[C@H]1c1ccsc1)N1CCn2c(nn(CC(F)F)c2=O)C1 888092815 ICCXTVGFWHMVKK-WDEREUQCSA-N 354.382 1.517 0 50 FDAA CS(=O)(=O)CCN1CCN(C(=O)c2cscc2C(F)(F)F)CC1 888100753 NYFBTERGZXOADS-UHFFFAOYSA-N 370.418 1.569 0 50 FDAA COc1ccc(C2(CNC(=O)[C@@H]3CC[C@H](C(=O)O)N3C3CC3)CC2)cc1 888101472 BIGSRROQQMHBOS-DLBZAZTESA-N 358.438 1.923 0 50 FDAA CC(C)C(=O)N1C[C@@H](CNc2ncnc3c2cnn3C)C2(CCOCC2)C1 888103334 DACKKJKRNVYGHU-CQSZACIVSA-N 372.473 1.686 0 50 FDAA O[C@]1(CN2CCN(c3nc(-c4ccccc4)ns3)CC2)CCCNC1 72476286 CZMFNHGJNYWMHF-GOSISDBHSA-N 359.499 1.442 0 50 FDAA O=C(c1cc(O)nc2cc(F)ccc12)N1CC[C@@H]2NCCC[C@@]2(CO)C1 1565514200 AIABJPVZCMECIP-LPHOPBHVSA-N 359.401 1.656 0 50 FDAA Cc1nc(O)nc(O)c1CC(=O)N[C@H]1CCOC[C@@H]1OCc1ccccc1 1565515436 SYPJOWOEOOOWGI-HOTGVXAUSA-N 373.409 1.229 0 50 FDAA COc1ccc(S(=O)(=O)N2CCO[C@H]3CCC[C@H]32)cc1CC(=O)O 273718720 MBGPAVNMRXRUSW-HIFRSBDPSA-N 355.412 1.264 0 50 FDAA Cc1c(NC(=O)c2nc(C)n(-c3n[nH]c(C(F)(F)F)n3)n2)cnn1C 1323771216 QCCCTBRCCKYCRP-UHFFFAOYSA-N 355.284 1.007 0 50 FDAA C[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2)CCS1(=O)=O 192304282 RPHUCLMNQAOGGM-GOEBONIOSA-N 364.467 1.327 0 50 FDAA Cc1ccsc1[C@H]1CCN(C(=O)CCCN2CCOCC2)C[C@@H]1O 210197486 BDHQCFDTXPUJAW-HOTGVXAUSA-N 352.500 1.846 0 50 FDAA Cc1cccc2ncc(C(=O)N3C[C@H](O)[C@H](Cc4ccncc4)C3)c(=O)n12 1704277916 QZJPABRTKFXBNT-WBVHZDCISA-N 364.405 1.074 0 50 FDAA Cc1cc(Br)c(S(=O)(=O)N2C[C@H](F)C[C@@H]2CO)s1 332708566 OGQLXYSSQIAYHM-HTQZYQBOSA-N 358.254 1.912 0 50 FDAA O=C(CCS(=O)(=O)c1ccccc1)N1C[C@H](O)[C@H](Cc2ccncc2)C1 1704349947 IPYBDVLTPWYUDC-AEFFLSMTSA-N 374.462 1.307 0 50 FDAA COc1cccc2c1C1(CCN(C(=O)[C@@H]3CCCN3C(N)=O)CC1)OCC2 1704312252 HKJSKRMVTRKJEX-HNNXBMFYSA-N 373.453 1.629 0 50 FDAA CN(C(=O)c1csc(-c2ncccn2)n1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704335311 MZMUXUGLNVWSDW-GRYCIOLGSA-N 357.439 1.587 0 50 FDAA CCc1cc(CN2C[C@@H]3COC[C@H](C2)N(C(=O)c2ncccc2O)C3)on1 1772705990 FTDNFEHUKFKDCB-ZFWWWQNUSA-N 372.425 1.311 0 50 FDAA CCCc1cc(=O)n(-c2ccc(C(=O)N3C[C@H]4C[C@@H](O)C[C@H]4C3)cc2)[nH]1 1775982150 QZBONEPFPNKHTQ-JLVBRIDZSA-N 355.438 1.961 0 50 FDAA O=C(C1CCC1)N1C[C@H]2CN(Cc3ccccc3OCCO)C[C@@]2(CO)C1 1772805034 GVIMTVCTUPZBFN-NQIIRXRSSA-N 374.481 1.111 0 50 FDAA Cc1cccc2nc(CCNC(=O)c3cn(C[C@@H]4CCCO4)nn3)[nH]c12 12434024 XSEGZFFUTDPHHY-ZDUSSCGKSA-N 354.414 1.614 0 50 FDAA CN(Cc1ccc(OCC(=O)NC2CCCCC2)cc1)S(C)(=O)=O 14397328 VMVXVQXNGHXCSH-UHFFFAOYSA-N 354.472 1.906 0 50 FDAA CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)CNC(C)=O)C1 15069248 RPKKDBZKSZPJAH-IBGZPJMESA-N 364.417 1.676 0 50 FDAA COc1ccc(CN2C[C@@H]3CCOC[C@]3(CO)C2)cc1Cn1cccn1 1857669863 XGTKHLCXOCSXEO-AZUAARDMSA-N 357.454 1.771 0 50 FDAA Cc1c(CN2CCC[C@@]3(CCc4c(O)nc(N(C)C)nc43)C2)cnn1C 1857690950 WGYLKITVDFJXKW-LJQANCHMSA-N 356.474 1.770 0 50 FDAA Cc1cc(C(=O)N2C[C@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)cc(C)n1 1857722590 ZIWYCPXJRPGFPX-RCLSDMTESA-N 352.434 1.907 0 50 FDAA CCOC[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 113498912 ZKAUNDJVNWZKLB-INIZCTEOSA-N 356.488 1.007 0 50 FDAA O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCC(c2ncc[nH]2)CC1 329271449 IBGNLQVVNUTXOA-UHFFFAOYSA-N 374.466 1.969 0 50 FDAA Cc1c(C(=O)NC2(C(=O)O)CC2)nnn1-c1cccc(Br)c1 237768314 BTGCPEGIHGRONL-UHFFFAOYSA-N 365.187 1.685 0 50 FDAA O=C(NC[C@@H](Cc1ccccc1)C(=O)O)[C@H]1CC(=O)N(CC(F)(F)F)C1 238175662 FSSKHXXEKOCYHS-OLZOCXBDSA-N 372.343 1.457 0 50 FDAA O=C(Nc1ccn(CC(=O)N2CCOCC2)n1)c1cc(Cl)cs1 758380539 KMTBXOTTXDBRTN-UHFFFAOYSA-N 354.819 1.709 0 50 FDAA COc1cnc(CN2C[C@H]3CN(C4CCCC4)C[C@@]3(C(=O)O)C2)cc1O 247824492 FGVCRXAQGPKJJQ-DJJJIMSYSA-N 361.442 1.557 0 50 FDAA CCS(=O)(=O)N1C[C@@H]2OC(=O)N(CCc3cccc(Cl)c3)[C@@H]2C1 253490352 IIJLMCNALYWGPH-KGLIPLIRSA-N 358.847 1.737 0 50 FDAA CCNC(=O)c1cccc(C)c1O[C@H](C)C(=O)N1CCN(C(C)=O)CC1 267484912 YHZIQEOANMYFKI-CQSZACIVSA-N 361.442 1.203 0 50 FDAA Cc1sc(Br)c(C(=O)N2CC[C@H](S(N)(=O)=O)C2)c1C 408427694 QIYWKDQQQZQCKR-QMMMGPOBSA-N 367.290 1.630 0 50 FDAA Cc1ccccc1NC(=O)C1(NC(=O)Cc2n[nH]c(N)n2)CCCCC1 5176061 IQEAWZNBNLSLTE-UHFFFAOYSA-N 356.430 1.696 0 50 FDAA CCCN(Cc1cncnc1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 2325718821 AXELAHFFGZASRE-UHFFFAOYSA-N 366.425 1.786 0 50 FDAA O[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1Nc1nccc(-n2ccnc2)n1 2325785758 MHCTYXLFRVPHQK-IACUBPJLSA-N 359.821 1.764 0 50 FDAA C[C@H](c1ccc(CN2CCS(=O)(=O)[C@H](CO)C2)cc1)C(F)(F)F 2325807571 DKZJHYNOGALLAS-RISCZKNCSA-N 351.390 1.944 0 50 FDAA CC(C)c1cc(O)cc(CN2CCN(c3cncc4nnnn34)CC2)c1 2325811237 HHNJPRYFXPXVGX-UHFFFAOYSA-N 353.430 1.671 0 50 FDAA CC1(NC(=O)c2n[nH]cc2Cl)CN(c2nnnn2-c2ccccc2)C1 2325824572 GYOHFSYMFLEAEP-UHFFFAOYSA-N 358.793 1.048 0 50 FDAA O=C([C@H]1CCn2nccc2C1)N1CCc2nc(-c3cccnc3)nn2CC1 2356134678 XSDRMVORUNSMDK-AWEZNQCLSA-N 363.425 1.184 0 50 FDAA CN(C)C(=O)CN(c1ccc(-n2ccnc2)c(Cl)c1)S(C)(=O)=O 2356144247 OUCGHDRZIXTPSO-UHFFFAOYSA-N 356.835 1.380 0 50 FDAA Cn1cncc1C(=O)N1CCC[C@]12CCCN(Cc1ccccn1)C2=O 2356148717 OQJCJCIYDIILEJ-IBGZPJMESA-N 353.426 1.613 0 50 FDAA CCn1nccc1CN(C)C(=O)c1cc2ncc(Br)cn2n1 2790949 LBGGKZXIGAEXAT-UHFFFAOYSA-N 363.219 1.980 0 50 FDAA CCOC(=O)[C@H]1C(=O)N=C(N2CCCCC2)N[C@H]1c1ccc(OC)cc1 9184195 UKUWWHAOBPBYOY-CVEARBPZSA-N 359.426 1.887 0 50 FDAA CCOc1cc(CNC(=O)Cn2ncc(N(C)C)cc2=O)ccc1OC 20912807 BQHSXIOQIKBOJB-UHFFFAOYSA-N 360.414 1.033 0 50 FDAA CC(C)c1nc(CNC(=O)c2ccc(N3CCO[C@H](CCN)C3)nc2)no1 67724563 PAISSOCEHSMYJD-CQSZACIVSA-N 374.445 1.072 0 50 FDAA CCN(CC)Cc1cnc2c(C(=O)NCc3n[nH]c4c3CCC4)cnn2c1 67856588 UKNJHCMVVHIPIK-UHFFFAOYSA-N 367.457 1.713 0 50 FDAA CCn1c(C2CCN(C(=O)[C@@H]3CC(=O)c4ccccc43)CC2)nn(C)c1=O 67757662 JYXUCNNZINUNHE-MRXNPFEDSA-N 368.437 1.678 0 50 FDAA Cn1nc(CC2CCN(C[C@@H]3CCOC3)CC2)n(-c2ccccc2)c1=O 67921290 LSYZUMYGZODDLW-KRWDZBQOSA-N 356.470 1.862 0 50 FDAA 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FDAA CC(C)C(=O)N1CCC(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)CC1 1704278210 FZUIIUXLQOSQFL-MSOLQXFVSA-N 359.470 1.650 0 50 FDAA Cc1ncc(CN(CCO)C(=O)C2CCN(C(=O)C3CCCC3)CC2)[nH]1 1704308040 DIPUQNSSAJALCG-UHFFFAOYSA-N 362.474 1.468 0 50 FDAA CCCCS(=O)(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1c(C)noc1C 1614987143 GWQNYMIYWSZFGR-CABCVRRESA-N 369.487 1.844 0 50 FDAA CN(C)C(=O)N1CCC(C(=O)N[C@H]2COC[C@@H]2Cc2ccncc2)CC1 1615739128 FMOOQJAQJZTAPE-IRXDYDNUSA-N 360.458 1.149 0 50 FDAA Cn1cnc2cc(C(=O)N3CCCN(C(=O)C4CCC4)CC3)ccc2c1=O 1772709457 NNNXBUQYMOISHA-UHFFFAOYSA-N 368.437 1.408 0 50 FDAA CC(=O)N1CCC(C(=O)N2CCCN(C(=O)[C@@H]3CC=CCC3)CC2)CC1 1772708098 ATVGENSWMDWXDH-QGZVFWFLSA-N 361.486 1.662 0 50 FDAA COc1ccc(C(=O)N2CCCN(c3nccnc3OC)CC2)c(OC)n1 1772805145 IJAFRRIWGOENLK-UHFFFAOYSA-N 373.413 1.250 0 50 FDAA COC(=O)CCC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 11951058 YQBMIMJXZRBMAJ-GFCCVEGCSA-N 372.343 1.876 0 50 FDAA COCCCNC(=O)[C@@H]1CNC[C@H](C(=O)Nc2ccc3c(c2)CCC3)C1 14748620 ZQELKQQZKLENBI-DLBZAZTESA-N 359.470 1.492 0 50 FDAA COc1ccccc1CCN1CCC(CN(C)C(=O)[C@@H]2CCC(=O)N2)CC1 15068496 GMMCAJXQJTWDNG-SFHVURJKSA-N 373.497 1.687 0 50 FDAA CN1CCN(C(=O)[C@@H]2CC(c3cccc(Br)c3)=NO2)CC1 19589704 ZFATXVSLNCDYHA-AWEZNQCLSA-N 352.232 1.716 0 50 FDAA CN1CCN(CC2CCN(C(=O)[C@H](O)c3ccccc3Cl)CC2)CC1 163918349 FGCPSQXUPIHZIA-GOSISDBHSA-N 365.905 1.859 0 50 FDAA O[C@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@@H]1Nc1cncc(-n2cccn2)n1 1857531331 JOHQHQPVOQYRNS-UBHSHLNASA-N 359.821 1.764 0 50 FDAA COC1(C(=O)NC2CCC2)CCN(C(=O)[C@@H]2COc3ccccc3C2)CC1 1857679585 YPSYEBHGAFTYMM-INIZCTEOSA-N 372.465 1.914 0 50 FDAA O=C(CCn1cc(Cl)cn1)N[C@@H]1C[C@@H](C(=O)NC2CCC2)CC[C@H]1O 1857692021 LBNYKACENHRJAL-NILFDRSVSA-N 368.865 1.241 0 50 FDAA CN1CCO[C@@H](C(=O)N2CCc3nn(C)c(-c4ccccc4)c3CC2)C1 1857709461 YURIYOJRRRSOKR-GOSISDBHSA-N 354.454 1.345 0 50 FDAA O=C([C@H]1CC(=O)N(c2nccs2)C1)N1CCOc2ccc(CO)cc2C1 1857726015 FKJUXPWGALPXAE-AWEZNQCLSA-N 373.434 1.410 0 50 FDAA CN(Cc1cc(-c2ccccn2)no1)C(=O)[C@H]1CC[C@H]2OCCN[C@@H]2C1 1857731790 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COc1cc(O)c2c(c1)C=CC[C@H](O)[C@H](O)[C@H](O)C=CC[C@H](C)OC2=O 253681654 BPOLRDGTYHVUAY-ZJQCNOOHSA-N 364.394 1.392 0 50 FDAA biogenic,in-vitro C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc(C(N)=O)cn2)CC1 155410475 AYJQOUKMXFHEOC-ZDUSSCGKSA-N 353.426 1.531 0 50 FDAA O=C(CCc1ccncc1)N1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 818496233 PKQXPMINVQPZGA-IBGZPJMESA-N 356.426 1.871 0 50 FDAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3n[nH]c4c3COCC4)C1)CC2 1704297935 YORQVIMXGBCELZ-LJQANCHMSA-N 353.426 1.701 0 50 FDAA O=C(c1ccc(-n2ccnc2S)cc1)N1CCC2(CCNC2=O)CC1 831802154 NTDPXPUDBHXMMC-UHFFFAOYSA-N 356.451 1.903 0 50 FDAA CN1CCN(c2ncccc2CNC(=O)C[C@H]2CC[C@H](C3CC3)O2)CC1 930798739 NFHQKMFFGDPZLO-QZTJIDSGSA-N 358.486 1.797 0 50 FDAA COc1cncnc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 847047571 XITUKGHBHDTRPJ-AWEZNQCLSA-N 352.394 1.966 0 50 FDAA Cc1nc([C@@H]2C[C@@H](O)[C@@H](CNc3ncncc3Br)C2)n[nH]1 856773924 BLCSZDUVNLTDMP-IQJOONFLSA-N 353.224 1.632 0 50 FDAA COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNS(C)(=O)=O 1118601 MWTKPENKLVNDSP-UHFFFAOYSA-N 373.434 1.658 0 50 FDAA COc1cccc(NC(=O)CSc2nnc(NS(C)(=O)=O)s2)c1 2186099 YNMKTYYJQVYEPQ-UHFFFAOYSA-N 374.469 1.649 0 50 FDAA CNS(=O)(=O)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 2325760078 DSQCVNWFMTVGFJ-UHFFFAOYSA-N 372.450 1.952 0 50 FDAA Cc1cnn([C@H](C)C(=O)N2CC[C@@H](NC(=O)c3n[nH]cc3F)C23CC3)c1 2325871463 MCHMSACLSWUKHL-DGCLKSJQSA-N 360.393 1.178 0 50 FDAA Cc1ccc(Cl)cc1N(CC(=O)NC[C@H]1CCCO1)S(C)(=O)=O 877265 JOERDQQHVIGSNY-CYBMUJFWSA-N 360.863 1.710 0 50 FDAA CCCCn1nc(CC(C)C)c2c(N3CCN(C)[C@@H](CO)C3)ncnc21 2356151686 UJBPFEWKHUIUAP-OAHLLOKOSA-N 360.506 1.938 0 50 FDAA Cc1cc(NC(=O)CNS(C)(=O)=O)n(Cc2ccccc2Cl)n1 2356167054 GTNPZQNTNJCXBV-UHFFFAOYSA-N 356.835 1.381 0 50 FDAA Cc1cccc(N=c2[nH]c(CN3[C@H]4CC[C@@H]3C[C@@H](CO)C4)nc(=N)[nH]2)c1 2356169486 RZDRPVLVXGKKQF-MKZZRHPPSA-N 354.458 1.493 0 50 FDAA C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@]2(C)[C@@H]1CC[C@]2(O)[C@H](O)CO 4096778 JXCOSKURGJMQSG-RUEPSHLUSA-N 366.498 1.653 0 50 FDAA O=C1C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)NC(N2CCOCC2)=N1 6719624 XCUVCCXXTXMIRD-GFCCVEGCSA-N 371.224 1.509 0 50 FDAA CSCCc1n[nH]c2c1CN(S(=O)(=O)c1c(C)nn(C)c1C)CC2 23399053 BRMFYNMFSHNQOP-UHFFFAOYSA-N 369.516 1.413 0 50 FDAA OC[C@@H]1O[C@H](c2ccccc2)O[C@H]1[C@@H]1O[C@H](c2ccccc2)O[C@@H]1CO 26892990 FRNYWYUVZQQBQN-BGSOWLKRSA-N 358.390 1.937 0 50 FDAA O=C1CCC(C(=O)N2CCO[C@H](Cc3cccc(C(F)(F)F)c3)C2)=NN1 20785171 PPZRXEBHYPQFMX-CYBMUJFWSA-N 369.343 1.741 0 50 FDAA O=C1OCCN1CCNC[C@@]1(O)CCCN(CCC2CCCCC2)C1=O 67872273 QVOXITSZHPPUMT-IBGZPJMESA-N 367.490 1.352 0 50 FDAA O=C(c1ccc(CS(=O)(=O)N2CCCCC2)cc1)N1CCOCC1 20038506 KCSHZUFDAXXERA-UHFFFAOYSA-N 352.456 1.475 0 50 FDAA CCN(CC)C(=O)C(=O)N1CCC[C@H](c2n[nH]c(=O)n2-c2ccccc2)C1 67447396 ZPUPCSVHSVBHNY-AWEZNQCLSA-N 371.441 1.135 0 50 FDAA NC(=O)c1cnc2n1CCN(C(=O)Cn1c(C3CC3)nc3ccccc31)C2 67696839 QMOIBNBOASUONP-UHFFFAOYSA-N 364.409 1.252 0 50 FDAA Cn1c(NC[C@H](O)CN2CCc3ccccc3C2)nc2cccc(F)c21 328596991 CGBKICXXQSRJMA-INIZCTEOSA-N 354.429 2.544 0 50 FDAA CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)N[C@H](C)Cn2cncn2)n1C 328614954 AOSCNKDOATUWIP-CZUORRHYSA-N 358.446 1.509 0 50 FDAA CCN1CCC[C@@H](CN(C)C(=O)CCn2cncn2)[C@@H]1c1cnn(C)c1 328626554 LVPVOHBLNDYVTQ-MAUKXSAKSA-N 359.478 1.333 0 50 FDAA Cn1cnc2c(c1=O)CCN(S(=O)(=O)c1ccc(C(C)(C)C)s1)C2 328624695 JZRHFKSBVDADPW-UHFFFAOYSA-N 367.496 1.886 0 50 FDAA CN1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CC1 35352906 WYCKBBPKPNMQFF-UHFFFAOYSA-N 359.451 1.875 0 50 FDAA COc1nn(C)cc1NS(=O)(=O)c1ccc(C)c(OCC(=O)O)c1C 473491732 RRRGZRKLQWDQKD-UHFFFAOYSA-N 369.399 1.310 0 50 FDAA CNC(=O)CCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1 72431896 MSZFIIVEDUEIRE-OAQYLSRUSA-N 371.481 1.944 0 50 FDAA COc1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1OC 36067947 MFFGWSAENKZPKG-UHFFFAOYSA-N 363.439 1.610 0 50 FDAA O=C(c1ccc(-n2cncn2)nc1)N1CCN(c2ccc(Cl)cn2)CC1 126584475 AUNFYLGDVSDQEL-UHFFFAOYSA-N 369.816 1.673 0 50 FDAA CN(C)C(=O)C[C@@H](O)c1cc2n(n1)CCN(Cc1ccc(C(=O)O)cc1)C2 218954332 UGXGOYVCISCBMG-QGZVFWFLSA-N 372.425 1.109 0 50 FDAA O=C(NCCNS(=O)(=O)/C=C/c1ccccc1Cl)c1ccn[nH]1 253419337 NVHGMLZGELBXQX-UXBLZVDNSA-N 354.819 1.383 0 50 FDAA CCCCOCC(=O)Nc1c(N(C)C)cccc1S(=O)(=O)N(C)C 253428495 APMKVVKBGVUFGD-UHFFFAOYSA-N 357.476 1.758 0 50 FDAA O=C(c1cc2n(n1)CCO2)N1CCOC[C@H]1c1ncnn1-c1ccccc1 365666346 ZOTBWHCPTMEDFL-HNNXBMFYSA-N 366.381 1.070 0 50 FDAA Cn1cc([C@@H]2CN(C(=O)COc3ccc(F)cc3F)C[C@H]2CO)cn1 366776203 LFVIUCOINIGFIQ-JSGCOSHPSA-N 351.353 1.312 0 50 FDAA O=C(CCc1nc(-c2ncccn2)no1)N1CC[C@@H](Cc2ccncc2)C1 363710701 IAYXLPBVLYEMMF-HNNXBMFYSA-N 364.409 1.945 0 50 FDAA COC(C)(C)C(=O)N1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 71760255 UFJKFXZAYZUEPX-UHFFFAOYSA-N 358.442 1.751 0 50 FDAA Cn1c(O)nc(=O)c2nc(C[C@@H](O)c3cc4ccccc4o3)c(O)nc21 240551706 GVMFFIQYEDIBBT-SNVBAGLBSA-N 354.322 1.157 0 50 FDAA CN1C[C@@H](N)C[C@H]1C(=O)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1 215826349 WYONYAPYBMPBIW-BBRMVZONSA-N 359.861 1.646 0 50 FDAA CCS(=O)(=O)c1ccc2oc(CN3CC[C@@H](CC(N)=O)C3)nc2c1 377504922 MVHKYHFNVFYTPT-NSHDSACASA-N 351.428 1.319 0 50 FDAA CNC(=O)c1noc(CNc2nc(C3CCCC3)nc3c2cnn3C)n1 72162647 KEDCQTYEEXCEAS-UHFFFAOYSA-N 356.390 1.376 0 50 FDAA Cc1ccc2nc(C)cc(C(=O)NCCN3CCC[C@H](C(N)=O)C3)c2c1 77298271 XKLSQVNGOGKXQK-HNNXBMFYSA-N 354.454 1.779 0 50 FDAA Cc1cc(C(=O)N2CCOC[C@@H]2c2ncnn2Cc2ccccc2)cnn1 285672029 KVQWRQUYBNQSIA-QGZVFWFLSA-N 364.409 1.639 0 50 FDAA COC(=O)[C@@H]1CCN2C(=O)N(c3ccc(N4CCCCC4)nc3)C(=O)[C@@H]2C1 286154190 YTLAJZZAEAOMRU-HIFRSBDPSA-N 372.425 1.792 0 50 FDAA Cn1cnc(S(=O)(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)c1 286838381 WMSMVADMSYBZBA-LBPRGKRZSA-N 351.432 1.987 0 50 FDAA Cc1cnccc1N1CCCN(C(=O)c2nc(=O)c3ccccc3[nH]2)CC1 221412168 YWWHRSFSBGAPSO-UHFFFAOYSA-N 363.421 1.979 0 50 FDAA Cc1cc(C)n(CC(=O)NC2CCN(c3ccc(F)cc3)CC2)c(=O)n1 223454333 NSIYXQOBEDAMQM-UHFFFAOYSA-N 358.417 1.784 0 50 FDAA O=C(c1cncc(CC[C@H]2COc3ccccc3O2)n1)N1CCOCC1 220703354 PUNOYSJEHKGIMF-HNNXBMFYSA-N 355.394 1.722 0 50 FDAA O=C(Cn1c(C2CC2)nc2ccccc21)NCc1nc(-c2cnccn2)n[nH]1 426489381 PKONYMRRRLBZCP-UHFFFAOYSA-N 374.408 1.805 0 50 FDAA 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374.470 1.065 0 50 FDAA CN1CCN(C)C2(CCN(C(=O)[C@H]3CCOc4ccccc4C3)CC2)C1 244724413 MTLRXPAYKJNQNZ-SFHVURJKSA-N 357.498 1.866 0 50 FDAA Cn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2ccccc2N2CCCC2)C1 252523151 BZETYEJYXRQWNN-OKILXGFUSA-N 355.442 1.584 0 50 FDAA Nc1nc(O)cc([C@H]2C[C@@H](NC(=O)C3CCN(Cc4ccco4)CC3)C2)n1 253535240 ITAFUDNHFKJXNZ-OKILXGFUSA-N 371.441 1.632 0 50 FDAA COc1ccc2[nH]c(CCN(C)CCc3cnc(O)n(C)c3=O)nc2c1 253536584 WRRDIAVTMYQYKY-UHFFFAOYSA-N 357.414 1.088 0 50 FDAA CN1CCC(OCCCNS(=O)(=O)N(C)Cc2ccccc2)CC1 534665473 SMZQIJSVPDZPMU-UHFFFAOYSA-N 355.504 1.454 0 50 FDAA C[C@@H](CCNC(=O)N(C)Cc1ccc2nonc2c1)N1CCN(C)CC1 534647904 YPOVKNYYRNBRGV-AWEZNQCLSA-N 360.462 1.390 0 50 FDAA COc1nc2c(cc1C(=O)N1CC[C@H]3OCc4cnnn4[C@H]3C1)CCC2 299763009 FXNFYJYCGQZBQU-JKSUJKDBSA-N 355.398 1.156 0 50 FDAA CC(=O)c1cc(CC(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)cs1 299801686 XDRBSANNZRQPHW-UHFFFAOYSA-N 363.439 1.378 0 50 FDAA CCCn1ncnc1[C@@H](C)NC(=O)Nc1cc(-n2cnnn2)ccc1C 299802988 TWYWLKMBBASSEM-GFCCVEGCSA-N 355.406 1.855 0 50 FDAA O=C1NCCN(C(=O)NCCCN2CCCCC2)[C@H]1c1cccc(F)c1 584893140 CNOHNMUKQVXEKP-KRWDZBQOSA-N 362.449 1.884 0 50 FDAA Cc1cc(C(N)=O)c(-c2cccc(C(=O)N3CCC[C@H]3C(N)=O)c2)nc1C 584896959 YEWLSZNDTUYIQZ-INIZCTEOSA-N 366.421 1.554 0 50 FDAA O=C(O)[C@@H]1CCCN(S(=O)(=O)NCc2ccccc2-n2ccnc2)C1 670473376 PVTLYXCYEWAMAN-CQSZACIVSA-N 364.427 1.003 0 50 FDAA C[C@@H]1O[C@H](C)C[C@@H]1C(=O)NS(=O)(=O)c1cnn(-c2ccccc2F)c1 870214079 HIWQNMAPQBNBNY-MDZLAQPJSA-N 367.402 1.630 0 50 FDAA O=C1CC2(CCOCC2)N(Cc2nc(Cc3ccccc3)no2)CCN1 872287820 OJLANSKNDOTESI-UHFFFAOYSA-N 356.426 1.532 0 50 FDAA CNC(=O)[C@]12CCOC[C@H]1CN(C(=O)C1(c3ccccc3OC)CC1)C2 952851746 VBTDHPNXWADYEA-VLIAUNLRSA-N 358.438 1.338 0 50 FDAA COc1ccccc1N1CC[C@H](N(C)Cc2cnn3c2CNCC3)C1=O 952889865 NHBNBBISCNVLQM-INIZCTEOSA-N 355.442 1.232 0 50 FDAA CCn1cc(C(=O)N[C@H]2CCOC[C@H]2Nc2ccncn2)c(C2CC2)n1 952889129 VQHBVGQCRXRVLF-LSDHHAIUSA-N 356.430 1.570 0 50 FDAA CC1CCC(N2C[C@H](C(=O)NCc3nc(C(=O)O)cs3)CC2=O)CC1 268901751 GWCFVJJSTJTELQ-MOENNCHZSA-N 365.455 1.885 0 50 FDAA NCc1nc(C2CCN(C(=O)[C@@H](N)Cc3c[nH]c4ccccc34)CC2)n[nH]1 1875266522 DVJKNUQOFQPPAC-HNNXBMFYSA-N 367.457 1.021 0 50 FDAA O=S(=O)(N=c1nc[nH]n1-c1ncccn1)c1cc(F)ccc1Cl 1875312402 AWMIFULBPHRCOR-UHFFFAOYSA-N 354.754 1.073 0 50 FDAA O=C([C@H]1CCc2ccccc21)N1C[C@@H](n2cc(-c3cn[nH]c3)nn2)CO1 1875339315 ZXKPICFOBHKUJL-ZBFHGGJFSA-N 350.382 1.713 0 50 FDAA O=C(c1n[nH]c2c(O)ncnc12)N1CCN(Cc2ccccc2Cl)CC1 1875403049 PNMSJNJCMUYMPJ-UHFFFAOYSA-N 372.816 1.670 0 50 FDAA CNC(=O)C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2OC)C[C@H]1O 1875403865 HWJAJLDCBPBIJT-RDTXWAMCSA-N 368.433 1.931 0 50 FDAA Cc1nc(C(=O)N2CCOCCC23CCC3)nc(N2CC[C@@H](N)C2)c1C 1875401019 QJQSGQFMJQDUOB-OAHLLOKOSA-N 359.474 1.416 0 50 FDAA CNC(=O)C[C@@H]1CN(C(=O)c2c(Br)cccc2OC)C[C@H]1O 1875404188 YVAVFMWITIEOCL-MWLCHTKSSA-N 371.231 1.027 0 50 FDAA Cn1c(O)nnc1[C@@H]1[C@H](C2CC2)CCN1C(=O)Cn1cc(C2CC2)cn1 1875401258 HBCOJIRNQGRZCM-HOCLYGCPSA-N 356.430 1.594 0 50 FDAA CC(C)C1=NO[C@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)C(=O)C2)C1 952973931 GWXSUQLJMXRCCX-KRWDZBQOSA-N 373.409 1.387 0 50 FDAA CN(C)c1ccc(CC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2O)cc1 1565508096 VXXSLRCTCBYTEA-PMACEKPBSA-N 368.481 1.442 0 50 FDAA CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)CN2C(=O)c1cccc(N(C)C)c1 1565526282 IOJVZJCCRXVYCL-QAPCUYQASA-N 358.486 1.377 0 50 FDAA Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC=C(F)C2)[C@H](C)O)cc1 272707974 XLWMWTHOZAXYAN-WFASDCNBSA-N 356.419 1.108 0 50 FDAA O=C(Cc1cncs1)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 188771082 WOCRURDCRMROSX-QGZVFWFLSA-N 370.478 1.635 0 50 FDAA CC(C)[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1)N1CCOCC1 192802940 XMEJSFMNYBMEAH-RTBURBONSA-N 373.497 1.764 0 50 FDAA O=C(CCn1ccc(O)nc1=O)N1CCC([C@@H](O)c2cccs2)CC1 1506407658 PQJWCURZPXVROM-MRXNPFEDSA-N 363.439 1.373 0 50 FDAA O=C(c1nc2c(s1)CCCC2)N1CCCN(C(=O)[C@@H]2CCOC2)CC1 1529179325 XASHLXFQFLIELA-CYBMUJFWSA-N 363.483 1.733 0 50 FDAA Cc1cc(C[C@@H]2CN(C(=O)CCc3ccc4c(c3)OCO4)C[C@@H]2O)on1 1529105133 WRLWHXQFPVYETM-ZBFHGGJFSA-N 358.394 1.706 0 50 FDAA Cc1nc(C)c(C(=O)N2CCCN(C(=O)c3n[nH]c4c3CCC4)CC2)s1 1529158687 ISCRERUMTFHVLX-UHFFFAOYSA-N 373.482 1.960 0 50 FDAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2ccc(C(C)(C)C)cc2)C[C@@H]1O 1529105067 WDMQENRCGGTTGF-RDJZCZTQSA-N 354.516 1.668 0 50 FDAA O=C(c1cncc(N[C@H]2COC[C@H]2Cc2ccncc2)n1)N1CCCC1 1704337843 FEZZZYPOPZETFZ-WBVHZDCISA-N 353.426 1.777 0 50 FDAA NC1CCN(S(=O)(=O)c2cc(Br)c(F)cc2F)CC1 237875890 VSAUCJLIDNBKRU-UHFFFAOYSA-N 355.204 1.839 0 50 FDAA CC1(C)O[C@H]2[C@H](NC(=O)OCc3ccccc3)C[C@H](OCCO)[C@H]2O1 34029974 OCBUGPAQVZSMFX-FXUDXRNXSA-N 351.399 1.583 0 50 FDAA in-vitro Cc1nn(CCO)cc1CN1C[C@H](Cc2ccc3ccccc3n2)[C@@H](O)C1 1616079561 XGSMTHJTDHYKIX-UWJYYQICSA-N 366.465 1.767 0 50 FDAA Cc1ccc(S(=O)(=O)N2CCC(CO)(CN(C)C)CC2)cc1Cl 1772701263 DCIASPLYSVGZPU-UHFFFAOYSA-N 360.907 1.973 0 50 FDAA Cc1cc(-c2nn(C)c(Cl)c2CN2CCC([C@@H](O)CO)CC2)no1 1772712204 JQJHNHRRCZYMJW-AWEZNQCLSA-N 354.838 1.602 0 50 FDAA COC(=O)CN(C)Cc1ccc(OC)c(OC[C@@H](O)CN(C)C(C)C)c1 11662930 VUWJSSRBQIFIQQ-INIZCTEOSA-N 368.474 1.380 0 50 FDAA CN(Cc1cnccn1)C(=O)[C@H]1CCC(=O)N(CCc2ccccc2)C1 12439059 SYYPQLVBQCCVGO-KRWDZBQOSA-N 352.438 1.916 0 50 FDAA Cc1ccc(N(CCCC(=O)N2CCN(C)CC2)S(C)(=O)=O)cc1C 13678091 UXXLALYFSMGKTO-UHFFFAOYSA-N 367.515 1.624 0 50 FDAA CN(C[C@@H]1Cc2ccccc2O1)C(=O)c1cn(CCN2CCCCC2)nn1 14980421 CNRTZMHMAKWWNS-KRWDZBQOSA-N 369.469 1.840 0 50 FDAA O=C1CCC(CCC(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)=NN1 15063758 SWGLXKNEVWXSCV-MRXNPFEDSA-N 360.433 1.953 0 50 FDAA O=C(CCn1cnnn1)NCc1cccnc1Oc1ccc(F)c(F)c1 15064059 IGDZSCLYEOZNDL-UHFFFAOYSA-N 360.324 1.845 0 50 FDAA Cc1cccc(CN2CCC[C@@](O)(CN3CCC4(CC3)OCCO4)C2=O)c1 15078243 WCYRYMIOGIEWAM-HXUWFJFHSA-N 374.481 1.687 0 50 FDAA COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1c(-c2ccccc2)n[nH]c1C 1857728002 JCNACOAVZANINJ-AWEZNQCLSA-N 353.382 1.622 0 50 FDAA CN(Cc1ccccc1Br)C(=O)CN1C(=O)[C@@H]2C[C@H]2C1=O 134796249 OWCHZYHKTRPVKK-GHMZBOCLSA-N 351.200 1.412 0 50 FDAA COC(=O)c1ccccc1-n1ncc(N2CCO[C@H]3C[C@@H]32)c(Cl)c1=O 366171167 HOFSHWQFWNOURI-JSGCOSHPSA-N 361.785 1.650 0 50 FDAA C[C@@H](NC(=O)c1cc2ccccc2s1)C(=O)N1CCS(=O)(=O)CC1 264226284 ZIPKTTFFTMHJIB-LLVKDONJSA-N 366.464 1.277 0 50 FDAA COc1cc(C)c(CN(C)C(=O)[C@@H]2Cn3c(C)nnc3CN2)cc1OC 818048961 OUGCXYBOOWJBBO-AWEZNQCLSA-N 359.430 1.043 0 50 FDAA O=C(O)[C@@]1(CC2CC2)CN(S(=O)(=O)c2ccc(Cl)cc2)CC[C@@H]1O 1704315250 YSIKXQXPRBBLKO-HOCLYGCPSA-N 373.858 1.966 0 50 FDAA O=C1CN(C(=O)CCC(=O)N2CCCCC[C@H]2CO)c2ccccc2N1 911963211 AZKXLFLRFAHOSF-AWEZNQCLSA-N 359.426 1.515 0 50 FDAA CNC(=O)COc1cccc(CC(=O)NC[C@]23CCCN[C@H]2CCC3)c1 2325779139 IPEPIRLRHLTJKD-PXNSSMCTSA-N 359.470 1.392 0 50 FDAA CCOC(=O)[C@]1(C)COC[C@H]1NC(=O)N[C@@H](CO)CC1CCCCC1 2325826737 LAQOSVFCVYFPFF-IIDMSEBBSA-N 356.463 1.585 0 50 FDAA NC(=O)c1ccccc1S(=O)(=O)Cc1ncsc1Br 2325827375 DOZASQZFDBCIPF-UHFFFAOYSA-N 361.242 1.978 0 50 FDAA Cc1cc(Cl)c(S(=O)(=O)Nc2ccccn2)cc1OCC(N)=O 645299 KCMVDXWJEYEPFA-UHFFFAOYSA-N 355.803 1.708 0 50 FDAA aggregator Cn1c(=O)c2c(ncn2CCC(=O)Nc2ccccc2Cl)n(C)c1=O 4732109 WQMQLCHBMQEHGB-UHFFFAOYSA-N 361.789 1.116 0 50 FDAA CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(N)=O 4762839 OJANTFFQNUJOQL-RYUDHWBXSA-N 361.508 1.649 0 50 FDAA O=C(Nc1nccs1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 6588790 JLBLWRQGAFPIRB-UHFFFAOYSA-N 371.415 1.555 0 50 FDAA COc1ccc2c(c1)C[C@H](C(=O)N1CCN(Cc3nccn3C)CC1)CO2 106031321 YISMFKUUPPKKGU-INIZCTEOSA-N 370.453 1.324 0 50 FDAA O=C(c1c[nH]c2ncnn2c1=O)N1CCCC[C@@H]1CCc1ccc(O)cc1 102717232 FAZNSZPWQQSNDU-CQSZACIVSA-N 367.409 1.751 0 50 FDAA COCCn1cncc1CNC(=O)[C@H]1CCCN1C(=O)C1CCCCC1 55244679 VMKYACNGDIMYQF-QGZVFWFLSA-N 362.474 1.717 0 50 FDAA CNC(=O)C[C@H](C)N(C)Cc1cccc(C(=O)Nc2cn(C)nc2C)c1 67821105 PAAMPGSAXQNVRM-ZDUSSCGKSA-N 357.458 1.937 0 50 FDAA Cc1ccc2ncc(C(=O)N3CCO[C@@H](c4cccc(O)c4)C3)c(=O)n2c1 135274967 DTDYBHNGCZTPMU-QGZVFWFLSA-N 365.389 1.922 0 50 FDAA COc1ccccc1OCc1cc(C(=O)N2CCNC(=O)[C@@H]2C(C)C)n[nH]1 67820341 LALNIYYLLBLZSA-KRWDZBQOSA-N 372.425 1.594 0 50 FDAA O=C(NCC1CCN(CCO)CC1)N1CCN(Cc2cccs2)CC1 111869374 YERMXTJYGJBFGC-UHFFFAOYSA-N 366.531 1.280 0 50 FDAA Cc1ccc(N([C@@H](C)C(=O)N2CCOCC2)S(C)(=O)=O)cc1Cl 65363343 JLCDKXWRMGNNDH-LBPRGKRZSA-N 360.863 1.662 0 50 FDAA C[C@H](CN(C)C1CCN(CCc2ccccn2)CC1)CS(C)(=O)=O 119316816 FCKLIOOIZULLEH-MRXNPFEDSA-N 353.532 1.701 0 50 FDAA Cc1nnnn1-c1ccc(CC(=O)NCc2cn3ccsc3n2)cc1 20255255 JULZKDJBWKPUCB-UHFFFAOYSA-N 353.411 1.539 0 50 FDAA CN1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccccc2)c2ccccc2)CC1 20654230 KAROQMOPUYVYMY-SFHVURJKSA-N 373.478 1.480 0 50 FDAA Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(N(C)C)cn3)C2=O)n(C)n1 332474077 XRHFLSGGNADJTK-OAHLLOKOSA-N 356.430 1.115 0 50 FDAA CCN1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)CC1 20608810 RGSCFBRKRWUMCW-GFCCVEGCSA-N 364.515 1.548 0 50 FDAA Cc1nc(C)c(CC(=O)N2CC[C@@H](c3sccc3C)[C@H](O)C2)c(=O)[nH]1 67513608 SVTGUBCDHYWBOT-UKRRQHHQSA-N 361.467 1.676 0 50 FDAA COCCCN(C)[C@@H]1c2ccccc2C2(CCN(CC(=O)O)CC2)[C@H]1O 20321393 INHNBCMVDMYUDF-MOPGFXCFSA-N 362.470 1.489 0 50 FDAA O=C1CCCN1CC(=O)N1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 11662208 IKQLNLLEYWQKPT-HNNXBMFYSA-N 359.426 1.483 0 50 FDAA COc1ccc(F)c(C(=O)NCCn2c(=O)[nH]c3ccccc32)c1OC 252498789 RLCTXXCOCHDOGK-UHFFFAOYSA-N 359.357 1.916 0 50 FDAA O=C(NCCN1CCN(C(=O)[C@@H]2CCCCO2)CC1)c1ccccc1F 122879869 USRCWBDVLNEIPY-KRWDZBQOSA-N 363.433 1.269 0 50 FDAA CCc1nnc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(C(C)(C)C)C(=O)[C@@H]24)O3)o1 77342915 HTYKRLDIWXJNPH-IJDPYKPMSA-N 374.441 1.171 0 50 FDAA Cc1cnc(CNC(=O)[C@H]2CCCN(C3CCN(C(C)C)CC3)C2)cn1 71746653 ICRPUNQKMONVRJ-KRWDZBQOSA-N 359.518 1.986 0 50 FDAA Cc1cc(C)n2c(C(=O)NC[C@@H]3CCCN(c4ncccn4)C3)nnc2n1 215976904 ARWFCJINGBNZQV-AWEZNQCLSA-N 366.429 1.178 0 50 FDAA O=C(c1cnc(SCc2ccccc2)nc1O)N1CCOC[C@@H](O)C1 77419206 XHYIYWCDZABNAN-ZDUSSCGKSA-N 361.423 1.308 0 50 FDAA Cc1cccc2nc(CCC(=O)N3CCOC[C@@H]3c3ncnn3C)[nH]c12 367637290 WEGWWHXALBFXSD-CQSZACIVSA-N 354.414 1.533 0 50 FDAA CN(Cc1ccon1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CC(C)(C)C)C(=O)[C@H]13)O2 77343133 ADBAWQPMWNRQEZ-YGTYGHESSA-N 359.426 1.461 0 50 FDAA CC(C)(CNC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C1(O)CCOCC1 333899378 INLVJPNPCDJTEG-RRFJBIMHSA-N 352.475 1.811 0 50 FDAA CN1C(=O)C[C@H](C(=O)NCCc2cccc(Cl)c2)[C@H]1c1cnn(C)c1 373789753 XWJGQEOKRSTRHK-DOTOQJQBSA-N 360.845 1.952 0 50 FDAA Cc1cc(-c2cn3cc(C(=O)N[C@@H]4CCCOC4)nc3c(=O)n2C)c(C)o1 72481647 NFHMAPCMZRLEAE-CYBMUJFWSA-N 370.409 1.819 0 50 FDAA CCc1nccn1CCCNc1nc(N(C)C)nc2c1CCN(C(C)=O)C2 77322531 RCFRXEWBWXWHRD-UHFFFAOYSA-N 371.489 1.708 0 50 FDAA O=C(CCn1cc(Cl)cn1)N[C@@H]1CCOC[C@H]1OCc1cscn1 219468035 DEEDHMRIWWOMSO-ZIAGYGMSSA-N 370.862 1.874 0 50 FDAA COCCOC(=O)N1CCC[C@@H](c2nnc(CN3CCCCC3)n2C)C1 77388172 LKRFGJPRKZGMAP-OAHLLOKOSA-N 365.478 1.763 0 50 FDAA CN(C)C(=O)C[C@@H](O)c1cc2n(n1)CCN(C/C=C/c1ccccc1)C2 221194321 XSSSXCBGETZHAK-MBNRZODZSA-N 354.454 1.924 0 50 FDAA Cc1nn(C)cc1[C@@H](C)NC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 176354014 GWXAQMKZMNFTRU-BXUZGUMPSA-N 359.434 1.018 0 50 FDAA Cc1cc(N2CCC(NC(=O)N3CCN4CCC[C@H]4C3)CC2)nc(C)n1 176883314 WXUWXXAIIZVMBS-KRWDZBQOSA-N 358.490 1.552 0 50 FDAA Cc1ncc(S(=O)(=O)NCc2ccncc2OC[C@@H]2CCOC2)s1 288727837 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362.397 1.492 0 50 FDAA C=CC(=O)Nc1cccc(C(=O)N2CC[S@@](=O)C[C@H]2c2cnn(C)c2)c1 867730710 UTZBBMZHYSOWJV-YHAMSUFESA-N 372.450 1.490 0 50 FDAA C[C@H]1c2ccc(O)cc2CCN1C(=O)c1ccc(NS(C)(=O)=O)nc1 1875274547 HUNZDCZFKWMPHD-NSHDSACASA-N 361.423 1.918 0 50 FDAA C[C@@H](O)[C@@H](CO)n1cnc2c(N(C)Cc3cccc4[nH]ccc34)ncnc21 1875269242 OWCJJFQMICWAKD-MLGOLLRUSA-N 366.425 1.858 0 50 FDAA Cc1cc(C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)c3cscn3)C2)n[nH]1 1875280380 ASJYCYBYEVDTBW-DOMZBBRYSA-N 359.455 1.942 0 50 FDAA O=S(=O)(NCc1cnc(O)c2ccccc12)c1cnn2c1CCCC2 1875300948 XFTXIZUNLHDIKF-UHFFFAOYSA-N 358.423 1.952 0 50 FDAA COCCCC(=O)N1CC2(CN(C)C[C@H]2c2ccnc(N3CCCC3)n2)C1 1875395348 BPCOKUNLMQORMM-INIZCTEOSA-N 373.501 1.361 0 50 FDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](N[C@H](C)c3ccc(F)cn3)C2)n1 1875397613 HFEXSHBDXMDOKO-UKRRQHHQSA-N 372.448 1.917 0 50 FDAA COC[C@@H](C)N(Cc1cccc2ccccc12)C(=O)Cn1[nH]nnc1=N 952973878 YPRDJPARLVDVSB-CYBMUJFWSA-N 354.414 1.303 0 50 FDAA O=C(/C=C/c1cc(CO)cs1)NC[C@H](c1cccnc1)N1CCOCC1 952985840 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Cc1nnnn1-c1cccc(NC(=O)[C@H]2CC23CCS(=O)(=O)CC3)c1 252522983 BOVHLIUAFMOMOX-CQSZACIVSA-N 361.427 1.124 0 50 FDAA Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3cc(Cl)cnc3N)C2)cn1 328631672 RGKHAHRFWATYEK-ZDUSSCGKSA-N 368.846 1.863 0 50 FDAA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)COC[C@@H]1CCCO1 328626575 LWLIZOXXDFNUMF-VDZJLULYSA-N 364.490 1.457 0 50 FDAA COCCOc1cccc(CN[C@@H]2CCCN(c3nccnc3O)C2)c1 328627858 GRBNZNDEQSCBFA-MRXNPFEDSA-N 358.442 1.966 0 50 FDAA Cc1cnn(CCC(=O)N2CCOC[C@@H]2c2ncn(CC(F)(F)F)n2)c1 329046300 JNVXVQIOJIOEIE-GFCCVEGCSA-N 372.351 1.336 0 50 FDAA COc1cccc(CN2CCN(C(=O)[C@H]3CCCCCN3C)CC2=O)c1 77535836 HRUZJDGYJQIPQE-GOSISDBHSA-N 359.470 1.740 0 50 FDAA Cn1ncc(I)c1C(=O)N[C@@H]1CCCc2c[nH]nc21 331519458 KDOMZZLJUMOQPK-SECBINFHSA-N 371.182 1.555 0 50 FDAA O=C(NCc1ccccc1)N1C[C@H]2C(=O)N(CC3CC3)C[C@@]2(C(=O)O)C1 72417940 CQEUGBPTZMNTFO-HNAYVOBHSA-N 357.410 1.151 0 50 FDAA O=C(c1n[nH]c2c1CCC2)N1CCc2ncnc(N3CCCC3)c2CC1 72432221 YARHOVBEVSYTIV-UHFFFAOYSA-N 352.442 1.530 0 50 FDAA O=C(CN1CC=C(c2cnn(-c3ccccc3)c2)CC1)N1CCOCC1 35404098 YOVGKDNFZISZAU-UHFFFAOYSA-N 352.438 1.820 0 50 FDAA O=C(C[C@@H]1CNCCO1)N1CCC(c2cc(N3CCCC3)ncn2)CC1 72412020 PBFJORMFSZYBFH-MRXNPFEDSA-N 359.474 1.161 0 50 FDAA CCc1nnc2ccc(N[C@H]3CCN(C(=O)Cc4ccccc4)C3)nn12 367832092 YTPQBHSDMAULGP-HNNXBMFYSA-N 350.426 1.942 0 50 FDAA Cn1cc(C(=O)N2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cn1 71707927 OFBDNUAZCWZDOW-INIZCTEOSA-N 373.501 1.359 0 50 FDAA C[C@H](CNC(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21)Cc1cccs1 333138467 CRKSWEFLXWCVPK-QEJZJMRPSA-N 372.512 1.524 0 50 FDAA CN(C)CCn1ccc(NC(=O)N2CCC3(C2)Oc2ccccc2O3)n1 377582219 IXYTXCDNQKRTHI-UHFFFAOYSA-N 357.414 1.850 0 50 FDAA Cc1nccn1CC(=O)N1CCCN(Cc2noc(C(C)(C)C)n2)CC1 333968243 SSUXBMDRERJQSE-UHFFFAOYSA-N 360.462 1.607 0 50 FDAA CN(C)C[C@@]1(O)CCCN(C(=O)C(C)(C)NC(=O)c2cccs2)C1 72165416 NHIQZKJXQWDQDC-KRWDZBQOSA-N 353.488 1.172 0 50 FDAA COc1c(F)ccc(F)c1C(=O)N1CCC[C@H](N(C)CC(=O)O)CC1 262839268 SZMUBPDZJYYCIY-NSHDSACASA-N 356.369 1.985 0 50 FDAA 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C[C@@H]1[C@@H](NC(=O)NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)CCC[C@H]1C 239297064 DRLYVIUUSUPUIZ-SEBNEYGDSA-N 361.442 1.588 0 50 FDAA COc1cccc(N2CCN(C(=O)[C@H](C)Cn3nc(C)nc3C)CC2=O)c1 82087805 JEJGBNBLGJMDNX-CYBMUJFWSA-N 371.441 1.415 0 50 FDAA O=C(C1CCC1)N1CCC(C(=O)N2CCOc3ccc(CO)cc3C2)CC1 221177649 NIKALVYMRGIERJ-UHFFFAOYSA-N 372.465 1.939 0 50 FDAA O=C1N(CC2CC2)CCC[C@@]1(O)CN1CCN(c2ccc(F)cc2)CC1 20600786 DMEFUAGVDQRNFT-HXUWFJFHSA-N 361.461 1.711 0 50 FDAA CC(C)C[C@@H](NC(=O)c1ccn2nnnc2c1)c1nnc2ccccn12 223231021 WWTIJRLYBOGKJB-CYBMUJFWSA-N 350.386 1.684 0 50 FDAA Cc1cc(C(=O)N[C@H](c2ccccc2)c2nnc(N)s2)c(=O)n(C)c1C 426372136 AHCJVPDVHZPKQQ-CQSZACIVSA-N 369.450 1.955 0 50 FDAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)NCc1ccc(-n2cncn2)cc1 426563457 OFBHOEMCCAQEQS-KRWDZBQOSA-N 370.457 1.810 0 50 FDAA CN(C)c1cncc(N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)n1 95370145 PKPVSLGVCADOLJ-MRXNPFEDSA-N 373.501 1.931 0 50 FDAA CSCC[C@H](O)c1nc(C)nn1-c1cc(S(N)(=O)=O)ccc1F 96139343 SWWHJQRELZMBAE-LBPRGKRZSA-N 360.436 1.149 0 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360.458 1.868 0 50 FDAA Cc1ccc(C2(C(=O)N3C[C@@H](c4c[nH]nn4)[C@@H](CC(=O)O)C3)CC2)cc1 299763743 QPODXWJCEIMQBE-DZGCQCFKSA-N 354.410 1.862 0 50 FDAA COc1ccc2[nH]c(CNC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)nc2c1 299763974 ZOUDJNMCRQDDKP-LBPRGKRZSA-N 356.426 1.979 0 50 FDAA O=C(CCc1ccncc1)NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 828003728 ZHAKHAFZEZDLSO-CCZBSFLLSA-N 352.442 1.865 0 50 FDAA O=C(NCCc1cn2ccccc2n1)[C@@H]1CC(=O)N(Cc2cccnc2)C1 827763058 DYJMBLSJUKXBIE-MRXNPFEDSA-N 363.421 1.437 0 50 FDAA COCCN1C[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)CCC1=O 824412480 XEGCSKLHCPXYKA-HNNXBMFYSA-N 363.433 1.359 0 50 FDAA CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccccc1CN1CCCC1 828108558 DRBIBAURXOZTDU-INIZCTEOSA-N 351.472 1.645 0 50 FDAA CN1CCN(c2cc3c(nn2)CCN(C(=O)[C@H]2C[C@@H]2C(F)F)C3)CC1 952892897 JKHHBZOCJGEERF-STQMWFEESA-N 351.401 1.014 0 50 FDAA CC12CC(NC(=O)c3cccc(Cn4ccnn4)c3)(C1)C1(CCOCC1)O2 1875297888 HOYPPPPYAUXMRF-UHFFFAOYSA-N 368.437 1.927 0 50 FDAA CC[C@@H](C(=O)Nc1cc(NC(=O)COC)ccc1Cl)N1CCOCC1 952872317 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1875327719 HXNOIUNLACUVFV-MRXNPFEDSA-N 353.394 1.151 0 50 FDAA CC[C@@H](C)c1ccccc1OCC(=O)N1CCc2c(c(C(N)=O)nn2C)C1 952980682 QWZOQZOQJOELDL-CYBMUJFWSA-N 370.453 1.996 0 50 FDAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1nn2cccnc2c1Cl 1875400959 OQQBQLYOMBBMIV-QJPTWQEYSA-N 360.805 1.149 0 50 FDAA CCn1ncnc1C(=O)N[C@]12CCC[C@@H]1N(C(=O)C[C@@H]1C[C@@H]1C)CCC2 1875407065 SDJUYRCVHKPCGD-XLPNERPQSA-N 359.474 1.988 0 50 FDAA CCc1ccccc1N1C[C@H](C(=O)N2CCO[C@@H](CC(=O)O)C2)CC1=O 269048429 UJDJNNAJQOEROB-CABCVRRESA-N 360.410 1.304 0 50 FDAA Cc1nn(C)c2ncc(CN[C@H]3CCCC[C@H]3n3cc(CO)nn3)cc12 276777181 WMZZEGHGBJNHKQ-DLBZAZTESA-N 355.446 1.634 0 50 FDAA C[C@@H]1CCc2ccccc2N1S(=O)(=O)NC(=O)c1cnn2cccnc12 729906778 MUZQFZZUQZKLBY-GFCCVEGCSA-N 371.422 1.545 0 50 FDAA CCS(=O)(=O)N(C)C1CCN([C@H]2CCc3ccccc3NC2=O)CC1 192103405 DSNUUAQPEPMXQV-KRWDZBQOSA-N 365.499 1.686 0 50 FDAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)CCc3ccc(O)nn3)C1)CC2 1704344408 POMBEMHPCJUJTP-IBGZPJMESA-N 353.426 1.720 0 50 FDAA Fc1cnc(N[C@H]2COC[C@H]2Cc2ccncc2)nc1N1CCOCC1 1704340349 GUNFMUFTEFOPAR-ZBFHGGJFSA-N 359.405 1.517 0 50 FDAA CN1CCC[C@]2(C(=O)O)CCN(c3ccc(Cl)c(C(=O)O)n3)C[C@@H]12 1704326165 ZGYCDPHSCATPLE-BZNIZROVSA-N 353.806 1.809 0 50 FDAA O=C(c1ccc(Cl)o1)N1C[C@@H]2CN(Cc3nccs3)C[C@]2(CO)C1 1772815683 SFDNLXFHYLCNAW-MEDUHNTESA-N 367.858 1.956 0 50 FDAA Cc1noc(C)c1-c1nc2c(s1)CC[C@H](C(=O)NCc1nc(O)n[nH]1)C2 1772807043 PCKYEMBJJUWASC-VIFPVBQESA-N 374.426 1.660 0 50 FDAA COC(=O)CCNC(=O)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 12058594 YALYBSWYSGPBEQ-AWEZNQCLSA-N 350.390 1.286 0 50 FDAA O=C(Cn1nc2ccccc2n1)N[C@H]1CC(=O)N(CCc2ccccc2)C1 12208251 IZSDYSUCXPQLAT-INIZCTEOSA-N 363.421 1.391 0 50 FDAA CC(C)CC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 12321057 CLLINHXQEUXWOZ-UHFFFAOYSA-N 368.484 1.570 0 50 FDAA CN(C)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc(-n2cccn2)c1 14963404 BVUOKFVYHQYMOS-HNNXBMFYSA-N 363.443 1.082 0 50 FDAA COc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)NC(C)C 17070381 SJDHQTLPLZBTJH-GFCCVEGCSA-N 356.444 1.291 0 50 FDAA Cc1c(C(=O)N[C@H]2CCN(C(=O)C3CC3)C[C@@H]2C)cnn1-c1ccncc1 1857527570 NBIZJMWUFJLBMJ-UGSOOPFHSA-N 367.453 1.953 0 50 FDAA Cc1cc(C)c(-c2nc([C@@H](C)O)nn2-c2ccc3nnc(C)n3n2)cn1 1857668612 OXFCRBOTTMPXOJ-LLVKDONJSA-N 350.386 1.746 0 50 FDAA COCCCCN1CCC(OC)(C(=O)NCCc2nnc(C)s2)CC1 1857673847 ZVDPKTIBIVPUAF-UHFFFAOYSA-N 370.519 1.413 0 50 FDAA Cc1nc2ccc(C(=O)N3C[C@@H]4OCCC(=O)N(C)[C@H]4C3)cc2nc1C 1857701274 NRGINVNGFPMZNV-IRXDYDNUSA-N 354.410 1.318 0 50 FDAA CCn1nccc1CN1CCC[C@@H](n2ncc(N3CCOCC3)cc2=O)C1 328605812 PHAFWRIQYFJKIH-QGZVFWFLSA-N 372.473 1.133 0 50 FDAA Cc1nn(C)cc1CN1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1c(C)noc1C 248159039 WTHCNNMRRABHGB-WBVHZDCISA-N 357.458 1.956 0 50 FDAA O=C(CCOC1CCOCC1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 155809245 HODKGEHKAGCAKU-UHFFFAOYSA-N 372.469 1.793 0 50 FDAA O=C(O)CNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 262439731 ANMWCFSMHDGWLY-NSHDSACASA-N 363.819 1.651 0 50 FDAA COC(=O)[C@H]1CC12CCN(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)CC2 265080250 RFMSZFYWQBLKOP-IAGOWNOFSA-N 370.449 1.837 0 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Cc1ncc(CN2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)n1C 2356152652 UEGHASQUVSRFAU-YVWKXTFCSA-N 360.502 1.989 0 50 FDAA C[C@]1(O)CC2(CCN(C(=O)c3cc(F)ccc3Cl)CC2)OC[C@@H]1O 2356158937 FUJPCASHSSJJJP-HOCLYGCPSA-N 357.809 1.986 0 50 FDAA CC(=O)N1C[C@@H](O)C[C@H]1c1nc(-c2ccnc(N3CCCCC3)c2)no1 225575029 DTIQFZNBSOIZEX-GJZGRUSLSA-N 357.414 1.776 0 50 FDAA Cn1c(CN2CCC[C@@H](CN3CCOCC3)C2)nc2ccccc2c1=O 112201875 PTJUTFJBUPTAQI-INIZCTEOSA-N 356.470 1.478 0 50 FDAA COCCN1CCC[C@H](CNC(=O)CCNC(=O)c2ccc(F)cc2)C1 55308391 HRWHKUOWXWHKNV-OAHLLOKOSA-N 365.449 1.420 0 50 FDAA COc1ccc(C(=O)NCCCN2CCOCC2)cc1Br 22108578 MWYVFCIUJBGGQL-UHFFFAOYSA-N 357.248 1.910 0 50 FDAA CCN(C(=O)C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCN(Cc2ccccc2)C1 248720589 HREICAWNQORRKY-QZTJIDSGSA-N 364.511 1.934 0 50 FDAA O=C(c1nccnc1C(=O)N1CCC[C@@H](c2ccn[nH]2)C1)N1CCCCC1 67490360 NOHYAGFRKJUFCS-CQSZACIVSA-N 368.441 1.846 0 50 FDAA C[C@H]1C[C@H](NC(=O)[C@@H]2[C@@H](C)OCC(=O)N2Cc2ccccc2)CN1C1CC1 332782820 XOCMYGOKMKSNBK-MQJTVSLUSA-N 371.481 1.544 0 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1.483 0 50 FDAA O=c1c2c3c(sc2ncn1C[C@@H]1COc2ccccc2O1)CNCC3 77419672 ZOJYWRSWQXMHPD-LLVKDONJSA-N 355.419 1.944 0 50 FDAA Cc1ccc2nc(N3CCC[C@H](O)C3)c(CN3CCN(C)C(=O)C3)cc2c1 72476305 LTWHOKAKJKCNBK-SFHVURJKSA-N 368.481 1.778 0 50 FDAA CC(=O)N1CCc2c(nc(-c3cccnc3)nc2NCC(=O)NC(C)C)C1 71748006 PXODGJHTXARLTH-UHFFFAOYSA-N 368.441 1.380 0 50 FDAA CCN1CC2(CCN(C(=O)[C@@H]3Cc4ccccc4C(=O)N3)CC2)CC1=O 72477207 XHLKMUYXQSUGPA-INIZCTEOSA-N 355.438 1.202 0 50 FDAA Cc1cc(-n2cccn2)ccc1CN1CCn2nc([C@H](O)CO)cc2C1 220198844 OXIRYEXVOBZRKV-LJQANCHMSA-N 353.426 1.419 0 50 FDAA COc1ccc2c(C)c(C(=O)N[C@@H]3COCC[C@@H]3OCC(=O)O)oc2c1 223429851 CKSDKRJCJZWAMF-KGLIPLIRSA-N 363.366 1.738 0 50 FDAA CN1CCOC[C@@H](CNC(=O)Nc2ccc3c(c2)C(=O)N(C2CC2)C3=O)C1 426666932 CWPLECCCVYXJQA-LBPRGKRZSA-N 372.425 1.145 0 50 FDAA Cc1ccc2nc(CCN=c3cc([C@H]4CCOC4)nc(N)[nH]3)[nH]c2c1C 426711186 CUWDGAHCNLQTKW-ZDUSSCGKSA-N 352.442 2.132 0 50 FDAA CCn1nc(C)cc1C(=O)N[C@@H]1COCC[C@@H]1OCc1cscn1 220266532 LUENGTCUEXIVNM-HIFRSBDPSA-N 350.444 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COc1cccc(-c2n[nH]c3c2CN(c2cc(NCCO)ncn2)CC3)c1 67603548 JAPXUKWPUWENKN-UHFFFAOYSA-N 366.425 1.842 0 50 FDAA CS(=O)(=O)c1ccc(CN2CCN(Cc3ccccc3CO)CC2)cc1 55325130 CNYXFHSZAREAKK-UHFFFAOYSA-N 374.506 1.900 0 50 FDAA CS(=O)(=O)N1CCC[C@H]1C(=O)NCCc1nc2ccccc2s1 52611030 RKYZBFUPWLDTDJ-LBPRGKRZSA-N 353.469 1.379 0 50 FDAA CCn1ncc(S(=O)(=O)N2CCC(O)(c3ccc(C)cn3)CC2)c1C 67724547 PZIPDAUGSWUIII-UHFFFAOYSA-N 364.471 1.587 0 50 FDAA CCc1cn[nH]c1[C@@H]1CCCN(C(=O)c2cnn3cc(CCO)cnc23)C1 67740538 LSRNNETVHZMONF-OAHLLOKOSA-N 368.441 1.569 0 50 FDAA Cc1nc([C@H](C)NC(=O)c2cc(Cn3cnc4ccccc43)[nH]n2)n[nH]1 67855215 QZJGUERLVLTDBC-JTQLQIEISA-N 350.386 1.725 0 50 FDAA CC[C@@]1(C)NC(=O)N(NC(=O)CN2CCC[C@H]2c2ccc(C)cc2)C1=O 252457242 QVMWWBVEPIOJJD-HNAYVOBHSA-N 358.442 1.884 0 50 FDAA CC(=O)c1c(C)nn(CC(=O)NCCc2noc([C@H]3CCCO3)n2)c1C 219035430 CSUCUUWWDMHCJZ-CYBMUJFWSA-N 361.402 1.296 0 50 FDAA Cc1nc(C)n(CCNc2nc(-c3ccncc3)nc3c2CCNC3)n1 67855216 ZCQDKGNZSPHWME-UHFFFAOYSA-N 350.430 1.505 0 50 FDAA 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Cc1cc(=O)nc(SCC(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)[nH]1 215887495 SCADXYRYEFQXOM-HNNXBMFYSA-N 374.466 1.773 0 50 FDAA COc1ccccc1-c1nnc(CN2CCS(=O)(=O)C(C)(C)C2)o1 155365109 OIQRQOIPTGRUFP-UHFFFAOYSA-N 351.428 1.754 0 50 FDAA COc1coc(C(=O)N2CCC([C@@H](C)N3CCOCC3)CC2)cc1=O 77379933 YXXWDXOKIOIOOS-CYBMUJFWSA-N 350.415 1.221 0 50 FDAA CCCN1CCN(C(=O)c2ccc(Cl)cc2F)[C@H]2CS(=O)(=O)C[C@H]21 77538648 XCWHRAXXZUXKLP-CABCVRRESA-N 374.865 1.813 0 50 FDAA Cc1ccc2nc([C@H]3CCCN3C(=O)Cc3c[nH]c(=O)n(C)c3=O)[nH]c2c1 72448054 ADFLONLXEKXAMV-OAHLLOKOSA-N 367.409 1.165 0 50 FDAA O=C([C@@H]1Cc2ccccc2S(=O)(=O)N1)N1CCC(c2ncc[nH]2)CC1 72456766 HKGUJUAANKQZCL-AWEZNQCLSA-N 360.439 1.019 0 50 FDAA O=C(NC1CC1)[C@@H]1CCCN(C2CCN(c3ncnc4c3CCC4)CC2)C1 71774879 GVJYYIVURPGPNF-OAHLLOKOSA-N 369.513 1.925 0 50 FDAA Cc1cccn2cc(C(=O)N3CCC[C@@]4(CCC(=O)N(CCO)C4)C3)nc12 77302750 NOCVBXUYGHTNAQ-FQEVSTJZSA-N 370.453 1.480 0 50 FDAA Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1CCCN(C2CCCCCC2)C1 72133379 BXHDBRMXMHVOMX-CQSZACIVSA-N 362.474 1.218 0 50 FDAA Cc1cc(N2CCN(C(=O)[C@H](C)n3cc(Cl)cn3)CC2)n2ncnc2n1 426691160 HIHZGCBCTXRAGD-LBPRGKRZSA-N 374.836 1.192 0 50 FDAA O=C1NCCN(C(=O)NCc2cc(C3CC3)n[nH]2)[C@H]1c1cccc(F)c1 426515547 PKTOFGGULTVHOX-INIZCTEOSA-N 357.389 1.809 0 50 FDAA O=C([C@H]1CCCN(C2CCN(Cc3ccoc3)CC2)C1)N1CCOCC1 82126734 YWUQDYOCJCWQEZ-SFHVURJKSA-N 361.486 1.815 0 50 FDAA NS(=O)(=O)c1ccccc1-c1cccc(C(=O)NC2CCOCC2)c1 426433926 AGGLEXTZNHUEFO-UHFFFAOYSA-N 360.435 1.910 0 50 FDAA CN(C)C1=NC(=O)C2(CCN(Cc3ccc([C@@H]4CCCCO4)o3)CC2)N1 97475455 IXASUDIIBAWNPS-HNNXBMFYSA-N 360.458 1.903 0 50 FDAA O=C(CN1CCN(c2cc([C@H]3CCOC3)ncn2)CC1)N1CCCCC1 426657085 YHAGCEDGNIWMIG-INIZCTEOSA-N 359.474 1.115 0 50 FDAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CSc1nnc(N)s1)C2 91320917 YCPFHQQCJLBDCU-VHSXEESVSA-N 355.489 1.072 0 50 FDAA O=C1CCC2(CCN(C(=O)c3cccnn3)CC2)CN1C[C@@H]1CCCO1 91694966 PGFVDERRSQDXOU-HNNXBMFYSA-N 358.442 1.500 0 50 FDAA O=C(CCn1cnnn1)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2 91725248 IZRWIFLOPYMTBX-MAUKXSAKSA-N 366.469 1.153 0 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Cc1nnc(CN2CCC3(CCC(=O)N([C@H]4CC[C@H](O)CC4)C3)CC2)o1 244764106 PBKCAVAVICMRBH-WKILWMFISA-N 362.474 1.886 0 50 FDAA C[C@H](CN(C)Cc1cc(O)c2cc(C(N)=O)ccc2n1)N1CCOCC1 253536180 BEZGLRUDMRJWSI-CYBMUJFWSA-N 358.442 1.192 0 50 FDAA CC(=O)Nc1ccc(CNC(=O)CN2CCC(N3CCOCC3)CC2)cc1 252494866 OGVVKSAEXSTZLR-UHFFFAOYSA-N 374.485 1.058 0 50 FDAA Cn1ccnc1CN1CCN(C(=O)NC2CCN(C3CCCC3)CC2)CC1 530900759 BAOXJSOFIARVAD-UHFFFAOYSA-N 374.533 1.654 0 50 FDAA COCCn1nc2c(cc1=O)CN(C(=O)c1cccc3[nH]ccc13)CC2 263616503 JBDKGPNHBSNUFA-UHFFFAOYSA-N 352.394 1.570 0 50 FDAA COc1cc(CC(=O)N[C@H](c2ncnn2C)C(C)C)cc(OC)c1OC 299795745 NHXBTXFJJPCWSE-INIZCTEOSA-N 362.430 1.897 0 50 FDAA CC(C)c1nc([C@H]2CN(C(=O)C3=NN(C)C(=O)CC3)C[C@@H]2C2CC2)n[nH]1 952849477 VPDMNBIYGZZCFI-OLZOCXBDSA-N 358.446 1.488 0 50 FDAA COc1ccnc(-c2cn(CC(=O)NC3CCN(C(C)C)CC3)nn2)c1 1875281995 JBANHGCUWOGAGU-UHFFFAOYSA-N 358.446 1.338 0 50 FDAA O=C(O)[C@H]1C[C@@H]2C[C@@H](NC(=O)[C@@H]3CCCN(C(=O)N4CCCC4)C3)[C@@H]2C1 1875306289 ZLYPPDYWRACLQZ-IBEHDNSVSA-N 363.458 1.530 0 50 FDAA CC(C)[C@H](F)C(=O)N1CCC2(CC1)CN([C@H]1CCN(C(C)C)C1=O)C2 1875358171 MGYNMZIPIUUPJW-HOTGVXAUSA-N 353.482 1.914 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)N2CCN(c3ccc(N(C)C)cc3)CC2)C1 1875374345 LMJKOKKGTHBDSF-KRWDZBQOSA-N 370.497 1.826 0 50 FDAA O=C(N[C@@H](Cc1cc(Br)c(O)c(F)c1F)C(=O)O)C1CC1 1875340396 YZMFUMDAWUDRRT-QMMMGPOBSA-N 364.142 1.955 0 50 FDAA Cc1noc(COC2CN([C@H](C)Cn3cc(Br)cn3)C2)n1 886097068 LPVONGDYYHNMOJ-SECBINFHSA-N 356.224 1.627 0 50 FDAA CCn1cnc2c(NC[C@@H]3OCCN(C)[C@H]3c3ccnn3C)ncnc21 886082005 SBNMRDBDBZFLII-ZFWWWQNUSA-N 356.434 1.064 0 50 FDAA COCC1(C(=O)NC[C@@H]2OCCN(C)[C@H]2c2ccnn2C)CCCC1 886079226 NAGUCJGEDWRSQE-HOTGVXAUSA-N 350.463 1.115 0 50 FDAA COc1ccc([C@H]2CN(C(=O)c3noc(C)c3CO)C[C@@H]2NC(C)=O)cc1 1565527007 DAMHEPHEADICGG-WBVHZDCISA-N 373.409 1.228 0 50 FDAA CCCn1nccc1S(=O)(=O)N[C@H]1COCC[C@@H]1Oc1ccccn1 1565508282 HULWEYRFOFGQPY-KBPBESRZSA-N 366.443 1.203 0 50 FDAA Cn1cc(S(=O)(=O)NC(=O)[C@@H]2CC[C@H]3C[C@@H]3C2)c(C(F)(F)F)n1 408494545 DNEOEEMQHGPTTC-DJLDLDEBSA-N 351.350 1.680 0 50 FDAA CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCN3C(=O)NC[C@@H]3C2)ncn1 275597897 HVSZUMRBHAPBCA-KEYYUXOJSA-N 360.462 1.306 0 50 FDAA CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCc1cccc2c1OCCCO2 170088940 IDSWARUILPYNCI-LSDHHAIUSA-N 354.472 1.798 0 50 FDAA O=C(NCc1nc(-c2ccccc2F)cs1)N1C[C@@H](O)C[C@H]1CO 279152464 JOFUWBIDDVWZHI-QWRGUYRKSA-N 351.403 1.586 0 50 FDAA C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc(N2CCOC2=O)cc1 170602449 FMBJEEIUCFFVCT-CQSZACIVSA-N 361.442 1.560 0 50 FDAA O=C(CN1CCOCC1)N1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F 279888314 HMXCAQDKXZWJSN-IUODEOHRSA-N 358.360 1.672 0 50 FDAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)c1ccncc1Br 190803631 BUMVXUFERDGYJM-JTQLQIEISA-N 357.204 1.940 0 50 FDAA CNC(=O)[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 192493748 IJSFXWODDHPYFX-SWLSCSKDSA-N 363.845 1.820 0 50 FDAA CC1CCN(c2ccc(CNS(=O)(=O)[C@H](C)C(=O)N(C)C)cn2)CC1 193827057 VOCVASAMIKGPRB-CQSZACIVSA-N 368.503 1.214 0 50 FDAA CCc1nc2ccc(Cl)cn2c1C(=O)NC[C@@H](O)CN1CCCC1=O 1326067437 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Cc1nc2ccccc2n1Cc1cc(C(=O)N2CCN(C)C(=O)[C@@H]2C)n[nH]1 11819718 FMCFIEPZDDNICA-LBPRGKRZSA-N 366.425 1.419 0 50 FDAA CCOC(=O)C[C@H]1COCCN1C(=O)c1cn(Cc2ccccc2C)nn1 12385146 RZQRWBVHKCAFNZ-INIZCTEOSA-N 372.425 1.429 0 50 FDAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2cnccn2)CC1 12596721 KOKKJIWQUNZWJN-QGZVFWFLSA-N 373.501 1.710 0 50 FDAA COCCN1C(=O)N(CC(C)C)C(=O)C12CCN(Cc1ccncc1)CC2 14743323 AAANKLWGUBXIIV-UHFFFAOYSA-N 374.485 1.983 0 50 FDAA Cn1cc(CCC(=O)N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)cn1 15072888 UEYLYSPHXCXPCJ-FQEVSTJZSA-N 358.486 1.994 0 50 FDAA CS(=O)(=O)N1CCC(Cn2cc([C@H](O)c3ccccc3)nn2)CC1 19771206 BYCAACCJROSKDB-MRXNPFEDSA-N 350.444 1.031 0 50 FDAA COc1cccc(COCC(=O)N[C@H]2C[C@@H](Cn3ccnc3)C[C@@H]2O)c1 1857527368 WFAKXGRNIVKTED-NJAFHUGGSA-N 359.426 1.364 0 50 FDAA O=C1CN(C(=O)[C@H]2CCCN(c3nc4cc(Cl)ccc4o3)C2)CCN1 1857667799 FRZDBYXMDHKZLB-NSHDSACASA-N 362.817 1.656 0 50 FDAA Cc1ccc2ncnc(N3CCC(C(N)=O)(N4CCCCC4)CC3)c2n1 1857682013 MASDHICBBUIFNK-UHFFFAOYSA-N 354.458 1.643 0 50 FDAA Cc1cc(N2CC[C@@H](O)[C@@]3(CCCNC3=O)C2)nc(-c2ccccc2O)n1 1857688613 SQXQCKJJTLWKCW-OXQOHEQNSA-N 368.437 1.625 0 50 FDAA COC(=O)c1cnc(N2CCC[C@@]3(CCc4c(O)nc(C)nc43)C2)cn1 1857706277 OFMPVUYAQPOOTN-GOSISDBHSA-N 355.398 1.552 0 50 FDAA O=C(Cc1ccc(CO)cc1)N1C[C@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857714779 LJZKUWGRVKVSMF-NPDDRXJXSA-N 367.445 1.317 0 50 FDAA O=C(NC[C@H]1[C@H]2CN(CCO)C[C@]23CC[C@H]1O3)c1cccc(Cl)c1 1857723342 BDWKQVMXUPCCMX-BVIKNXMNSA-N 350.846 1.542 0 50 FDAA O=C(N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1)c1cncnc1O 1857726838 FITTUDNQBKDXHG-IJEWVQPXSA-N 374.828 1.780 0 50 FDAA Cc1cccn2c(CC(=O)N3CCC([C@@H](O)CN4CCCC4)CC3)cnc12 1857728425 AZLKISCIAMRDIN-IBGZPJMESA-N 370.497 1.881 0 50 FDAA Cc1nc[nH]c1-c1nccn1[C@@H]1C[C@H]2CO[C@@H](CC(=O)N(C)C)CN2C1 1857731908 TUAYUEDLKQLECK-ILXRZTDVSA-N 358.446 1.074 0 50 FDAA CCC[C@@]1(CO)CN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC[C@H]1O 1857737351 IOKZHINYYRGOQY-WBVHZDCISA-N 355.456 1.076 0 50 FDAA O=C(c1ccc2nonc2c1)N1CC[C@H]2[C@H](CCC(=O)N2CCCCO)C1 219628059 VDDGOXYDZDPFKE-PBHICJAKSA-N 372.425 1.448 0 50 FDAA O=C(NCc1ccccc1Br)c1cn(C2CCNCC2)nn1 236572401 CRMXUJNDAHQDFZ-UHFFFAOYSA-N 364.247 1.895 0 50 FDAA CCn1ccc(CN2C[C@H]3c4cccc(OC)c4OC[C@@]3(C(=O)O)C2)n1 248253976 RAABSFVIZLLASB-KXBFYZLASA-N 357.410 1.974 0 50 FDAA O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccnn1Cc1ccccc1 363082159 YDOXESIHVQVUSH-UHFFFAOYSA-N 366.425 1.655 0 50 FDAA CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cnn3ccc(C)cc23)cn1 818600270 WZLLLFUCPNJIJQ-DOTOQJQBSA-N 355.398 1.435 0 50 FDAA COc1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)c1 375144448 RAQDLFLXFVFQMO-DOMZBBRYSA-N 358.847 1.684 0 50 FDAA O=C(NC1CC1)[C@@H]1CCCN1C(=O)Nc1ccn(-c2ncccc2F)n1 378293642 XETRXUJDPUYKLK-ZDUSSCGKSA-N 358.377 1.681 0 50 FDAA O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(CCn2cncn2)CC1 263994037 DPUSAPQRKSQGSU-UHFFFAOYSA-N 373.841 1.077 0 50 FDAA Cc1cccc(NC[C@@H]2CCN(c3nc4c(c(=O)nc(O)n4C)n3C)C2)n1 264337074 UVKILNDGOAWAFM-LBPRGKRZSA-N 369.429 1.014 0 50 FDAA CC(C)Cc1nc(C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)cs1 163392278 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MPBHDHJOTASVKI-UHFFFAOYSA-N 353.382 1.619 0 50 FDAA COc1ccc(CN2CCN(c3nccc(N)n3)C[C@@H]2CCO)cc1C 72480473 XVTHZMBDAZNMDU-INIZCTEOSA-N 357.458 1.449 0 50 FDAA CCCN1CCN(C(=O)c2ccc(OCC)cc2)[C@H]2CS(=O)(=O)C[C@H]21 77428841 UHXVBWDTYDFWKK-SJORKVTESA-N 366.483 1.419 0 50 FDAA CC(C)CCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2ccno2)[C@H]3C1=O 77407132 BQOHXUBNBQZYAB-RCJHGTSTSA-N 359.426 1.461 0 50 FDAA Cc1nc(C(=O)NCc2cc3n(n2)CCCN(C(=O)N(C)C)C3)c(C)o1 82139174 KVGXZBXWRQMVRJ-UHFFFAOYSA-N 360.418 1.305 0 50 FDAA O=C(Cc1cccnc1)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2 82107337 KVMFDAZWZIQMKW-UHFFFAOYSA-N 367.453 1.669 0 50 FDAA Cc1cc(C)n(C2CN(C(=O)[C@H](c3ccc4c(c3)OCO4)N(C)C)C2)n1 220430277 HDGPRCHTIHOUHN-SFHVURJKSA-N 356.426 1.915 0 50 FDAA CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)N[C@H]4CCCN(c5ncccn5)C4)[C@H]1[C@H]3C2 287430534 VPNPPUBSGXRVHX-FHULIHMCSA-N 357.458 1.510 0 50 FDAA O=C1NCCN(C(=O)Nc2ccc(CCc3ccccn3)cc2)[C@@H]1CCO 426387163 WQSBCCGTHLXBGH-GOSISDBHSA-N 368.437 1.582 0 50 FDAA COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC3(C)C)CC2)cc1 132577183 ZCGNEQUVMBBSJX-OAHLLOKOSA-N 352.456 1.574 0 50 FDAA CNC(=O)c1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1 327287061 LJDKLKZHYKYDHA-OAHLLOKOSA-N 362.407 1.020 0 50 FDAA CCO[C@@H]1COCC[C@H]1NC(=O)c1nccnc1C(=O)N1CCCCC1 223314859 JDXVWSLMIHEBPI-ZIAGYGMSSA-N 362.430 1.027 0 50 FDAA CC[C@@H](C(=O)Nc1nccs1)N1CCn2nc(CNC(C)=O)cc2C1 426536224 DKTBAARBJFOILQ-AWEZNQCLSA-N 362.459 1.209 0 50 FDAA Cc1nccn1-c1ccc(N2CCC(N[C@H]3CCS(=O)(=O)C3)CC2)cc1 199302871 SYUPMBALXRGNGR-KRWDZBQOSA-N 374.510 1.926 0 50 FDAA Cc1nc2cc(C(=O)NCC[C@H]3CCC(=O)N3CCN(C)C)ccc2[nH]1 97551364 QDDRTTAERCKPCD-OAHLLOKOSA-N 357.458 1.544 0 50 FDAA O=C1NCCN2CCN(C(=O)NCC3(c4ccccc4)CCCCC3)C[C@@H]12 426484395 DNZIQNWWUXKNSQ-SFHVURJKSA-N 370.497 1.714 0 50 FDAA O=S1(=O)CCN(c2ccccc2-c2nc(-c3cccnn3)no2)CC1 95523972 ATBIIXCOAHDFGP-UHFFFAOYSA-N 357.395 1.428 0 50 FDAA COc1ccc(CCC(=O)N2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)cc1 95388834 PAJYZNPSEGONGV-INIZCTEOSA-N 374.437 1.552 0 50 FDAA CN1CC[C@@H](N(C)CCC(=O)N(C)Cc2cc(-c3cccnc3)no2)C1 91434052 BVSYFHAOJBJXGF-MRXNPFEDSA-N 357.458 1.721 0 50 FDAA COCCN1C[C@@H](NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)CC1=O 91964490 AYIGDVSMGUAFAZ-ZDUSSCGKSA-N 358.398 1.062 0 50 FDAA Cc1nc(N(C)C)ncc1C(=O)N1CCN(Cc2ccccc2)C[C@H](O)C1 95520411 PQMONGPTDOMNIZ-KRWDZBQOSA-N 369.469 1.170 0 50 FDAA Cn1ccnc1[C@H]1CCCN(c2cc(C(=O)N3CCOCC3)ccn2)C1 95505194 JXIPRZFDYYNHPC-INIZCTEOSA-N 355.442 1.672 0 50 FDAA CCNc1ncc(C(=O)N2CCc3c(nc(CC4CC4)[nH]c3=O)C2)cn1 91848775 IHIDGBCJPGMFDX-UHFFFAOYSA-N 354.414 1.143 0 50 FDAA CC(C)N1CCC[C@]2(CCN(C(=O)CCc3nc(Cl)n[nH]3)C2)C1=O 91656604 JHKZRPHDMNAESE-MRXNPFEDSA-N 353.854 1.640 0 50 FDAA CCc1cc(Cn2c(=O)n(CCOC)c3ccc(C(=O)OC)cc32)on1 95378636 LDTSUCQXDYSOPT-UHFFFAOYSA-N 359.382 1.835 0 50 FDAA Cc1nc2ccccc2nc1CN1CC[C@]2(CCCN(CCO)C2=O)C1 91782157 NOHNNJVPYFZGFL-HXUWFJFHSA-N 354.454 1.745 0 50 FDAA Cc1cc(C)n2c(C(=O)N[C@H](c3ccccn3)[C@H]3C[C@@H](O)C3)nnc2n1 244873345 WOPIFJPTSNVJGU-GUTXKFCHSA-N 352.398 1.378 0 50 FDAA CSc1nc(C(=O)N2CCN([C@@H]3CN4CCC3CC4)CC2)cs1 244605521 FABGAOYQYYWISB-CQSZACIVSA-N 352.529 1.717 0 50 FDAA NC(=O)CN1CCC(NC(=O)[C@]2(c3ccccc3)CC23CCCC3)CC1 252489610 JUSCYEZYNHVJFB-OAQYLSRUSA-N 355.482 1.954 0 50 FDAA COc1cccc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1OC 299476625 DPXFCHBWQDSVCX-HNNXBMFYSA-N 361.442 1.082 0 50 FDAA O=C(O)[C@H]1CCN(C(=O)[C@@H]2CCCN(c3ncnc4sccc34)C2)C1 299742504 JRXOAKLFNXFUIR-NEPJUHHUSA-N 360.439 1.841 0 50 FDAA O=C1NC[C@]2(CCCN(C(=O)NCc3nc(-c4ccncc4)n[nH]3)CC2)O1 534659082 PKNHRHRGEDMEOB-QGZVFWFLSA-N 371.401 1.041 0 50 FDAA Cc1nc2[nH]c(=NC(=O)c3ccc([C@@H]4CCCO4)s3)[nH]n2c(=O)c1C 1940193724 SLMPZINQAASDRY-JTQLQIEISA-N 359.411 1.622 0 50 FDAA Cn1c(CNC(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)nc2ccccc21 298640260 KEQNLSCQCPKOMO-CYBMUJFWSA-N 364.471 1.540 0 50 FDAA CS(=O)(=O)N1CCC[C@@H](CNC(=O)Nc2ccc3c(c2)CCC3)C1 299767520 LOTUDONREKYDPT-ZDUSSCGKSA-N 351.472 1.968 0 50 FDAA Cc1cnn(Cc2cccc(F)c2)c1NC(=O)N1CCS(=O)(=O)CC1 299758541 MJVMGUINSZGWEL-UHFFFAOYSA-N 366.418 1.641 0 50 FDAA O=C(CCc1n[nH]c2c1CCCC2)NC1CCN(c2cnccn2)CC1 299798091 VBHZOELDSCBJHD-UHFFFAOYSA-N 354.458 1.796 0 50 FDAA Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CC[C@](O)(c2ccccc2F)C1 1875296819 QKHDHEHZKOVQKD-LJQANCHMSA-N 371.368 1.708 0 50 FDAA C=CC(=O)N1CCC(C(=O)Nn2cnc3sc(CC)cc3c2=O)CC1 1875365226 YVSZXKOIBUUHGC-UHFFFAOYSA-N 360.439 1.515 0 50 FDAA C=CC(=O)Nc1ccc(C(=O)N2C[C@H](C(=O)OC)Cc3c2cnn3C)cc1 1875382140 SENMXAHGPMBSBT-CYBMUJFWSA-N 368.393 1.537 0 50 FDAA COc1cc(CNc2cc(N3C[C@H](O)C[C@@H]3CN)ncn2)ccc1Cl 1875397184 OXXNLEIREGFZMQ-CHWSQXEVSA-N 363.849 1.649 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)N2Cc3cc(C(=O)OCC)nn3C[C@H]2C)C1 1875370834 FSGPOXYPUGLFAB-KGLIPLIRSA-N 374.441 1.215 0 50 FDAA Cc1nc(C(=O)N2CCCc3n[nH]cc32)nc(N2CC[C@@H](N(C)C)C2)c1C 1875403995 OQAUAZVFLDIAFN-CQSZACIVSA-N 369.473 1.550 0 50 FDAA O=C1CCc2c1cccc2C(=O)N1CCC(N2CCN(CCO)CC2)CC1 952981679 UGRIUMMOWYMRCA-UHFFFAOYSA-N 371.481 1.030 0 50 FDAA Cc1nnc(CN2CCC3(CC2)CN(C(=O)C2CCC2)CCO3)s1 952980502 PTKYXSLHOAPDLM-UHFFFAOYSA-N 350.488 1.840 0 50 FDAA NC(=O)CN1CCC[C@H](C(=O)N[C@H](c2ccccc2)c2ccncc2)C1 952983005 QVFSJUASTNWOJF-PKOBYXMFSA-N 352.438 1.485 0 50 FDAA Cn1cnnc1C[C@]1(O)CCCN(Cc2cnn(-c3ccccc3)c2)C1 886088938 RMHHFQQEVYBFAO-LJQANCHMSA-N 352.442 1.570 0 50 FDAA Cc1cc(CN2C[C@H](C(=O)N3CCC(O)CC3)[C@@H](C(F)(F)F)C2)on1 888103270 SVUQKIGOLGDGER-KBPBESRZSA-N 361.364 1.577 0 50 FDAA O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1cccnc1)CCN2Cc1cccc(O)c1 1565505841 VFDNVZHIDKIQJB-MOPGFXCFSA-N 373.478 1.271 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)CCSC)CN1Cc1cccc(O)c1 95362683 QGCPJCRETMFNHZ-HOCLYGCPSA-N 365.499 1.341 0 50 FDAA CS(=O)(=O)c1ccc(N(C[C@@H]2CCOC2)C2CC2)c(S(C)(=O)=O)c1 274258675 ZZLYZUNQZOFGOO-LBPRGKRZSA-N 373.496 1.499 0 50 FDAA CC(C)c1cc(NC(=O)N2CCO[C@@]3(CCOC3)C2)n(-c2ncccn2)n1 276558011 FYWRGORUIBWDFE-SFHVURJKSA-N 372.429 1.809 0 50 FDAA CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2ccc(CN3CCCC3)cc2)O1 170591748 SCAWDEVXTXUPDK-MSOLQXFVSA-N 359.470 1.648 0 50 FDAA CCn1cc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)CCO4)CCO2)cn1 189219700 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CN(C)CCN(Cc1ccco1)S(=O)(=O)c1csc(C(N)=O)c1 7006296 FOHFMJCJDAHSIX-UHFFFAOYSA-N 357.457 1.193 0 50 FDAA Cc1cc2[nH]cc(C(=O)N3CCN(Cc4ccccc4C)CC3)c(=O)n2n1 102792662 BEZUOOMHAWDAFH-UHFFFAOYSA-N 365.437 1.597 0 50 FDAA CC(C)(C)[S@](=O)CCNC(=O)c1ccc2c(=O)[nH]c(S)nc2c1 112394262 XAUMJVZNSAZNOK-QHCPKHFHSA-N 353.469 1.489 0 50 FDAA O=S(=O)(c1ccccc1F)N1CCC[C@@H](Cn2cc(CO)nn2)C1 23144457 DYZXZCGSBCTWCS-LBPRGKRZSA-N 354.407 1.010 0 50 FDAA CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc3c(c1)CCC(=O)N3C)CC2 134855949 LAMLGFJJHDAIIJ-AWEZNQCLSA-N 353.426 1.494 0 50 FDAA O=C(NCc1cccnc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 20898373 FBSRGJUCVXIFFN-UHFFFAOYSA-N 373.478 1.940 0 50 FDAA O=C(CCNS(=O)(=O)c1cccnc1)Nc1cc(C2CCCC2)[nH]n1 135708024 DBKJHAZWRAKIFK-UHFFFAOYSA-N 363.443 1.769 0 50 FDAA COCc1nc(CNC(=O)CCC(=O)Nc2ccccc2SC)no1 65508097 IOWRDQLTLOGBIK-UHFFFAOYSA-N 364.427 1.973 0 50 FDAA Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(C(=O)c2cccnn2)C1 72425998 GXQRZMCWTQRZJJ-OAHLLOKOSA-N 369.473 1.611 0 50 FDAA CN(C)c1nc2c(s1)[C@@H](c1ccc(S(C)(=O)=O)cc1)CC(=O)NC2 65419763 XHRWARBNRSBQHG-GFCCVEGCSA-N 365.480 1.764 0 50 FDAA O=C(NCCc1cccc(O)c1)C(=O)Nc1ccccc1O[C@H]1CCOC1 470648269 IVZJTMFVEQPMRB-INIZCTEOSA-N 370.405 1.857 0 50 FDAA COc1ccc(N2C[C@H](C(=O)N(C)C[C@H](C)C(=O)O)CC2=O)c(OC)c1 281355262 OYFLYDKSFDTMJR-NWDGAFQWSA-N 364.398 1.236 0 50 FDAA Cc1nccn1CC1(CNC(=O)c2ccc(-c3nnn(C)n3)cc2)CC1 216110129 HYDIBCMSHCSMGI-UHFFFAOYSA-N 351.414 1.592 0 50 FDAA COC(=O)c1ccc(S(=O)(=O)N2CCCC[C@]2(C)C(=O)O)cc1F 281835657 SKSHBKCESCUPDV-OAHLLOKOSA-N 359.375 1.630 0 50 FDAA C[C@H](O)CN(C)C(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 67967945 RTHXPQKUWUXHMS-INIZCTEOSA-N 372.469 1.445 0 50 FDAA CCn1ccnc1CN(C)[C@H]1CN(C(=O)c2ccc(OC)cc2)C[C@@H]1O 12316161 JSPQBIHJMCCXGE-IRXDYDNUSA-N 358.442 1.229 0 50 FDAA O=C(N[C@@H]1CCOC[C@H]1Oc1ccccn1)c1scc2c1OCCO2 219036228 HJNYDNXBCIQCQV-VXGBXAGGSA-N 362.407 1.881 0 50 FDAA CCN1CCO[C@@H](C(=O)N[C@@H]2CCN(c3cc(Cl)ccc3OC)C2)C1 172746662 XAGQNLGELGCNOE-RHSMWYFYSA-N 367.877 1.764 0 50 FDAA Cc1ccc2cccc(C(=O)N3CCO[C@H](CN(C)CC(=O)O)C3)c2n1 328651979 WFPDSOMUUBIBPS-OAHLLOKOSA-N 357.410 1.401 0 50 FDAA Cc1cc(C(=O)N2CCO[C@H](c3ccnc(N4CCCC4)n3)C2)nc(O)n1 328646188 ZZQLHNQORZQUEB-HNNXBMFYSA-N 370.413 1.095 0 50 FDAA Cc1cccc2[nH]c(COCC(=O)N3CCn4nc(CO)cc4C3)nc12 218950064 USDHYGYRBRLASN-UHFFFAOYSA-N 355.398 1.119 0 50 FDAA C[C@@H](O)CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)C1CCC1)CC2 77421983 KZHYCKWIZCCCES-CYBMUJFWSA-N 366.483 1.421 0 50 FDAA Cc1ncc(C(=O)N(C)[C@@H]2CCCN(CCc3ccccc3)C2)c(=O)[nH]1 72149196 ARLPIVDCAFHYIW-QGZVFWFLSA-N 354.454 1.857 0 50 FDAA Cc1nn(CC(=O)NCc2cccs2)c(=O)n1CCc1ccccc1 77471405 WPSAWLMHYJNOEA-UHFFFAOYSA-N 356.451 1.974 0 50 FDAA Cc1c(C(=O)N2CCCC[C@H]2c2nc(O)n[nH]2)cnn1C1CCOCC1 329449490 OMJXXEYXSQTFMX-AWEZNQCLSA-N 360.418 1.734 0 50 FDAA O=C1CCSc2ccc(C(=O)N[C@H](CO)Cc3ccncc3)cc2N1 365572628 DRRUWTGQQQGFMX-AWEZNQCLSA-N 357.435 1.849 0 50 FDAA O=C1CCN(c2ccccc2C(=O)N2CCC[C@H](c3ncc[nH]3)C2)C(=O)N1 77298143 NMCANGUZVOGFMW-ZDUSSCGKSA-N 367.409 1.876 0 50 FDAA COc1ccccc1C(=O)N1CCN(C(=O)CCCc2cn[nH]c2)CC1 72439134 BWSAHQIDRLPFLO-UHFFFAOYSA-N 356.426 1.726 0 50 FDAA CN(Cc1ccc(OCC(=O)N2CCOCC2)cc1)Cc1cnn(C)c1 215254361 NZKZYZBYQWQFGT-UHFFFAOYSA-N 358.442 1.290 0 50 FDAA O=C(N[C@H]1CCCc2c1cnn2CCO)c1cccnc1N1CCCC1 371303312 CWVNTXSQSWLFGW-INIZCTEOSA-N 355.442 1.678 0 50 FDAA Cc1cc(C2CCC2)nc(N2CC[C@@H](NC(=O)c3cnccn3)[C@H](O)C2)n1 77485862 XHJQOKRYJJJFAC-RHSMWYFYSA-N 368.441 1.212 0 50 FDAA Cn1c(CO)nnc1[C@H]1CCCN(C(=O)CCC(=O)c2ccc(F)cc2)C1 216297935 MKUGOWKQWBRGIO-AWEZNQCLSA-N 374.416 1.816 0 50 FDAA Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@@H](N4CCNCC4)C3)cc2)n1 262173003 AWSCLEDLYQKUOH-LJQANCHMSA-N 353.470 1.609 0 50 FDAA COc1cccc(CN2C[C@H](COCC(=O)N(C)C)OC(C)(C)C2)c1 284460049 DVKYBSOIZKXNLN-QGZVFWFLSA-N 350.459 1.779 0 50 FDAA CCn1ncnc1CN1CC[C@@H]2[C@@H](CCC(=O)N2CCCSC)C1 72426441 DHRPMDYCTQKELK-LSDHHAIUSA-N 351.520 1.864 0 50 FDAA Cn1cnnc1CCC(=O)N1CCCN(CCCc2ccccc2)CC1 77385968 AVBCKDCPICHLIJ-UHFFFAOYSA-N 355.486 1.915 0 50 FDAA O=C(COc1ccccc1)NC[C@@]1(O)CCCN(Cc2c[nH]cn2)CC1 72171391 YKPGCRRKEJRYBV-LJQANCHMSA-N 358.442 1.322 0 50 FDAA NC(=O)CN1C(=O)[C@@]2(CCN(C(=O)CCc3ccco3)C2)c2ccccc21 82097977 YIVFYXXJMMMFIY-HXUWFJFHSA-N 367.405 1.214 0 50 FDAA CS(=O)(=O)c1ccc([C@@H](O)CN2CCc3ccccc3[C@@H]2CO)cc1 130884324 BVKIZMPGPKDCQQ-OALUTQOASA-N 361.463 1.715 0 50 FDAA O=C(CN1CCOc2ccccc2C1)N[C@H]1CC(=O)N(c2ccccc2)C1 82096965 HRFKYHZBWQOIEK-KRWDZBQOSA-N 365.433 1.803 0 50 FDAA Cc1ccc(CNC(=O)C2CCN(CCC(=O)N3CCOCC3)CC2)cc1 175319114 AKMVRHQNSPZRJX-UHFFFAOYSA-N 373.497 1.572 0 50 FDAA CCC[C@@H]1CN(C(=O)c2ccc(CSC)o2)C[C@H]1NS(C)(=O)=O 82091653 QWMBFQKWBTUVAD-DGCLKSJQSA-N 360.501 1.933 0 50 FDAA C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)NCC1CCN(S(C)(=O)=O)CC1 288766299 ZJFIOIOGDXMGJX-BLLLJJGKSA-N 367.471 1.479 0 50 FDAA CC(=O)N[C@H](CC(=O)N1CC[C@H](CN)C1)c1ccc(Br)cc1 178578637 HUEVIYGCMBINRS-IUODEOHRSA-N 368.275 1.824 0 50 FDAA CCCc1cnc(C)nc1N1CCn2nc([C@@H](O)c3nccn3C)cc2C1 220192268 CBSZHKFXTRVHTR-QGZVFWFLSA-N 367.457 1.769 0 50 FDAA NCCOc1ccc(Cl)cc1C(=O)NCc1nc(-c2cnccn2)n[nH]1 426503988 LCJAROOTHNUFLL-UHFFFAOYSA-N 373.804 1.183 0 50 FDAA C[C@H]1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)CCCn1cncn1 82138894 FZQWQBYZBBKBPJ-ZDUSSCGKSA-N 361.833 1.976 0 50 FDAA COc1ccc2ccccc2c1-c1cn(CCc2c[nH]c(=O)[nH]c2=O)nn1 82138776 MALXEDGUAJXGHI-UHFFFAOYSA-N 363.377 1.726 0 50 FDAA Cn1cc(C(=O)N2CCC[C@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)cn1 91270255 WYIIHIBOHDQKPY-LJQANCHMSA-N 370.457 1.231 0 50 FDAA NC[C@@H](O)CC(=O)N1CCC2(CC1)CC(=O)N(CCCc1ccccc1)C2 95352307 HXFWBJVATROVCT-SFHVURJKSA-N 373.497 1.170 0 50 FDAA O=C(c1cncc(NC[C@@H]2COc3ccccc3C2)n1)N1CCOCC1 91320793 SAJOTOAIPHMOMI-CQSZACIVSA-N 354.410 1.612 0 50 FDAA Cc1nccn1Cc1nc(-c2ccncc2)nn1[C@@H]1CCS(=O)(=O)C1 96163705 DFTWHIIRWHXTNY-CQSZACIVSA-N 358.427 1.253 0 50 FDAA COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cn[nH]c2)CC1 96137774 GAFQTCIHJRPSGM-KRWDZBQOSA-N 350.463 1.389 0 50 FDAA CNC(=O)c1cccnc1N1C[C@H]2COc3ccccc3C[C@@]2(CO)C1 95363685 MLLMRZHMKSQSJY-YWZLYKJASA-N 353.422 1.491 0 50 FDAA Cc1nc(CN2CC[C@]3(O)CCN(C(=O)NC(C)C)C[C@@H]3C2)cs1 91504162 XHNAXIXVNHVTCJ-YOEHRIQHSA-N 352.504 1.828 0 50 FDAA CNc1nc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(C)=O)cs1 91536670 GKQQERQGQSKRAA-UHFFFAOYSA-N 374.470 1.444 0 50 FDAA CCc1nc(C)sc1CN1C[C@@H](NS(=O)(=O)N(C)C)[C@H](C(C)C)C1 95376283 NRYYRWMZRVPDQP-DZGCQCFKSA-N 374.576 1.866 0 50 FDAA CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)Cc2ccc(N(C)C)cc2)CN1C 96163428 IPBPRWPOILJTOQ-WMZOPIPTSA-N 360.502 1.352 0 50 FDAA Cc1cccc(C(=O)N2C[C@H](CO)[C@H](CN3C[C@H](C)O[C@H](C)C3)C2)c1O 91270375 WCDKHBVADIKKGG-YYIAUSFCSA-N 362.470 1.490 0 50 FDAA CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)N(C(=O)Cn1cnc3ccccc31)C2 95361954 ROQYCGUXQODQGN-JKSUJKDBSA-N 369.469 1.047 0 50 FDAA COCC(=O)N1CCC(C(=O)NCCc2nc3c(s2)CCCC3)CC1 95497298 DLGXKOLUGPCARN-UHFFFAOYSA-N 365.499 1.566 0 50 FDAA Cc1ncc(CC(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3C)C2)c(=O)[nH]1 92065876 WVJQUJXDWGIDSK-JKSUJKDBSA-N 355.394 1.256 0 50 FDAA O=C(NS(=O)(=O)c1ccccc1)N1c2ccccc2N2CCCN[C@H]21 334163155 MSOQTUIRHKMRLQ-MRXNPFEDSA-N 358.423 1.688 0 50 FDAA CN(C)CCN1C(=O)CC[C@H]1CCNC(=O)Nc1cccc2[nH]nnc12 96130760 BUYJIKBJANXIRX-LBPRGKRZSA-N 359.434 1.022 0 50 FDAA CCCSCC(=O)N1CCn2nc(CCC(=O)N3CCCC3)cc2C1 91793456 NBBXWYWWEQRWIL-UHFFFAOYSA-N 364.515 1.924 0 50 FDAA COc1cccc2c1OC[C@@H](C(=O)N(C)C1CCS(=O)(=O)CC1)C2 95355215 ZGCOSQWYFBJANN-ZDUSSCGKSA-N 353.440 1.282 0 50 FDAA CCCCc1ccc(NC(=O)N2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)cc1 96139976 CQXPWAJPPPGJMK-OALUTQOASA-N 360.502 1.854 0 50 FDAA Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](C(N)=O)N2C=Cc4ccccc4[C@@H]32)cc1 248123992 TUZPGQYZYBPBNB-ZSYWTGECSA-N 373.412 1.996 0 50 FDAA CCCCN(Cc1ccccc1F)C(=O)c1cc2n(n1)C[C@H](O)CNC2=O 244602079 DXDBTHFGLRYQOU-CQSZACIVSA-N 374.416 1.569 0 50 FDAA COc1nc2c(cc1C(=O)N[C@H]1C[C@@H](c3cc(O)nc(N)n3)C1)CCC2 253535574 FXQCBWNVPYMZCR-PHIMTYICSA-N 355.398 1.333 0 50 FDAA CCN(CCOc1ccc(Cl)cc1)C(=O)NCCc1nc(N)n[nH]1 534633053 CSQOGGXZTFXLBV-UHFFFAOYSA-N 352.826 1.693 0 50 FDAA CCN1CCN(C(=O)c2ccc(-c3cc4nncn4c(N)n3)cc2)CC1 534588188 QVOLJSARLDIAJO-UHFFFAOYSA-N 351.414 1.151 0 50 FDAA O=C(Cn1cnc2ccccc2c1=O)N[C@H]1COC[C@H]1Cc1ccncc1 1940196886 BFEHGPTWWBFOPN-QAPCUYQASA-N 364.405 1.165 0 50 FDAA CN(CCc1noc(C2CC2)n1)C(=O)c1coc(CN2CCOCC2)c1 299783011 WYVOSGYJMQOTQT-UHFFFAOYSA-N 360.414 1.687 0 50 FDAA O=C(NCc1nncn1CCc1ccccc1)[C@@H]1CCCCn2nnnc21 299772972 BHHJAORWPVRCKG-OAHLLOKOSA-N 366.429 1.091 0 50 FDAA Cc1c(NC(=O)N2CCN[C@H]3CS(=O)(=O)C[C@H]32)cccc1-n1cccc1 299802310 ZUXUEMKSGXEOOP-DOTOQJQBSA-N 374.466 1.388 0 50 FDAA COc1cccc2c1OC[C@@H](NC(=O)c1cccc(-n3cnnc3)n1)C2 824804782 MBGWUFRDNVWUOA-ZDUSSCGKSA-N 351.366 1.404 0 50 FDAA CCc1nnc(CN(C)C(=O)NCCn2ncc3ccccc3c2=O)o1 584890129 UJHQVGMWTFYSMC-UHFFFAOYSA-N 356.386 1.184 0 50 FDAA NC(=O)[C@@H]1CCO[C@@H]1CC1CCN(C(=O)c2ccn3cncc3c2)CC1 952886096 GURHJNPKJGGTBI-IAGOWNOFSA-N 356.426 1.467 0 50 FDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCN(Cc4ccccn4)CC3)n[nH]c21 1875289946 ZVEJQHLVTOSQKX-KGLIPLIRSA-N 355.442 1.785 0 50 FDAA CCC(=O)N[C@H](C(=O)N1CCC2(CC1)[C@@H](O)C[C@@H]2OC)c1ccccc1 1875321838 XXCVAWVUSNADJD-BQFCYCMXSA-N 360.454 1.642 0 50 FDAA O=C1O[C@H](C(=O)N2CCC[C@@H]2c2nccc(O)n2)Cc2c(F)cccc21 1875318233 LBNWFENCSLHGBU-KGLIPLIRSA-N 357.341 1.767 0 50 FDAA O=C(Cc1ccc2c(c1)CCCO2)N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O 1875400821 NIALGQCHFVVTSM-KBAYOESNSA-N 355.438 1.707 0 50 FDAA Cc1cnc(N2CCOC3(CCC(NC(=O)c4cocn4)CC3)C2)nc1 1875408342 TZLCORPVRUVYKF-UHFFFAOYSA-N 357.414 1.721 0 50 FDAA O=C(CCN1CCCCCC1=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 952981718 JUMYARKARSYWMA-OAHLLOKOSA-N 361.417 1.840 0 50 FDAA O=C(c1ccccn1)N1CCC(N2CC[C@@H]3OCc4cnnn4[C@@H]3C2)CC1 1076137624 LUICATKFVZOPHX-MSOLQXFVSA-N 368.441 1.124 0 50 FDAA Cn1nc(C[C@H]2CCCC[C@H]2NCc2cnn3ccccc23)n(C)c1=O 888098350 GICWURLYFQDTQZ-GDBMZVCRSA-N 354.458 1.658 0 50 FDAA O=C(Cc1cccc(F)c1)N[C@H]1CCN(C(=O)c2ccccn2)C[C@@H]1O 1565506799 JXEVAQJFOCJQAK-RDJZCZTQSA-N 357.385 1.155 0 50 FDAA CCOc1ncc(C(=O)N2C[C@H](O)C[C@@H]2c2nc(C)no2)cc1Cl 275527097 YLBPERVQPPJEJH-ZYHUDNBSSA-N 352.778 1.773 0 50 FDAA C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CN1Cc2ccccc2C1=O 278482029 KVKBFZFFJMYODO-OAHLLOKOSA-N 357.454 1.354 0 50 FDAA CC(C)c1noc([C@@H]2CCCN2c2nc3c(c(O)nc(=O)n3C)n2C)n1 1529142077 YBULRRLWIGKMKS-VIFPVBQESA-N 359.390 1.221 0 50 FDAA O=C(O)[C@H]1CN(C(=O)c2ccc(CO)o2)C[C@@H]1c1ccc2c(c1)OCO2 216505570 YAIJMQQHTVISOI-OLZOCXBDSA-N 359.334 1.441 0 50 FDAA COCC(=O)NC[C@H]1CCN(C(=O)c2cc3c(s2)CCCC3)C[C@@H]1O 216778153 YKECBRNBGIDEAY-KGLIPLIRSA-N 366.483 1.213 0 50 FDAA COc1ccc(NC(=O)N2CCCN(C(=O)c3cnccn3)CC2)cc1 1800410721 AINDPQCYKIUNGC-UHFFFAOYSA-N 355.398 1.865 0 50 FDAA Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1C[C@H]2COCC[C@@]2(C(=O)O)C1 1607996269 NSZKKZBUBCZHRA-XJKSGUPXSA-N 371.459 1.193 0 50 FDAA O=C(c1cc(N2CCOCC2)no1)N1CC(OCc2ccccc2F)C1 1772809159 NQNGHKXNWWEPCY-UHFFFAOYSA-N 361.373 1.692 0 50 FDAA CN(CC1(C)COC1)C(=O)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1772818251 BCGCPMTXLPOMCB-CYBMUJFWSA-N 365.499 1.580 0 50 FDAA O=C1NCCN(Cc2ccccc2)[C@H]1CC(=O)N1CCC(C2(O)CC2)CC1 1772810941 PWPYCZAJOOKSNE-SFHVURJKSA-N 371.481 1.141 0 50 FDAA CCCS(=O)(=O)N1CCN(Cc2ccc(OC)c(OCC)c2)CC1 19525181 RGSBFECMFNVUKD-UHFFFAOYSA-N 356.488 1.951 0 50 FDAA Cc1cc(N2CCN(C(=O)c3c[nH]c(=N)nc3C)CC2)nc(C(C)C)n1 1857527103 SWFARXCDGXFZAG-UHFFFAOYSA-N 355.446 1.382 0 50 FDAA NC(=O)c1cncc(N2CCC3(CC2)C[C@H](O)C[C@H](c2ccccc2)O3)n1 1857708256 YJIBMJIARUMTPD-NVXWUHKLSA-N 368.437 1.827 0 50 FDAA CCc1nc(-c2ncccn2)sc1C(=O)N1CCC[C@@]2(CNC(=O)O2)C1 1857724124 MUOGRGFUJZXIGO-QGZVFWFLSA-N 373.438 1.877 0 50 FDAA Cc1cccc(-c2nccn2[C@@H]2CS(=O)(=O)C[C@H]2NC(=O)C(C)C)n1 1875245034 HEZRBYFNBGWJOI-HUUCEWRRSA-N 362.455 1.364 0 50 FDAA O=C(NC[C@H]1[C@H]2CN(c3ncc(F)cn3)C[C@]23CC[C@H]1O3)c1ccccn1 1875245103 KEHLZQQQNPTVKR-XWESNNAXSA-N 369.400 1.425 0 50 FDAA C[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C[C@@H](C)O1 226853025 AVSKQPOXXBLUIP-MJBXVCDLSA-N 360.410 1.447 0 50 FDAA CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H]1CCS(=O)(=O)C1 329691944 DPCKTDXRHHJJMQ-MSOLQXFVSA-N 364.511 1.792 0 50 FDAA CNC[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1OCCOC 237157626 RZHCOYNFCZEXQO-ZDUSSCGKSA-N 362.879 1.738 0 50 FDAA Cc1ccc(CN2CCC[C@@H](n3cc(C(=O)NCCCO)nn3)C2)cc1 14988790 GKRVCZZRLNNAPB-QGZVFWFLSA-N 357.458 1.536 0 50 FDAA CC(C)N1CC[C@H](N(C)C[C@@H]2C[C@H](F)CN2Cc2nccn2C)C1=O 463048293 LDSYLWNCHQVTEE-JYJNAYRXSA-N 351.470 1.274 0 50 FDAA CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)Cc1cc(Cl)cn1C 154223515 IQQCAQOMXKIFGH-AWEZNQCLSA-N 361.895 1.841 0 50 FDAA CCCS(=O)(=O)Nc1ccc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1 263976102 ZGBSZVUKQCEBNR-HNNXBMFYSA-N 374.484 1.145 0 50 FDAA CN(Cc1ccon1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 265803701 KMPOKKKVISXFKO-LBPRGKRZSA-N 355.441 1.548 0 50 FDAA Cc1cc(C(=O)N2C[C@H]3COC[C@@H](C2)CN3CC(=O)O)ccc1Cl 1704336333 GFDKEGZVBXPKHM-OCCSQVGLSA-N 352.818 1.506 0 50 FDAA O[C@@H]1CN(CCn2ccnc2)C[C@H]1Oc1cnn(Cc2ccccc2)c1 859391276 ODJKNYFXELEUJR-RTBURBONSA-N 353.426 1.252 0 50 FDAA O=C(OCc1ccco1)c1cccc(S(=O)(=O)N2CCOCC2)c1 716804 YGLDVKOHMAKTKU-UHFFFAOYSA-N 351.380 1.658 0 50 FDAA O=C(N[C@H](CNC(=O)c1cccnn1)C1CC1)c1ccc2cccnc2c1 2325870732 MQCQQVSMYJXVCT-GOSISDBHSA-N 361.405 1.963 0 50 FDAA CC(C)N1C(=O)CO[C@H](C(=O)N2C[C@H]3C[C@@H](O)C[C@H]3C2)[C@H]1c1ccccc1 2356135889 XLXPIBCNMLMNEW-DSJDWBEOSA-N 372.465 1.593 0 50 FDAA CN(C)c1ccc(-c2ccnc(N[C@@H](Cc3cnc[nH]3)C(N)=O)n2)cc1 2356139885 LIFPKADEGJCKTH-INIZCTEOSA-N 351.414 1.441 0 50 FDAA CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCO)C(=O)O)cccc12 3646616 QFJGUMIWUGKKGI-ZDUSSCGKSA-N 352.412 1.020 0 50 FDAA O=C(c1cccnc1N1CC[C@](O)(c2ccccc2)[C@@H](O)C1)N1CCCC1 2356161512 YBUPFHKOSFGHLV-RXVVDRJESA-N 367.449 1.776 0 50 FDAA COc1ccc2c(C)c(C(=O)Nc3cc(=O)n(C)c(=O)n3C)oc2c1OC 2356163997 ABYFDLVWAJXHNF-UHFFFAOYSA-N 373.365 1.408 0 50 FDAA O=C(NCCO)c1ccc(CSc2nc3ccccc3c(=O)[nH]2)cc1 9045156 GUDWUJCGSHWSQR-UHFFFAOYSA-N 355.419 1.938 0 50 FDAA O=C(NCc1cc(Cl)c2c(c1)OCCO2)N[C@@H]1CCc2ncnn2C1 171868270 SCSGQROABNMBSC-LLVKDONJSA-N 363.805 1.517 0 50 FDAA O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc2c(c1)OCCO2 100453963 ZJUKMJZCXCTAJZ-KBPBESRZSA-N 356.378 1.738 0 50 FDAA CC(=O)Nc1cccc(NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)c1 10335519 OEVGLHBIUFQJLA-UHFFFAOYSA-N 368.459 1.102 0 50 FDAA C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO 3913922 AODPIQQILQLWGS-FDSHTENPSA-N 366.498 1.653 0 50 FDAA endogenous,in-man O=C(CCn1nc(C2CCNCC2)n(-c2ccccc2)c1=O)N1CCCC1 67740520 JFLZAXNDVVQVRC-UHFFFAOYSA-N 369.469 1.514 0 50 FDAA CCCn1nccc1C(=O)N1C[C@@H](C(=O)O)C[C@@H](C(=O)N2CCCC2)C1 72164309 VVWDXWDQPLAXPW-KGLIPLIRSA-N 362.430 1.078 0 50 FDAA COC(=O)c1cc2oc3ccccc3c2n1C[C@H](O)CN1CCN(C)CC1 22870929 UIENJSLFIPQCGC-CQSZACIVSA-N 371.437 1.782 0 50 FDAA O=C(c1cc2ncccn2n1)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 65373603 TXDRTRRMCBTUAZ-DZGCQCFKSA-N 366.377 1.449 0 50 FDAA CC(C)c1nc(CNC(=O)c2ccc(N(C)Cc3nncn3C)nc2)no1 67855103 MJBITNUJFOWNOA-UHFFFAOYSA-N 370.417 1.283 0 50 FDAA CCn1cc(Br)c(C(=O)NC(=S)Nc2cnn(C)c2C)n1 648381 PJNAJYMBARKRKX-UHFFFAOYSA-N 371.264 1.834 0 50 FDAA O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1cn2ccsc2n1 328680626 CCKPVCWTVBQLNK-UHFFFAOYSA-N 364.452 1.390 0 50 FDAA CCOCCNC(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71763149 VQTAXACPXMCHNE-LJQANCHMSA-N 374.529 1.911 0 50 FDAA COc1ccc(S(=O)(=O)N2C[C@@H](NC(C)=O)[C@H](C(C)C)C2)cc1F 77297822 DSHBEPKOXVHZHU-DZGCQCFKSA-N 358.435 1.616 0 50 FDAA CCCCN(C)C(=O)c1nc2ccccn2c1CN1CC[C@@H](C(=O)NC)C1 71780034 GGLXXZFRJMTTPV-OAHLLOKOSA-N 371.485 1.774 0 50 FDAA COc1ccc2cc([C@H]3CN(Cc4nc(C(N)=O)no4)CCO3)ccc2c1 71763744 SRGIMXXJTHRHOX-MRXNPFEDSA-N 368.393 1.904 0 50 FDAA Cc1ncncc1C(=O)N1CCC(c2nnc(CN3CCCC3)n2C)CC1 77456305 NHNREBKCBHSRTM-UHFFFAOYSA-N 369.473 1.529 0 50 FDAA Cn1c(O)ncc(C(=O)N[C@@H](CC(=O)O)c2ccc(C(C)(C)C)cc2)c1=O 262476740 CSWAALZQGFRWFB-AWEZNQCLSA-N 373.409 1.729 0 50 FDAA O=C1c2ccccc2C(=O)N1CCNC(=O)N1CCCC[C@@H]1c1cc[nH]n1 376620298 CLZQFVOJIQRDFY-MRXNPFEDSA-N 367.409 1.943 0 50 FDAA Cc1nnc(CN(C)CC(=O)N2CCN(C)C[C@@H]2c2ccccc2)n1C 131802187 QNHUATPEXXQTRY-QGZVFWFLSA-N 356.474 1.071 0 50 FDAA CCS(=O)(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 77321436 PUUDNDCDBGGUGS-KRWDZBQOSA-N 351.472 1.636 0 50 FDAA C[C@H](C(=O)N1C[C@@H](C(=O)O)[C@H](c2ccc(Cl)cc2)C1)S(C)(=O)=O 263085692 MFBIPDDOLAQGFK-JIMOISOXSA-N 359.831 1.400 0 50 FDAA Cc1ccn2ncc(C(=O)N[C@H]3CCCN(c4cc(C)nn4C)C3=O)c2n1 174999204 GDSXNELKOYFPCB-AWEZNQCLSA-N 367.413 1.005 0 50 FDAA Cc1nccc(N2CCN(C(=O)c3cc(=O)c4ccc(F)cc4o3)CC2)n1 286089074 NTBMQFSYQZNKGG-UHFFFAOYSA-N 368.368 1.993 0 50 FDAA O=C(c1cccc(N2CCCNC2=O)c1)N1CCO[C@@]2(CCCOC2)C1 286263848 HQNCWSPTYMFLIN-IBGZPJMESA-N 359.426 1.628 0 50 FDAA Cc1cc(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)c2cnn(C)c2n1 175836270 GNFYCHIIMYSUQZ-CYBMUJFWSA-N 353.430 1.409 0 50 FDAA CN(C)C(=O)Cn1cnc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)n1 175943008 OAIRRRDVMVUAMV-AWEZNQCLSA-N 360.393 1.874 0 50 FDAA Cc1ccc(CN2CCN(C(=O)N[C@H]3CN4CCC3CC4)CC2=O)cc1C 426501716 FJAQQQUEILEPMJ-IBGZPJMESA-N 370.497 1.751 0 50 FDAA CCC(=O)NCc1cc2n(n1)CCN(C(=O)c1cc3cc(C)ccn3n1)C2 426661411 XLLISLITWTUHGD-UHFFFAOYSA-N 366.425 1.521 0 50 FDAA Cn1ccnc1C(=O)N1CCC[C@@H]1c1ccc(C(=O)N2CCOCC2)s1 20867204 MFBNSIOZXZDKCQ-CYBMUJFWSA-N 374.466 1.931 0 50 FDAA O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1CCOC[C@H]1Oc1ccccn1 222525032 DVUGNAHFJIOILE-RHSMWYFYSA-N 356.378 1.706 0 50 FDAA Cc1ncccc1Oc1ncnc(N2CC[C@@]3(CC(=O)NC3=O)C2)c1C 82108605 INJQSUWJZOFGAQ-GOSISDBHSA-N 353.382 1.524 0 50 FDAA CCN(C)C[C@@H]1CN(C(=O)c2cc(O)c3cccc(F)c3n2)C[C@@H]1CO 91871305 AGOZYXWNUZSZIF-CHWSQXEVSA-N 361.417 1.712 0 50 FDAA Cc1cc(C)n([C@H]2CCN(C(=O)CNS(=O)(=O)c3cccs3)C2)n1 91848364 XEGRCEVGEMFJHJ-ZDUSSCGKSA-N 368.484 1.313 0 50 FDAA O=C(NCc1noc(-c2ccco2)n1)[C@@H](c1cccnc1)N1CCOCC1 97553275 BEUMZVXOINSJES-MRXNPFEDSA-N 369.381 1.414 0 50 FDAA CC(=O)c1cc(CN2CCn3nc(CNc4ncccn4)cc3C2)n(C)c1 426526002 GYKQUZZKZCQRSB-UHFFFAOYSA-N 365.441 1.842 0 50 FDAA CCc1c(C)nn(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccncc3)C2)c1C 95517616 FGODIGCVTXMMCX-QGZVFWFLSA-N 369.469 1.622 0 50 FDAA O=C(O)[C@@H]1CN(C(=O)c2cnn3cccnc23)C[C@H]1c1cccc(F)c1 91693820 FZPWTCMQINYHAO-LSDHHAIUSA-N 354.341 1.809 0 50 FDAA Cc1nccn1CCC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccncc1)C2 91847702 HDQPYGGTNDPCAY-FUHWJXTLSA-N 367.453 1.740 0 50 FDAA CCCCN1C[C@@]2(CCCN(C(=O)CN3CCOCC3)C2)CCC1=O 91725990 CBYSFAQKYYCPPB-LJQANCHMSA-N 351.491 1.350 0 50 FDAA CCOc1ccc(CN2C[C@H](CO)[C@H](CN3CCC(CO)CC3)C2)cc1 92076844 JTGVGECSBVRCHA-WOJBJXKFSA-N 362.514 1.830 0 50 FDAA COC(=O)CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C(C)C)cc2)C1=O 253413999 WEGXAPNPTGSHJM-AWEZNQCLSA-N 361.398 1.304 0 50 FDAA O=C(O)c1csc(CNC(=O)c2nc(N3CCCC3)ncc2Cl)n1 299749595 KXYKCRGGCTYGME-UHFFFAOYSA-N 367.818 1.815 0 50 FDAA COC(=O)c1cn(-c2cccc(CC(=O)N(C)C)c2)cc2c(=O)[nH]nc1-2 252506606 WBMUJLUGGWQSKL-UHFFFAOYSA-N 354.366 1.083 0 50 FDAA O=c1cc(-c2ccccc2)c2ccc(O[C@@H]3OC[C@H](O)[C@@H](O)[C@H]3O)cc2o1 254291877 PVKGASGRNLMGPG-OBZTUIKSSA-N 370.357 1.278 0 50 FDAA COc1cc(NC(=O)CN(C)CC2(CO)CCOCC2)cc(OC)c1 252479791 BMVWEVYPJRJALW-UHFFFAOYSA-N 352.431 1.363 0 50 FDAA CC(C)N=c1cc(-c2ccc(C(=O)N3CCN(C)CC3)cc2)nc(N)[nH]1 534581958 GTWLDYRDHLZGAI-UHFFFAOYSA-N 354.458 1.356 0 50 FDAA CS(=O)(=O)N1CCn2nc(CNC(=O)c3ccc(Cl)s3)cc2C1 299796036 MVPLFXHZGDBGOV-UHFFFAOYSA-N 374.875 1.303 0 50 FDAA O=C(O)COCCCCCOCCOCCCCCOCC(=O)O 1775937482 OAISFDJULXOPPD-UHFFFAOYSA-N 350.408 1.563 0 50 FDAA CCn1cc(NC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2)nn1 299784206 LKRSMALLDIBEGT-UHFFFAOYSA-N 372.838 1.051 0 50 FDAA O=C(c1cc2c(nc1O)CCCC2)N1CC[C@@H](Nc2ncccn2)[C@H](O)C1 299786675 ODBITLFDBZBWLR-HZPDHXFCSA-N 369.425 1.144 0 50 FDAA COc1ccc(C[C@H](N)C(=O)Nc2cccc(NC(=O)CN(C)C)c2)cc1 824673637 HGNOASZEXJQMJK-SFHVURJKSA-N 370.453 1.704 0 50 FDAA COc1cccc2c1OC[C@H](NC(=O)c1ccc3c(c1)ncn3CCO)C2 670467119 HDHKBMMBDVEWHU-OAHLLOKOSA-N 367.405 1.771 0 50 FDAA C[C@H](CCc1ncnn1-c1ccc2c(c1)OCCO2)N1CCN(C)CC1 670438927 MGUYJMFSYZXUNI-OAHLLOKOSA-N 357.458 1.607 0 50 FDAA Cc1noc(C)c1Cc1nc(CC(N)=O)nn1-c1ccc2c(c1)CCC2 670458253 NLDXAQMTDFYJDX-UHFFFAOYSA-N 351.410 1.979 0 50 FDAA CCNC(=O)c1c(NC(=O)C[C@H]2CNCCO2)sc2c1CCCC2 67757226 IZVPHGCMDNIOSF-NSHDSACASA-N 351.472 1.694 0 50 FDAA CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)N1CC(C(N)=O)C1 1875335005 OMEQVLZLDCUMNL-QGZVFWFLSA-N 358.486 1.586 0 50 FDAA Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@H]1CCc2cn(C)nc2C1 1875321387 HBSVIVBZRSJQEP-AWEZNQCLSA-N 351.476 1.650 0 50 FDAA NCc1nc(C(=O)Nc2ccc(NC(=O)CN3CCCCC3)cc2)co1 952962080 ABOGHTBUHJDQMQ-UHFFFAOYSA-N 357.414 1.810 0 50 FDAA CCc1cc(C(=O)N2C[C@@H](O)[C@H](CC(=O)NC)C2)ccc1Br 1875403843 GSLXORCTXQWWBG-TZMCWYRMSA-N 369.259 1.581 0 50 FDAA O=C(Cn1c(=O)oc2ccccc21)NCc1csc(-c2ncccn2)n1 952970094 HIFHKIFPYCFHCX-UHFFFAOYSA-N 367.390 1.824 0 50 FDAA O=C(c1ccc(NC2CCN(C[C@H]3CCCO3)CC2)nc1)N1CCOCC1 881805581 OYWVONWHDPGFPM-GOSISDBHSA-N 374.485 1.609 0 50 FDAA CN(C)Cc1cc(O[C@H]2CCN(C(=O)c3cccn(C)c3=O)C2)ccn1 886095319 RKQOVPWBPBXVLK-INIZCTEOSA-N 356.426 1.135 0 50 FDAA COc1ccc(CN2CC[C@H](Oc3ccnc(CNC(C)=O)c3)C2)cn1 886050535 WWVZGHKNCLACCJ-SFHVURJKSA-N 356.426 1.775 0 50 FDAA O=C1O[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2N1CCCN1CCOCC1 1565511428 ASGFTQSQWDDLJX-MSOLQXFVSA-N 363.433 1.553 0 50 FDAA C[C@]1(c2ccc(C(=O)NC3CCC(C(=O)O)CC3)cc2)NC(=O)NC1=O 268924683 DJCUBXFFJUBMNR-LJMKFJKQSA-N 359.382 1.114 0 50 FDAA COc1cccc(-c2n[nH]cc2C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3C)c1 75918555 BZWVBFFNCYHPMI-KGLIPLIRSA-N 354.410 1.778 0 50 FDAA CS(=O)(=O)c1ccc(N(C[C@H]2CCOC2)C2CC2)c(S(C)(=O)=O)c1 274258673 ZZLYZUNQZOFGOO-GFCCVEGCSA-N 373.496 1.499 0 50 FDAA Cn1ccnc1C(=O)N1CCCN(C(=O)c2cc3ccccc3cn2)CC1 1529110042 JJNPEEPXPZQTKR-UHFFFAOYSA-N 363.421 1.957 0 50 FDAA COc1ccc(CC(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)cc1OC 1529133915 NAAQMFIVMUHQMX-OWCLPIDISA-N 360.454 1.962 0 50 FDAA CCc1nn(C)c(NC(=O)[C@H]2CC(=O)N(Cc3ccncc3)C2)c1CC 1529144177 PYZPFHOVYYLWHN-AWEZNQCLSA-N 355.442 1.927 0 50 FDAA Cc1cc(C[C@@H]2CN(Cc3ccc(Cn4cccn4)cc3)C[C@H]2O)n[nH]1 1529158675 INTHZXAWQSINIO-UYAOXDASSA-N 351.454 1.998 0 50 FDAA Cc1ccc2[nH]c(C(=O)N[C@@H]3COC[C@H]3CS(=O)(=O)N(C)C)cc2c1 1704303609 LTRSSTKROLQAOU-XJKSGUPXSA-N 365.455 1.113 0 50 FDAA Cc1n[nH]c(C)c1CN1CC[C@H]2[C@H](CCC(=O)N2CCc2cnc[nH]2)C1 216851057 ZBEWUOPEMBIDRS-QAPCUYQASA-N 356.474 1.805 0 50 FDAA O=C(CCc1ccncc1)N1C[C@H]2CN(Cc3ccoc3)C[C@]2(CO)C1 1772804809 DXCMREZUBPYERS-UYAOXDASSA-N 355.438 1.560 0 50 FDAA CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@H]1c1cc(C)ccc1C 19857563 CGKRRPKSMDRNSG-SFHVURJKSA-N 373.453 1.807 0 50 FDAA COc1cc(C(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)nc2ccccc12 1857718700 PBGKBFXGAGXMNM-XLIONFOSSA-N 367.405 1.807 0 50 FDAA CCN1CCN(S(=O)(=O)c2cccc3c2OCCO3)C(C)(C)C1=O 330203385 ATGASERSEJISGS-UHFFFAOYSA-N 354.428 1.089 0 50 FDAA COc1ccc2c(c1)C[C@H](C(=O)N1CCNC(=O)[C@H]1c1ccccc1)CO2 125266077 KRTHBRAZLBNODE-QFBILLFUSA-N 366.417 1.946 0 50 FDAA CN1CC[C@@H](NC(=O)N[C@@H]2C=C[C@H](CO)C2)[C@@H]1c1ccc(F)c(F)c1 131933364 AQYQNTKCARIZSU-AADNMHCOSA-N 351.397 1.946 0 50 FDAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Cn1c(=O)oc3ccccc31)C2 247965245 BGPLFGNBVYMERD-KGLIPLIRSA-N 357.410 1.454 0 50 FDAA CCc1ccc(CN2CCN(C(=O)C(C)C)[C@H]3CS(=O)(=O)C[C@H]32)nc1 248179113 XOUXMKJAQNQCSQ-SJORKVTESA-N 365.499 1.110 0 50 FDAA O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)N1CCOCC1 265127100 HLMOWQYMADHGBF-ZDUSSCGKSA-N 373.331 1.732 0 50 FDAA O=S(=O)(c1cncc(Br)c1)N1CC[C@H](N2CC=CC2)C1 266185163 LWISBJBOQZAKFP-LBPRGKRZSA-N 358.261 1.479 0 50 FDAA Cc1cc(N2CC[C@H](N3CCN(Cc4ccccc4)CC3)C2=O)n(C)n1 173510469 KOZMQNQWCGWBDZ-SFHVURJKSA-N 353.470 1.652 0 50 FDAA CCO[C@@H]1CN(C(=O)c2nn(-c3cccc(C)c3C)cc2O)C[C@@H]1CO 2325757793 HSQJXGMPPIYDRC-RHSMWYFYSA-N 359.426 1.664 0 50 FDAA CCn1nc(C)c(C(=O)N(C)C[C@H](O)CN(C)CC=C(Cl)Cl)n1 2325794347 ZCVOXLIILFLBBT-LLVKDONJSA-N 364.277 1.290 0 50 FDAA CCSCC(=O)NCCN1CCN(c2nc(Cl)ncc2C)CC1 2325868018 LZEWAWMXNMHXQZ-UHFFFAOYSA-N 357.911 1.430 0 50 FDAA CC1(C)C[C@@H]1C(=O)Nc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2 2325893088 JCHCIOYCFPPSAH-YPMHNXCESA-N 355.394 1.432 0 50 FDAA O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)N1CCOCC1 791282 COVXFVRPQYENAG-UHFFFAOYSA-N 355.419 1.984 0 50 FDAA CC[C@H](C)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 851779 ZUTUWJYMCADJHD-LBPRGKRZSA-N 369.425 1.586 0 50 FDAA in-vitro 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50 FDAA COCc1nc(O)cc([C@H]2C[C@@H](NC(=O)c3cnc4ccnn4c3C)C2)n1 253535237 LCNVMKPADYUPAR-TXEJJXNPSA-N 368.397 1.356 0 50 FDAA CCn1cc(-c2ccc(C(=O)N3CCC4(CC3)NC(=N)NC4=O)cc2)cn1 534653687 RILGLYOKVJTGAR-UHFFFAOYSA-N 366.425 1.199 0 50 FDAA COCCn1ccc2c(OCC(=O)NCCNc3ncccn3)cccc21 263587735 KRBBYWAWORHNSZ-UHFFFAOYSA-N 369.425 1.685 0 50 FDAA COCCn1cnnc1CCNC(=O)Nc1ccc(OC)c(Cl)c1 299775658 MDTWHIOONXTLQK-UHFFFAOYSA-N 353.810 1.951 0 50 FDAA O=C(c1cccc(-c2ncc[nH]2)c1)N1CC[C@H]2[C@H](C1)OCc1cnnn12 299760213 HZDHVADUTOKPNN-HOTGVXAUSA-N 350.382 1.654 0 50 FDAA CC(C)Cc1ncc2c(n1)CN(C(=O)Cc1ccc(-n3cnnn3)cc1)C2 299800837 VXVHHWHRSFFUBA-UHFFFAOYSA-N 363.425 1.736 0 50 FDAA CNC(=O)c1cc(NC(=O)NCCN2CCCC[C@@H]2CO)ccc1OC 299770897 SJOQHEYGKOITGS-CQSZACIVSA-N 364.446 1.023 0 50 FDAA CC(C)n1cnnc1[C@@H](C)NS(=O)(=O)c1ccc(O)c(C(=O)O)c1 822280986 UKAPYDJZMCENBT-SECBINFHSA-N 354.388 1.302 0 50 FDAA Cc1nc2cc(CNC(=O)N3CCN(c4ncccn4)CC3)ccc2n1C 584887186 VJECRSGPVWDUEN-UHFFFAOYSA-N 365.441 1.704 0 50 FDAA Cc1ccccc1NC(=O)CCNC(=O)CSc1nnc(N)s1 670434584 OOEMBGIZXSEVAC-UHFFFAOYSA-N 351.457 1.666 0 50 FDAA CNC(=O)c1ncoc1[C@@H]1[C@H]2C[C@H]1N(C(=O)Cc1sc(C)nc1C)C2 1875394342 GAIJRZQXJMFDIB-MISXGVKJSA-N 360.439 1.665 0 50 FDAA Nc1ccnc(N2CCC(CNC(=O)c3cccc4nccnc34)CC2)n1 952976315 IHBQAJRVGPOVGC-UHFFFAOYSA-N 363.425 1.648 0 50 FDAA Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC(=O)c1cc2ncccn2n1 1565514086 IURREYXNEHUQTG-HOCLYGCPSA-N 371.397 1.438 0 50 FDAA Cc1ccn(CC(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2ccncc2)C3)n1 1565510788 DIAJPZLNUDUNJC-WBVHZDCISA-N 353.426 1.350 0 50 FDAA O=C(O)c1ccc(O[C@H]2CCOC[C@@H]2NC(=O)c2cccc(O)n2)cc1 1565526874 YIYNWYJXXNPVRC-GJZGRUSLSA-N 358.350 1.452 0 50 FDAA O=S(=O)(Cc1ccccc1CN1CCOC[C@@H](O)C1)c1ccccc1 77439063 URCGVVANZCIQCN-SFHVURJKSA-N 361.463 1.854 0 50 FDAA O=C1CN(CCNC(=O)NCc2ccc(F)cc2C(F)(F)F)CCN1 272952996 MWHZYRVOWOKZLE-UHFFFAOYSA-N 362.327 1.076 0 50 FDAA CN(C)CCc1ccc(NC(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)cc1 273908393 IOBCNDREXMORAO-UHFFFAOYSA-N 365.437 1.927 0 50 FDAA COCCN(CCOC)C(=O)Nc1ccc2c(c1)CCC(=O)N2COC 170619510 KEZHMJJRJXBPDA-UHFFFAOYSA-N 365.430 1.696 0 50 FDAA CN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1cn(CCN)nn1 77535081 RNGYJMXRDILCJX-UHFFFAOYSA-N 356.474 1.221 0 50 FDAA Cn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)NCCc2ccsc2)cn1 190067457 PESQSCQELXSUHI-AWEZNQCLSA-N 368.484 1.205 0 50 FDAA O=C1CC[C@@H](CN(Cc2ccncc2)C(=O)c2cccc3c2OCCO3)N1 1506409791 SYOJZMSYGTWPJX-HNNXBMFYSA-N 367.405 1.774 0 50 FDAA Cn1c(N[C@@H](Cn2cccn2)c2ccccc2)nc2c1c(O)nc(=O)n2C 1529119027 RKCUBGIRWFNEGB-ZDUSSCGKSA-N 365.397 1.423 0 50 FDAA O[C@H]1CCCN(c2ccnc(NC3CCN(Cc4cccnc4)CC3)n2)C1 1529187300 RHAGSVPGRSDAJY-SFHVURJKSA-N 368.485 1.909 0 50 FDAA O=C(Cc1ccc(F)cc1)N1C[C@H]2COC[C@@H](C1)CN2Cc1ncc[nH]1 1704304909 JBYOTCMALVNBPY-WBVHZDCISA-N 358.417 1.451 0 50 FDAA Cc1cnn(CCC(=O)N2CCCN(C(=O)[C@@H]3[C@H]4[C@@H]5CC[C@@H](C5)[C@H]43)CC2)c1 1704315394 BUMRRITYPOQOBL-JMKWWQJESA-N 370.497 1.935 0 50 FDAA COc1ccc(C(=O)N2CCCN(C(=O)CCc3ccnn3C)CC2)cn1 1704337526 VMMTVTKBZYFTSV-UHFFFAOYSA-N 371.441 1.131 0 50 FDAA Cc1cccc(CNC(=O)N2CC[C@H]3[C@H](CCC(=O)N3CCCO)C2)c1 215378474 PGSDEWXTICCZBJ-MSOLQXFVSA-N 359.470 1.900 0 50 FDAA COc1cccc(N2CCC(N3C[C@H](Cc4cnccn4)[C@@H](O)C3)CC2)c1 1615734307 FATCKIPCYOYQGY-KKSFZXQISA-N 368.481 1.989 0 50 FDAA O=C(C1CC1)N1CCN(Cc2ccccc2F)[C@@H]2CS(=O)(=O)C[C@@H]21 1616102074 MNXNLDHTOHAHOM-CVEARBPZSA-N 352.431 1.046 0 50 FDAA Cc1cc(O[C@H](C)C(=O)N2C[C@H]3[C@@H](C2)C3(CO)CO)cc(C)c1Cl 1772704258 HCJHOQPDSKOMEJ-YUELXQCFSA-N 353.846 1.783 0 50 FDAA CN(Cc1nc(-c2cccnc2)no1)C(=O)c1cc(N2CCOCC2)no1 1772817149 JOGCEOVZLFDMKE-UHFFFAOYSA-N 370.369 1.228 0 50 FDAA CS(=O)(=O)CCN1CCCN(C(=O)CCOc2ccccc2)CC1 1772711297 GZYHFZWXZAOPOZ-UHFFFAOYSA-N 354.472 1.034 0 50 FDAA CC(C)OCCNCc1ccccc1OC[C@H](O)CN1CCSCC1 11998334 YFXVTUTXDBELKI-GOSISDBHSA-N 368.543 1.990 0 50 FDAA O[C@H](COc1cccc(CNCCCn2ccnc2)c1)CN1CCOCC1 12305048 HVWOEERKINKJKV-IBGZPJMESA-N 374.485 1.135 0 50 FDAA O=C(CCN1CCCCCC1=O)N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 218912242 KOGQMGJEPJFKSB-KZNAEPCWSA-N 359.470 1.673 0 50 FDAA O=C(c1ccc(O)cn1)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857716998 KWZUPEWVQWCCAJ-HLIPFELVSA-N 365.389 1.702 0 50 FDAA CCCO[C@@H]1CC[C@H](C(=O)NCc2nnnn2-c2ccccc2)C[C@H]1N 1857730863 ANRBPRXABWVDMA-NUEKZKHPSA-N 358.446 1.201 0 50 FDAA O=C(c1ccn2nnnc2c1)N1C[C@@H]2CC[C@H]1CN(Cc1cscn1)C2 216900295 KOMSXPKCDBKQGH-DOMZBBRYSA-N 369.454 1.317 0 50 FDAA Cc1ccccc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O 363106814 ZYEYQCVFQDLLJD-GOSISDBHSA-N 365.433 1.642 0 50 FDAA C[C@H](c1ncc(C(C)(C)C)o1)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 161831843 QDKXAYGPFBMVAY-VXGBXAGGSA-N 357.476 1.268 0 50 FDAA CCc1ccc(S(=O)(=O)N2CC[C@@H](O)[C@@](CC3CC3)(C(=O)O)C2)s1 1704300781 ZQJCWKCBDHIHAX-CJNGLKHVSA-N 373.496 1.937 0 50 FDAA Cc1nc(CC(=O)N2CC[C@](Cc3ccccc3)(C(=O)O)[C@@H](O)C2)cs1 1704300183 PPKOAPRQDLDNIC-QFBILLFUSA-N 374.462 1.901 0 50 FDAA CCN1CC[C@@]2(CO)CCCN(C(=O)c3cc4c(nc3O)CCCC4)[C@@H]2C1 1704326802 NECRIJSWRGUUOK-WIYYLYMNSA-N 373.497 1.975 0 50 FDAA CCN1C(=O)C[C@H](NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O 19890174 NHEUHPOHCDLRNS-ZDUSSCGKSA-N 370.375 1.806 0 50 FDAA CN(C)C/C=C/C(=O)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 2325885114 XDCGIVMWOZBKET-OEMHODTASA-N 356.514 1.917 0 50 FDAA O=C(COc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 893056 BURZSKLNWIAUET-UHFFFAOYSA-N 360.435 1.599 0 50 FDAA O=C1N[C@@H](CC(=O)N2CCc3nc(C4CC4)nn3CC2)c2ccccc21 2356151673 SXJNECHPQFHMEI-HNNXBMFYSA-N 351.410 1.415 0 50 FDAA COc1ccc(-c2ccnc3nc(=NC(=O)[C@]4(C)CCC(=O)O4)[nH]n23)cc1 2356162212 BZFINBIMNWXJJI-SFHVURJKSA-N 367.365 1.256 0 50 FDAA CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C(=O)O)c3ccccc3)ccc21 2928254 XDPBBCWFSQYXFT-KRWDZBQOSA-N 374.418 1.700 0 50 FDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)O)CC2)cc1C 6729360 PXIIXTCKXKPTGI-UHFFFAOYSA-N 354.428 1.001 0 50 FDAA O=C(O)COc1ccc(CN2C[C@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2C3)cc1 102719171 BJNWZCHNIFALLZ-NUJGCVRESA-N 358.438 1.983 0 50 FDAA O=C(NCc1nc2ccccc2[nH]1)[C@@]12CNC[C@@H]1CN(C1CCCC1)C2 67982980 DTFLBSNDCBOZNQ-JLTOFOAXSA-N 353.470 1.643 0 50 FDAA CCCCNCc1ccc(OC)c(OC[C@H](O)CN2CCN(C)CC2)c1 20453690 FSIPFOCGOUUCPW-GOSISDBHSA-N 365.518 1.572 0 50 FDAA COCc1nc(C)c(C(=O)NS(=O)(=O)Cc2ccc(F)cc2)s1 136084569 IPVYTABCWOLVBR-UHFFFAOYSA-N 358.416 1.997 0 50 FDAA CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCOc2ccc(C)cc2)C1 65363224 RENYCCISGZPMFP-OAHLLOKOSA-N 354.472 1.552 0 50 FDAA CCCN(C)C[C@@]1(O)CCCN(Cc2cccc(OC)c2OC)C1=O 67920591 OIVBGYDHVBZYSQ-IBGZPJMESA-N 350.459 1.899 0 50 FDAA O=C(c1cc2n(n1)CCCN(c1nc3ccccc3o1)C2)N1CCOCC1 65425475 IKWLWRRCKSXDRH-UHFFFAOYSA-N 367.409 1.907 0 50 FDAA Nc1nnnn1Cc1nc(-c2ccccc2)nn1-c1ccc2c(c1)OCO2 63834687 IGMMKCLGOOOGEX-UHFFFAOYSA-N 362.353 1.280 0 50 FDAA CNC(=O)[C@H]1CCN(C(=O)c2coc(COc3ccc4c(c3)OCO4)n2)C1 67804330 BTNLFRBIAXYPCH-NSHDSACASA-N 373.365 1.190 0 50 FDAA Cc1ncccc1O[C@H]1CCN(S(=O)(=O)c2cc(Cl)cnc2N)C1 328616652 BYIQGUGYMBZLRP-LBPRGKRZSA-N 368.846 1.863 0 50 FDAA C[C@H](Cn1cncn1)C(=O)NCc1cccnc1-n1cnc2ccccc21 67908977 RCIWMUWTOAKUHG-CQSZACIVSA-N 361.409 1.965 0 50 FDAA CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)c2ccc(Cl)cn2)cn1 328618308 DOEZLUCXHSEYMY-CQSZACIVSA-N 368.846 1.563 0 50 FDAA O=C(NCCN1CCN(C(=O)[C@H]2CCCCO2)CC1)c1ccccc1F 122880103 USRCWBDVLNEIPY-QGZVFWFLSA-N 363.433 1.269 0 50 FDAA c1cc(-c2nc3c(c(NCCSc4ncn[nH]4)n2)CCNC3)ccn1 67787962 AFGLRGUJRWXQEQ-UHFFFAOYSA-N 354.443 1.507 0 50 FDAA CSc1ncc(C(=O)NC[C@@H](c2ccccn2)N2CCOCC2)cn1 219796136 AGWYXGDXBVNOJQ-HNNXBMFYSA-N 359.455 1.397 0 50 FDAA O=C(O)C1(n2cccn2)CCN(S(=O)(=O)c2ccccc2F)CC1 72422579 FYZLIHLEUVRYNN-UHFFFAOYSA-N 353.375 1.287 0 50 FDAA O=C(N[C@@H]1CCCc2ccccc21)c1ccc(CN2CC(O)C2)[nH]c1=O 77284919 YMWDEKGGIMISBU-GOSISDBHSA-N 353.422 1.359 0 50 FDAA CCN(CCc1nc2cc(OC)ccc2[nH]1)C(=O)[C@H]1NCCc2[nH]cnc21 72477196 ZKFKOPXHPCOYDL-SFHVURJKSA-N 368.441 1.573 0 50 FDAA CCc1cnc(N2CCN(C(=O)c3c(C)c(C)nn(C)c3=O)CC2)s1 332453070 MQYIGVDVHXNKJY-UHFFFAOYSA-N 361.471 1.378 0 50 FDAA O=C(C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)NCC1CC1 72168116 DKGCPJIHUIXNLL-OAHLLOKOSA-N 353.825 1.696 0 50 FDAA CN(C)Cc1nnc([C@H]2CCCN(C(=O)c3ccc4[nH]nnc4c3)C2)n1C 72429156 MFYBVNSXQURHNG-ZDUSSCGKSA-N 368.445 1.168 0 50 FDAA O=C(NCCN1C(=O)CCCC1=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 332907012 UAZXPARNLMCVAH-CABCVRRESA-N 363.458 1.071 0 50 FDAA CC(C)C1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)N[C@H](C)c1nncn1C 155600651 BWQCCZDDQWROBA-OCCSQVGLSA-N 354.414 1.667 0 50 FDAA C[C@H](COc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 72437360 IAMXTPASMDVLHJ-HUUCEWRRSA-N 369.487 1.089 0 50 FDAA O=S(=O)(NCCCN1CCC(O)CC1)c1cc(F)ccc1Cl 159014425 PKEUYVPWKCSXLM-UHFFFAOYSA-N 350.843 1.604 0 50 FDAA Cc1ccc(CNc2ncnc3c2CN(C)CC3)c(O[C@@H]2CCOC2)c1 370440219 GBWSIAPATWXPJK-MRXNPFEDSA-N 354.454 2.553 0 50 FDAA CCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)NCc1nnc2n1CCC2 72468916 WZCRDJDIJCRJHB-OAHLLOKOSA-N 360.506 1.037 0 50 FDAA CC(C)CC(=O)N1CCC[C@@H](c2nnc(CN3CCC(O)CC3)n2C)C1 72430819 XEIQULLNIOXTFM-OAHLLOKOSA-N 363.506 1.524 0 50 FDAA COc1ccc(C(=O)[C@H]2CCCN(c3cncc(C(N)=O)n3)C2)cc1F 71748247 OMSDXELRJNIFTQ-LBPRGKRZSA-N 358.373 1.823 0 50 FDAA Cc1nc(O)nc(C)c1CCC(=O)N[C@H](c1cnn(C)c1)[C@H]1C[C@H](O)C1 218959274 KQNHIWBTKYFDMK-QEORTHHSSA-N 359.430 1.094 0 50 FDAA COCCN(C)[C@H]1CN(C(=O)CCCc2c[nH]c3ccccc23)C[C@@H]1O 72426610 VJMMUZVJNDOJBL-OALUTQOASA-N 359.470 1.641 0 50 FDAA Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CC(OC(=O)NC(C)C)C1 288391023 YHBTYNWUWLGGPY-UHFFFAOYSA-N 354.428 1.358 0 50 FDAA CN1CCO[C@@H](CNC(=O)Nc2cc(Cl)c3c(c2)NC(=O)CO3)C1 426470907 QHSKNFHYIXVUAW-JTQLQIEISA-N 354.794 1.123 0 50 FDAA O=C(Cc1nc(O)n[nH]1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 426537822 YPSOAPIDZRGLKQ-UHFFFAOYSA-N 370.331 1.582 0 50 FDAA Cc1oc(-c2cnn(C)c2)nc1C(=O)NC[C@@H](C(C)C)N1CCOCC1 176907106 RZNGKPPTCXFUDS-HNNXBMFYSA-N 361.446 1.470 0 50 FDAA COc1ccccc1N1CCN(C(=O)[C@H](C)N2CCC(C)CC2)CC1=O 82133453 HBZDEYHJAFSHEC-INIZCTEOSA-N 359.470 1.991 0 50 FDAA Cc1c(CCNC(=O)N2CCNC(=O)CC2)c2cccc3c2n1CCC3 426473525 KSTIKCLNUKYLHK-UHFFFAOYSA-N 354.454 1.970 0 50 FDAA CCNC(=O)N1CC[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2ccccc2)C1 177950357 MMZYVRVDRGRNIP-HZPDHXFCSA-N 358.442 1.211 0 50 FDAA CN1C(=O)N(C)C2(CCN(C(=O)[C@H]3CCc4ccccc4O3)CC2)C1=O 220558351 BACRHDHIBMXIHV-OAHLLOKOSA-N 357.410 1.265 0 50 FDAA O=C(c1cnnn1-c1ccccc1)N1CCN(c2ccc3nccn3n2)CC1 426571535 AZMDTMDGEQUILD-UHFFFAOYSA-N 374.408 1.272 0 50 FDAA O=C(c1ccc(-c2ncccc2F)cc1)N1CCN(Cc2nc[nH]n2)CC1 426666979 KVOUEMDBABMFAH-UHFFFAOYSA-N 366.400 1.964 0 50 FDAA Cc1cc([C@@H]2CCCCN2C(=O)Cn2ncc(N3CCCC3)cc2=O)no1 95525256 XYCQAVBSAVRTTJ-KRWDZBQOSA-N 371.441 1.894 0 50 FDAA CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc2ccc(Cl)cc2n1C 426599764 PNFNDUMPPFTAAB-BXUZGUMPSA-N 356.831 1.374 0 50 FDAA NC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)c2ccc(Cl)cc2O)C1 95522221 MDGXCUXSHKRBPY-NSHDSACASA-N 362.817 1.747 0 50 FDAA CN(CCNC(=O)[C@@H]1CC(=O)N(Cc2cccnc2)C1)c1ccccc1 95518535 TXACQTQZYYHPLJ-QGZVFWFLSA-N 352.438 1.683 0 50 FDAA C[C@H](NS(=O)(=O)c1cccc(C(=O)NC2CCC2)c1)c1nncn1C 95360155 XOOCEFAUIKIJTR-NSHDSACASA-N 363.443 1.137 0 50 FDAA Cc1cccc2c1cc(C(=O)N1CC[C@]3(CCCN(CCO)C3=O)C1)n2C 91746471 GOWPSCQVTFLQQC-OAQYLSRUSA-N 369.465 1.934 0 50 FDAA CCCCN1CCc2[nH]cnc2C12CCN(C(=O)[C@@H](C)n1cncn1)CC2 92107760 DWYGGGGTIIKIRS-OAHLLOKOSA-N 371.489 1.738 0 50 FDAA Cc1cc2nc(C(=O)N3CCNC(=O)[C@H]3c3cccc(F)c3)cc(C)n2n1 97425172 CCEXWTRYDHWEHE-QGZVFWFLSA-N 367.384 1.799 0 50 FDAA Cc1n[nH]c(C)c1CN(C)S(=O)(=O)c1cccc(C(=O)N(C)C)c1 97155831 XJSQOPJWPAODPD-UHFFFAOYSA-N 350.444 1.549 0 50 FDAA CS(=O)(=O)N1C[C@H]2CN(CCSc3ccccc3)C[C@@]2(C(=O)O)C1 96139888 YGTPMHMTXAEFEG-CZUORRHYSA-N 370.496 1.057 0 50 FDAA CCC(=O)C(=O)N1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 91691739 XCBCRUVRLCQDEA-UHFFFAOYSA-N 356.430 1.543 0 50 FDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccco1)CC2 95521820 YYEYFRWFCNFVBB-UHFFFAOYSA-N 358.398 1.165 0 50 FDAA Cc1nc([C@@H]2CCCN(C(=O)c3cc(=O)c4ccccc4[nH]3)C2)cc(=O)[nH]1 95384546 KIQMYFHWVWYSET-CYBMUJFWSA-N 364.405 1.940 0 50 FDAA COCCN1CC2(CCC1=O)CCN(S(=O)(=O)c1cnoc1C)CC2 91468338 JJFDCCVYFRUXIM-UHFFFAOYSA-N 371.459 1.023 0 50 FDAA COc1ccc(Cl)cc1NC(=O)N1CCN(CCn2cncn2)CC1 96151897 LRFDGXHJDLVXEB-UHFFFAOYSA-N 364.837 1.790 0 50 FDAA C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCc3ccoc3)cc2)CCN1 91849174 YIZMHWOKAYLBQB-CYBMUJFWSA-N 363.439 1.192 0 50 FDAA C[C@@H](O)CN1CC2(CCC1=O)CCN(C(=O)CCc1cccnc1)CC2 91770717 QNDYZEIYQIYVSG-MRXNPFEDSA-N 359.470 1.626 0 50 FDAA COCCN1CC2(CCC1=O)CCN(C(=O)CCn1cc(C)cn1)CC2 91769631 LIBZDQQOIPNUNS-UHFFFAOYSA-N 362.474 1.459 0 50 FDAA C[C@H]1CN(C(=O)Cn2ncc(N(C)Cc3ccccc3)cc2=O)C[C@@H](C)O1 95358037 DVQOMAUCXPRNHE-IYBDPMFKSA-N 370.453 1.516 0 50 FDAA CCCCCc1ccc(NC(=O)N2CCNC(=O)[C@H]2CC(=O)NC)cc1 97711831 AYWAMSRQDDWCBW-MRXNPFEDSA-N 360.458 1.888 0 50 FDAA NCC1CCN(c2cnn(Cc3noc(-c4ccccc4)n3)c(=O)c2)CC1 95362283 YWLJNOVIUFCPIR-UHFFFAOYSA-N 366.425 1.517 0 50 FDAA CC1(C)C[C@@H](NC(=O)COc2ccc3nncn3n2)c2ccccc2O1 244574942 CTYGCPKKYRPSCD-CYBMUJFWSA-N 353.382 1.922 0 50 FDAA O=C(Cc1ccsc1)N[C@H]1C[C@@H](c2cc(N3CC[C@H](O)C3)ncn2)C1 244673690 HTVIWYOFKXUUMO-ZNMIVQPWSA-N 358.467 1.714 0 50 FDAA CCc1nccn1CCN1CCCN(S(=O)(=O)N2CCCCC2)CC1 244817176 SVMKQZJAWXBJGU-UHFFFAOYSA-N 369.535 1.184 0 50 FDAA Cc1nc(C)c(CC(=O)N[C@H](Cc2ccncc2)[C@H]2C[C@@H](O)C2)c(O)n1 253535309 SJTNDMJGGGLLSM-HLLBOEOZSA-N 356.426 1.235 0 50 FDAA CC(C)Cc1cc(C(=O)N[C@H](C2CCNCC2)[C@H]2C[C@H](O)C2)nc(N)n1 252523213 CBOPQJXWIMWVRE-FRFSOERESA-N 361.490 1.126 0 50 FDAA O=C(NC1(C(=O)O)CCCC1)c1ccc(Cl)c(N2CCNC2=O)c1 299753856 ZOQCEALQTULDIX-UHFFFAOYSA-N 351.790 1.997 0 50 FDAA O=C(N[C@H]1CCOC1)c1cccc(-c2ncc(F)c(N3CCOCC3)n2)c1 534669727 KTZBMKYVNWWFSB-HNNXBMFYSA-N 372.400 1.638 0 50 FDAA CCn1cc(C(=O)N2CC[C@]3(OC)CC[C@@H](OCC(=O)O)C[C@H]23)cn1 299764094 RZRFYPHPIIFJOW-JKIFEVAISA-N 351.403 1.156 0 50 FDAA CCc1nccn1CCC(=O)N1CCc2nc(N(C)C)nc(O)c2CC1 299772392 VRNYBAJKIMATHE-UHFFFAOYSA-N 358.446 1.025 0 50 FDAA CCc1noc(-c2ccccc2NC(=O)NCCc2n[nH]c(=O)n2C)n1 299787455 NYYOYSBGUQSBMC-UHFFFAOYSA-N 357.374 1.085 0 50 FDAA CCOc1c(CN(C)C(=O)[C@H]2CCc3nn(C)c(=O)n3C2)cccc1OC 299793068 JGPWLXGVAYDDCT-AWEZNQCLSA-N 374.441 1.210 0 50 FDAA COC(=O)c1ccc(C(=O)N2CCc3nnc(N4CCCC4)cc3C2)[nH]1 952892707 IZUCCWMKRBGLRS-UHFFFAOYSA-N 355.398 1.390 0 50 FDAA Cc1nnc2ccc(N[C@@H]3CCO[C@H]3C3CCN(C(=O)C4CC4)CC3)nn12 952852560 ABSIBXBQJWJLSB-QAPCUYQASA-N 370.457 1.651 0 50 FDAA Cn1ccc(-c2cc(C(=O)NN3CCN(CC(F)(F)F)C3=O)no2)n1 1875274370 XWPGNFCEGRTDHU-UHFFFAOYSA-N 358.280 1.020 0 50 FDAA COc1cccc(-c2cc(NC(=O)[C@H](N)c3cn(C)nc3C)n(C)n2)c1 1875315024 FGMKTZDZGSPUMO-QGZVFWFLSA-N 354.414 1.776 0 50 FDAA Cc1nc(C(=O)N2CCCC23CCOCC3)nc(N2CC[C@@H](N)C2)c1C 1875400873 AVHMZOGHEQUCDJ-OAHLLOKOSA-N 359.474 1.416 0 50 FDAA Cc1ccc(S(=O)(=O)NCCCN[C@@H](C)Cn2ccnc2C)cc1 952968738 LKELRXPCKLKWSF-HNNXBMFYSA-N 350.488 1.847 0 50 FDAA CN1C(=O)CC[C@H](CNc2ccnc3c2cnn3C)[C@H]1c1cnn(C)c1 886088733 QZCAUXLISGIFNQ-PXAZEXFGSA-N 353.430 1.723 0 50 FDAA CCN1CCO[C@@H](CNc2ccc3nnc(C)n3n2)[C@@H]1c1ccnn1C 886080481 ZMVDGPNWZQBXDJ-YOEHRIQHSA-N 356.434 1.040 0 50 FDAA COc1cccc2[nH]cc(CC(=O)O[C@@H]3C(=O)NCC34CCOCC4)c12 1346235239 JKBFMVCQNTYWGW-QGZVFWFLSA-N 358.394 1.557 0 50 FDAA O=C(O)CO[C@H]1COCC[C@@H]1NC(=O)c1cc(O)c2cccc(F)c2n1 1565514061 IDXLABGICIJSMM-FZMZJTMJSA-N 364.329 1.068 0 50 FDAA CC1(C(=O)N2CC[C@]3(O)CCN(c4cc(N)ncn4)C[C@@H]3C2)CCCC1 1565513251 FAWHPJKWIDRMMA-AUUYWEPGSA-N 359.474 1.429 0 50 FDAA C[C@@H]1CCn2ncc(C(=O)NS(=O)(=O)c3ccc(Cl)cn3)c2C1 408496071 FXTIMWKXALUIPD-SECBINFHSA-N 354.819 1.633 0 50 FDAA O=C(c1ccnc(O[C@@H]2CCOC2)c1)N1CCCN(c2ccccn2)CC1 186401315 KEVXVJHTXURZQJ-QGZVFWFLSA-N 368.437 1.997 0 50 FDAA Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)o1 198452602 VKRJDSJZJWJAEU-KRWDZBQOSA-N 356.378 1.712 0 50 FDAA CC(C)c1nccn1CCCNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 1529168632 IZKQCXOBRAYKCQ-MSOLQXFVSA-N 370.453 1.769 0 50 FDAA Cc1ccc(Cl)c(CN2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)c1F 1529173361 VKUQHQYQQVOLGP-SMDDNHRTSA-N 364.870 1.472 0 50 FDAA COc1cc(-c2onc(NC[C@@H]3CNCCO3)c2C(=O)O)ccc1F 1704335322 NIDLWBORQAMOBQ-JTQLQIEISA-N 351.334 1.588 0 50 FDAA Cc1cc(C[C@@H]2CN(C(=O)c3ccccc3-n3cnnc3)C[C@H]2O)on1 1704337875 GLLNLDXGMNSRIB-CXAGYDPISA-N 353.382 1.239 0 50 FDAA O=C1NC[C@]2(C(=O)O)CN(C(=O)c3cccc4c(Cl)cccc34)C[C@H]12 216829274 YCBVQDFWZMNJMT-ACJLOTCBSA-N 358.781 1.766 0 50 FDAA COC(=O)C1=C(C)NC(=O)[C@@]1(NC(=O)c1cccc(C)c1)C(F)(F)F 5078217 PPYLCPPFDHYUJO-OAHLLOKOSA-N 356.300 1.603 0 50 FDAA CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(S(=O)(=O)N(C)C)C1 12300855 GZFCHLJGMTYPMF-QGZVFWFLSA-N 354.472 1.681 0 50 FDAA O=C(c1cn(C2CCCCC2)nn1)N1CCC(N2CCC[C@@H](O)C2)CC1 12592864 SWEGAAWZNQFSBM-QGZVFWFLSA-N 361.490 1.845 0 50 FDAA O=C(CCCn1nnnc1CN1CCOCC1)N[C@@H]1CCc2ccccc21 19788820 QAFNNEQSEVQXAP-QGZVFWFLSA-N 370.457 1.089 0 50 FDAA CCS(=O)(=O)Nc1ccc(C(=O)N2CCC(OCCOC)CC2)cc1 19840088 FDJQZQDSDDAJRJ-UHFFFAOYSA-N 370.471 1.716 0 50 FDAA Cc1ccc(-c2nc([C@@H]3CCn4ncnc4C3)n(-c3cnn(C)c3)n2)o1 1857672094 JHRXSABZPPTIOK-GFCCVEGCSA-N 350.386 1.891 0 50 FDAA Cc1ccc(-c2nc([C@H]3CCn4ncnc4C3)n(-c3cnn(C)c3)n2)o1 1857672095 JHRXSABZPPTIOK-LBPRGKRZSA-N 350.386 1.891 0 50 FDAA CN(C)c1nc2c(c(=N[C@@H]3C[C@H]4CO[C@@H](C5CC5)CN4C3)[nH]1)CCCC2 1857682985 NVNDGKNIWQHVFB-RVKKMQEKSA-N 357.502 1.507 0 50 FDAA O=C(c1ccnc(O)c1)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857730915 CIYPUUUTZZSOJP-QINHECLXSA-N 365.389 1.702 0 50 FDAA Cc1c(Cl)c(C(=O)N2CC[C@H](O)[C@](CC3CC3)(C(=O)O)C2)nn1C 1875248599 ZVGSRYFGIBCDJO-MEDUHNTESA-N 355.822 1.460 0 50 FDAA O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCC(O)(C(F)F)CC1 331193916 WJBXECQIHYYAKO-LLVKDONJSA-N 356.344 1.797 0 50 FDAA C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NC(C)(C)C(=O)O 237505945 WGCDRGCGETXWPL-ZCFIWIBFSA-N 363.233 1.608 0 50 FDAA O=C(NCC1(c2cccc(Br)c2)CCC1)[C@H]1C[C@@H](O)CN1 238007356 FIXUJGQSXVUAPM-ZIAGYGMSSA-N 353.260 1.710 0 50 FDAA COc1cccc([C@H]2CN(CCc3cnn(C)c3)C[C@@H]2C(=O)O)c1OC 248158924 WOTJYBDDEVNCHB-CVEARBPZSA-N 359.426 1.780 0 50 FDAA Cn1cc(-c2noc([C@@H]3CC(=O)N(c4cn[nH]c4)C3)n2)c(C(F)(F)F)n1 350534649 PETWGAMVRUNYGL-SSDOTTSWSA-N 367.291 1.733 0 50 FDAA C[C@H]1OCCN(S(=O)(=O)c2cccc3c2OC(C)(C)C3)[C@@H]1C(=O)O 376145947 CDVOFTVKXRASQC-MFKMUULPSA-N 355.412 1.263 0 50 FDAA Cc1cc(I)cc(C(=O)N2CCC[C@H]2C(N)=O)c1C 162646550 PGGPJDBJCGMELL-LBPRGKRZSA-N 372.206 1.998 0 50 FDAA CCOCC(C)(C)NCC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 815137803 MZWCBRKSSLWOGC-MRXNPFEDSA-N 367.534 1.888 0 50 FDAA CCCCCc1ccc(S(=O)(=O)N2CC[C@H](O)[C@@H](C(=O)O)C2)cc1 1704339766 XSMVRKMCKUDZPM-HOTGVXAUSA-N 355.456 1.875 0 50 FDAA CCOC(=O)[C@@]1(F)CN(C(=O)Cn2c(C)cc(O)cc2=O)CC12CCC2 855245691 OXZYTJFLBCSELP-SFHVURJKSA-N 366.389 1.146 0 50 FDAA COc1cccc2[nH]ccc(=N[C@H]3CCN(c4cc(=O)n(C)c(O)n4)C3)c12 2325806048 OUUPKDWQOYVHFS-LBPRGKRZSA-N 367.409 1.155 0 50 FDAA CCOC(=O)C1=C(N)OC(C)=C(C(=O)OC)[C@]12C(=O)Nc1ccccc12 705805 SXNGDSMHQSBTND-SFHVURJKSA-N 358.350 1.087 0 50 FDAA COC(=O)c1ccc(C(=O)OC)c(NC2=NS(=O)(=O)c3ccccc32)c1 812677 ZCWLZRLKIYFTRU-UHFFFAOYSA-N 374.374 1.821 0 50 FDAA Cc1nc(-c2cccnc2)ncc1C(=O)NC[C@H](O)c1cccc(O)n1 2356158766 YMUXGANRRPORQD-HNNXBMFYSA-N 351.366 1.411 0 50 FDAA COC(=O)c1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc(C(=O)OC)c1 4197483 ZHGKNVQOCHEZKF-KBPBESRZSA-N 361.350 1.865 0 50 FDAA COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)c(O)c1Br 4821009 UKEKDRBIUSCTPS-NSHDSACASA-N 371.187 1.964 0 50 FDAA O=C(NC[C@@H](c1ccco1)N1CCCCC1)N[C@@H]1CCc2ncnn2C1 112739981 FQRZYUOVZICULU-CABCVRRESA-N 358.446 1.712 0 50 FDAA Cc1ncc(C(=O)N2C[C@@H](N)C[C@H]2C(=O)NC(C)C)c(-c2ccccc2)n1 67834215 DDKBXBBSEQLKBN-RDJZCZTQSA-N 367.453 1.518 0 50 FDAA COc1ccnc(N2CCN(Cc3cnc(-c4ccco4)nc3)CC2)n1 65394629 QVLNXGIBAYBGDC-UHFFFAOYSA-N 352.398 1.857 0 50 FDAA COc1ccc(-c2[nH]ncc2CNC(=O)[C@H]2NCCc3[nH]cnc32)cc1 72454815 BVKVQERYOZVCDK-KRWDZBQOSA-N 352.398 1.312 0 50 FDAA CCn1c([C@H]2CCCN(C(=O)CCc3ccc4c(c3)OCO4)C2)n[nH]c1=O 67965180 HZPMXRIQRVPTHV-AWEZNQCLSA-N 372.425 1.659 0 50 FDAA COc1ccc(Cn2cc(C(=O)N[C@@H]3CCc4[nH]ncc4C3)cn2)cc1 172220708 DXIJNEODHVKRKU-MRXNPFEDSA-N 351.410 1.950 0 50 FDAA CN1CC[C@H](c2nc(-c3cccnc3OCC(F)F)no2)S1(=O)=O 351353442 BURLLGQALDDECA-SECBINFHSA-N 360.342 1.482 0 50 FDAA CN1[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCC(=O)O)C[C@@]1(C)C(=O)O 67513821 WJRJHJBVFORNOH-JDFRZJQESA-N 368.817 1.767 0 50 FDAA CCNc1ncc(C(=O)N2CCN(Cc3ccc(F)cc3)C(=O)C2)cn1 67675224 PLHHQAUQNGHFBR-UHFFFAOYSA-N 357.389 1.532 0 50 FDAA COc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1 72115395 FAIYDXYPWYMZFB-ZDUSSCGKSA-N 369.487 1.391 0 50 FDAA COc1ccccc1-n1cc(C(=O)N2CCC[C@](O)(CN(C)C)CC2)cn1 72125586 YSGHDTFHLDFOHN-HXUWFJFHSA-N 372.469 1.800 0 50 FDAA CC[C@@H](C(=O)N1CCN(C(=O)c2ccccc2OC)CC1)n1cccn1 77535667 AJIUJUAGGKYZQT-INIZCTEOSA-N 356.426 1.827 0 50 FDAA Cn1ccnc1[C@](O)(CCNC(=O)NC1CCC(O)CC1)C(F)(F)F 125210522 HOPRQSULSJDZCT-QIMFLAQGSA-N 364.368 1.163 0 50 FDAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN[C@H](C(=O)O)C1 71751442 CXLNVSQJYMRSQY-NSHDSACASA-N 362.835 1.094 0 50 FDAA CCc1[nH]c2c(CNC(=O)Cn3ccc(=O)[nH]c3=O)cc(F)cc2c1C 71753630 GCMBHNYDCUJLLQ-UHFFFAOYSA-N 358.373 1.344 0 50 FDAA O=S1(=O)CCC(O)(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)CC1 328712288 BMYKCXQCBQTQRZ-LBPRGKRZSA-N 355.422 1.981 0 50 FDAA CN1CCC[C@H]1CNC(=O)[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 363118602 BCEYDYMOMOELAI-RDJZCZTQSA-N 369.469 1.626 0 50 FDAA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1C[C@H](C)S(=O)(=O)[C@@H](C)C1 329556094 BQBHSUITPYICRQ-IGQOVBAYSA-N 355.460 1.015 0 50 FDAA N=C(O)N[C@H](CC(=O)N1CC[C@H](CN2CCOCC2)C1)c1cccs1 329554998 BIRDCRXVEYFLLX-ZIAGYGMSSA-N 366.487 1.442 0 50 FDAA Cc1ccn(C)c(=O)c1NC(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 155130937 MWGCWHFZUDOIJO-OAHLLOKOSA-N 354.410 1.789 0 50 FDAA Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1Cc2ccccc2C2(CC2)C1 377072937 LWIZNJDIOOLWCM-FQEVSTJZSA-N 352.434 1.982 0 50 FDAA Cn1ncc(I)c1C(=O)N[C@H]1CCCc2c[nH]nc21 331519460 KDOMZZLJUMOQPK-VIFPVBQESA-N 371.182 1.555 0 50 FDAA CCc1nccc(CN2CCC[C@@](O)(CNC(=O)N3CCCC3)CC2)n1 72152682 IJPULXRVYMFLFE-IBGZPJMESA-N 361.490 1.561 0 50 FDAA O=C1NC[C@@H]2[C@H]1CCCN2C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 377217413 YTGDBMDZRHJNBZ-GDBMZVCRSA-N 372.400 1.041 0 50 FDAA Cc1nn(C)c2ncc(C(=O)O)c(N3CCn4nc([C@@H](C)O)cc4C3)c12 217020839 ITOCUCJWROZXDS-SNVBAGLBSA-N 356.386 1.245 0 50 FDAA O=C(c1cnc(SCc2ccccc2)nc1O)N1CCOC[C@H](O)C1 77419202 XHYIYWCDZABNAN-CYBMUJFWSA-N 361.423 1.308 0 50 FDAA Cn1cc(-c2ccc(C(=O)N3CCCN(c4ncccn4)CC3)cn2)cn1 71774939 YQZOTPHDEKRGEP-UHFFFAOYSA-N 363.425 1.625 0 50 FDAA CC(=O)Nc1c[nH]nc1[C@H]1CCCN(c2cc(=O)n3ccccc3n2)C1 372166013 BYCHPHKXMGLPKH-ZDUSSCGKSA-N 352.398 1.760 0 50 FDAA NC(=O)COc1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCC2CCC2)cc1 219284539 OTPFLOSEFRBOHG-SJORKVTESA-N 362.426 1.255 0 50 FDAA COCCn1cc2c(n1)[C@H](NC(=O)c1ccc(C(=O)O)c(C)n1)CCC2 448997478 ULLXGSLOXSYPDV-CQSZACIVSA-N 358.398 1.739 0 50 FDAA O=C(CNC[C@@H]1CCCO1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 237993066 VDRLRFVFRSFFDV-PKOBYXMFSA-N 350.434 1.866 0 50 FDAA CCN1Cc2ccccc2C[C@@H]1C(=O)N1CCN(C(=O)c2ccc[nH]2)CC1 219093402 DXADPHVZXIAJPQ-LJQANCHMSA-N 366.465 1.746 0 50 FDAA O=C(CCn1cnnc1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 72153042 DJTROBRAIQSINH-DFQSSKMNSA-N 351.454 1.757 0 50 FDAA C[C@@H]1Cc2cc(C(=O)N3CCC(n4cc(CCO)nn4)CC3)ccc2O1 48371770 QRFDGLXHNYXWHV-CYBMUJFWSA-N 356.426 1.614 0 50 FDAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(N2CCOCC2)nc1 240454664 FXYLEFGETOMTRP-OIISXLGYSA-N 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Cc1nn2c(NC(=O)CN3CCc4ccccc4C3)csc2nc1=O 1529191922 JOFKAEQRBHZDMC-UHFFFAOYSA-N 355.423 1.456 0 50 FDAA Cn1nccc1CCC(=O)N1CCCN(c2cccc(C(=O)O)n2)CC1 1772814157 MAIIQDORGYTVEH-UHFFFAOYSA-N 357.414 1.185 0 50 FDAA Cc1cnc(CNC[C@]2(O)CCCN(Cc3ccccc3F)C2=O)cn1 12387494 PXQNDEBAPWFCKW-LJQANCHMSA-N 358.417 1.567 0 50 FDAA CC[C@H](C(=O)N1CCN(CC)CC1)N(c1ccccc1)S(C)(=O)=O 13711526 FLZIKVLJQPPQLH-MRXNPFEDSA-N 353.488 1.395 0 50 FDAA CCCCN(C)Cc1ccc(C(=O)NCCn2nc(C)cc2C)c(=O)[nH]1 14979919 MFBYZXRLSAXKIU-UHFFFAOYSA-N 359.474 1.850 0 50 FDAA COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc2c(c1)OCO2 18148548 BXSGWCJDOVKDPG-CQSZACIVSA-N 350.396 1.398 0 50 FDAA C[C@@H]1CCC(=O)N1c1ccc(N2CCC(N[C@H]3CCN(C)C3=O)CC2)cc1 19111984 ZMJVSDAEFPOOLE-BEFAXECRSA-N 370.497 1.991 0 50 FDAA Cc1cnn(C)c1NC(=O)Cn1ncc(N(C)Cc2ccccc2)cc1=O 19939159 IHNQROIUXSKZAJ-UHFFFAOYSA-N 366.425 1.560 0 50 FDAA CN1CCC(O)(C(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)CC1 1857698384 OHWNNPCOSOAJJQ-UHFFFAOYSA-N 354.454 1.461 0 50 FDAA Cc1ccccc1C[C@H](C)N(C)C(=O)C1CCN(S(N)(=O)=O)CC1 331325523 OELMHKNXNWBKIH-AWEZNQCLSA-N 353.488 1.300 0 50 FDAA COc1ccccc1CCC(=O)N1C[C@@H]2CC[C@H]1CN(S(C)(=O)=O)C2 247550980 WAGXOSUYAQVNBZ-ZBFHGGJFSA-N 366.483 1.510 0 50 FDAA Cn1cc(CN2CC[C@H](N3CCN(c4ccccc4F)CC3)[C@@H](O)C2)cn1 248109485 GTGKMFLJOZTWQH-PMACEKPBSA-N 373.476 1.317 0 50 FDAA C=CC(=O)N1CCN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)[C@@H](C)C1 1875381574 ZSXMVYJBYYADTC-ZDUSSCGKSA-N 354.410 1.944 0 50 FDAA Cc1ccc(C[C@@H](CO)CNC(=O)CNC(=O)COc2ccccc2)cc1 252510692 ZOHMRKVGPAKATF-GOSISDBHSA-N 370.449 1.457 0 50 FDAA COC(=O)c1ccc(C(=O)O[C@H](C)CS(=O)(=O)N2CCCC2)cc1 821992606 HBWYFDAHYYYILU-GFCCVEGCSA-N 355.412 1.444 0 50 FDAA Cc1nc2ccccc2n1CC(=O)N1CC[C@@]2(CO)CCCN(C)[C@@H]2C1 1704297414 QRVWZTXXCBFBGC-UYAOXDASSA-N 356.470 1.650 0 50 FDAA CCn1c(-c2ccc(=O)n(C)c2)nnc1N1CCC(O[C@@H]2CCOC2)CC1 908900541 WUZOVXUBOOJKTF-MRXNPFEDSA-N 373.457 1.438 0 50 FDAA O=C(NS(=O)(=O)Cc1cccs1)c1coc(C2CCOCC2)n1 2325773661 KEZMQEHHMPBQOM-UHFFFAOYSA-N 356.425 1.890 0 50 FDAA C[C@@H](N)c1ccc(CNC(=O)C(=O)Nc2cnn(-c3ccccn3)c2)cc1 2325856768 BDCQFZBYLOYHPQ-CYBMUJFWSA-N 364.409 1.542 0 50 FDAA N[C@@H](CCCNC(=O)NCc1ccc(Br)c(F)c1)C(=O)O 2325873650 OJCWYBWMZKNFGS-NSHDSACASA-N 362.199 1.580 0 50 FDAA O=C1CC[C@H](N2Cc3ccc(NC(=O)C4CCCCC4)cc3C2=O)C(=O)N1 2325888047 UQQQOSBQMSDYAZ-INIZCTEOSA-N 369.421 1.966 0 50 FDAA O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1c(F)cccc1F 810429 LKEMRCFJVVZJAM-UHFFFAOYSA-N 352.318 1.748 0 50 FDAA Cc1c(Br)c(C(F)(F)F)nn1CC(=O)N1CCOCC1 825512 MDTBXYLWTAXIOB-UHFFFAOYSA-N 356.142 1.832 0 50 FDAA COc1cccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)c2ccccc2)c1 2352315 FOQAFDRORFHXSU-KRWDZBQOSA-N 367.405 1.665 0 50 FDAA O=C(c1ccc(N2CCOCC2)nc1)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356145103 ATPVLEDJVBWJAF-HXUWFJFHSA-N 367.453 1.762 0 50 FDAA CS(=O)(=O)N1CCCC[C@H]1CCNC(=O)c1cccc2c1COC2 2356148008 CHGZLPWYTWSBOD-AWEZNQCLSA-N 352.456 1.651 0 50 FDAA CS(=O)(=O)N1CCCC[C@@H]1CCNC(=O)c1cccc2c1COC2 2356148009 CHGZLPWYTWSBOD-CQSZACIVSA-N 352.456 1.651 0 50 FDAA CCn1nccc1C(=O)N1CCC[C@@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356169162 VLLGVAKDXMGMIO-JXXFODFXSA-N 374.485 1.804 0 50 FDAA COCCN1C[C@H](C(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)CC1=O 246814865 BSGVPDQVQIADFH-FGTMMUONSA-N 360.454 1.596 0 50 FDAA COc1cc(N2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)ncn1 106996255 AYJHGQLREAOLRQ-QGZVFWFLSA-N 363.506 1.231 0 50 FDAA CN(Cc1nc2ccccc2[nH]1)C[C@H]1[C@@H]2CN(C(=O)N3CCOCC3)C[C@H]12 102176905 XDNWLVRWWLRYHP-PHZGNYQRSA-N 369.469 1.625 0 50 FDAA CCNc1cc(N2CCN(S(=O)(=O)c3cccs3)CC2)nc(C)n1 65363498 LLCPZCGTBSZKJK-UHFFFAOYSA-N 367.500 1.789 0 50 FDAA O=C1CCCN1C[C@@H](c1cccc(C(F)(F)F)c1)N1C(=O)CNC1=O 348837246 BPDTVDVWHABOPE-LBPRGKRZSA-N 355.316 1.921 0 50 FDAA O=c1oc2ccccc2n1CCN1CCN(c2ccc(Cl)nn2)CC1 65407859 ZZLHEENCJIKENO-UHFFFAOYSA-N 359.817 1.860 0 50 FDAA COCCOCC(=O)N1CCn2nc(-c3nc4ccccc4n3C)cc2C1 65383557 UAULTKBDQWTVRK-UHFFFAOYSA-N 369.425 1.442 0 50 FDAA C[C@@H](Cn1nc(C2CCNCC2)n(-c2ccccc2)c1=O)N1CCCC1 67755067 KRCGSHNFPCVATK-INIZCTEOSA-N 355.486 1.985 0 50 FDAA NC(=O)c1ccc(OCC(F)F)c(NC(=O)[C@H]2CCCN(C(N)=O)C2)c1 428508079 HJQSEOLBBDEFIH-JTQLQIEISA-N 370.356 1.159 0 50 FDAA CC(C)(C)C[C@H](CO)NS(=O)(=O)c1ccc(Cl)c(-c2nnn[nH]2)c1 282070792 YIBXAJDGBCXDOW-SECBINFHSA-N 373.866 1.596 0 50 FDAA O=C1CCCN1C[C@@H](O)CS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 1396560 KXFKDJFOHDUNAM-LLVKDONJSA-N 366.266 1.892 0 50 FDAA NC(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1576230 YUGBZNJSGOBFOV-MRXNPFEDSA-N 354.362 1.854 0 50 FDAA biogenic Cc1cc(C)n([C@@H](C)CC(=O)N2CCO[C@H](c3ccnc(N(C)C)n3)C2)n1 328765391 DYMTUBKOPNJYMF-RDJZCZTQSA-N 372.473 1.907 0 50 FDAA CCOCCC(=O)N1CCC(Oc2ccccc2OC)(C(=O)O)CC1 72421126 GPBRPQYCSZUXQN-UHFFFAOYSA-N 351.399 1.946 0 50 FDAA O=C(N[C@@H]1CCNC1)c1cccc(S(=O)(=O)N2CCC(F)(F)CC2)c1 215512770 ISYMVWCWOPFANT-CYBMUJFWSA-N 373.425 1.198 0 50 FDAA CCOc1ccccc1CN1CCN(C(=O)c2cc(C)n[nH]2)C[C@H]1CCO 72475790 JEEXSMMREFGZKX-QGZVFWFLSA-N 372.469 1.826 0 50 FDAA CC(C)CCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2ncc[nH]2)[C@H]3C1=O 77471740 SUHTUDOKZKRSEA-YBKUAAOGSA-N 358.442 1.196 0 50 FDAA Cc1c(O)cccc1C(=O)N1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)C1 77319204 XYBQRTVYPNKIQO-RHSMWYFYSA-N 355.394 1.101 0 50 FDAA COc1ccccc1[C@H](NC(=O)[C@H]1C[C@@H](O)CN1C(C)=O)c1ccccn1 476539751 IFUARIGIFVNJKH-BJZITVGISA-N 369.421 1.278 0 50 FDAA CC(=O)NCCOc1ccc(C(=O)N2CCO[C@H](C(F)(F)F)C2)cc1 71767653 VBUZOODMCQQFTK-AWEZNQCLSA-N 360.332 1.605 0 50 FDAA CCNC(=O)CN1CCN(c2nc(C3CCCC3)nc3c2cnn3C)CC1 72164794 UKORSGZBIYEEIT-UHFFFAOYSA-N 371.489 1.279 0 50 FDAA Cn1c(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CCN)C2)cc2ccccc21 72410380 YOYRHKSUUZLFDK-DOTOQJQBSA-N 354.454 1.590 0 50 FDAA COc1cccc(C(=O)NCC(=O)NC[C@@H]2OCCc3ccccc32)c1 363129771 LMXXSRXFEIJKDP-SFHVURJKSA-N 354.406 1.855 0 50 FDAA CN1CCO[C@H](CN(CC2CC2)C(=O)N[C@H]2CCO[C@H](C3CC3)C2)C1 332992800 ADWOUUXNMZICBH-BZSNNMDCSA-N 351.491 1.696 0 50 FDAA CCCn1ccnc1CN1CCc2nnc(Cc3cccnc3)n2CC1 72135272 HXLZPQREJRBRPB-UHFFFAOYSA-N 351.458 1.929 0 50 FDAA CC1(C)C(=O)NC(=O)N1CC(=O)N1CC[C@]2(CCc3ccccc3O2)C1 366459426 XYKAZAXXVGBWEK-LJQANCHMSA-N 357.410 1.313 0 50 FDAA O=C(C1CCCC1)N1CCN(Cc2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 72478770 BJRFRBAYAUYSSD-SJORKVTESA-N 363.483 1.082 0 50 FDAA O=C(NC1CCN(CCc2ccccc2)CC1)N1CCC2(C1)OCCO2 173741030 ODGLVRLXXZAEHO-UHFFFAOYSA-N 359.470 1.852 0 50 FDAA NC[C@H]1CCCN1C(=O)CN1C(=O)COc2cc(Br)ccc21 238035301 PEAMWNXMTOJDOW-LLVKDONJSA-N 368.231 1.124 0 50 FDAA CCOCc1nc2c(c(NC[C@H](C)Oc3cccnc3)n1)CCNCC2 72430066 WTXSRRVTZLKOCJ-AWEZNQCLSA-N 357.458 1.976 0 50 FDAA COc1cc(CN(C)C[C@@H]2CC(=O)N(C)C2)cc(Cl)c1OCC(=O)O 215438201 IDVSHUXUUVFJQU-LBPRGKRZSA-N 370.833 1.722 0 50 FDAA Cc1nc2c(c(N3CCCC3)n1)CCN(C(=O)c1ccc(C)[nH]c1=O)C2 72129802 HOAKHJSUVDTJCH-UHFFFAOYSA-N 353.426 1.580 0 50 FDAA Cc1nc(C)c(C(=O)N2CCN3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)o1 376349698 GXPWDOXDHQUOKF-AWEZNQCLSA-N 354.366 1.585 0 50 FDAA CCc1cc(N2CCC(N3CCNC(=O)CC3)CC2)n2nc(C)c(C)c2n1 72426131 QIYSIFCFMVETOX-UHFFFAOYSA-N 370.501 1.699 0 50 FDAA NCCCNC(=O)[C@@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 71759715 RTYSOTAZUVGGMR-HXUWFJFHSA-N 372.557 1.871 0 50 FDAA Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1cn2cccnc2n1 222277663 QCJSXXXWEZXGGM-GDBMZVCRSA-N 371.397 1.438 0 50 FDAA CCn1ccnc1CN(C)C(=O)c1ccc(NS(=O)(=O)CC)cc1 220727386 GFMGDDBTVVSUPR-UHFFFAOYSA-N 350.444 1.937 0 50 FDAA COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1 44390239 QDACDXFWUOCJKY-CHWSQXEVSA-N 370.471 1.553 0 50 FDAA O=C1CCN(Cc2cn(C3CCN(C[C@H]4CC=CCC4)CC3)nn2)CCN1 20203808 DWVFKIWVTSJADQ-KRWDZBQOSA-N 372.517 1.593 0 50 FDAA COc1ccc(-c2cc(C(=O)N3CC[C@@]4(CN(C)C(=O)CO4)C3)n[nH]2)cc1 426701645 QMGGGSOCZLCIQZ-LJQANCHMSA-N 370.409 1.159 0 50 FDAA CCc1ccc(-n2cnnc2)cc1NC(=O)NCCN1CCCOC1=O 426486440 RAZKKUWTPDNQQR-UHFFFAOYSA-N 358.402 1.794 0 50 FDAA Cc1cc(C)n(-c2ccc(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N(C)C)cc2)n1 220022397 YJSDKYDCKZHIBF-FCGDIQPGSA-N 354.454 1.936 0 50 FDAA Nc1nc(N2CCN(C(=O)c3cc(Cl)ccc3F)CC2)cc(=O)[nH]1 223847611 QPHAGIQYNJWKCR-UHFFFAOYSA-N 351.769 1.107 0 50 FDAA CCn1nccc1NC(=O)c1cn(C)nc1C(=O)Nc1ccnn1CC 20617347 SNLONHYQUANAEI-UHFFFAOYSA-N 356.390 1.358 0 50 FDAA C[C@@H](CN1CCCn2nc(CNS(C)(=O)=O)cc2C1)c1ccccc1 82091299 YJOVAYNPEFOWBE-HNNXBMFYSA-N 362.499 1.942 0 50 FDAA O=C1CC[C@]2(CCCN(C(=O)c3ccccn3)C2)CN1CCc1c[nH]cn1 82115866 XISCSHHWHJGVPJ-HXUWFJFHSA-N 367.453 1.892 0 50 FDAA CN1CCN2CCN(C(=O)Nc3cccc(OC4CCCC4)c3)C[C@H]2C1=O 95511431 NDNZHEYMVJSZMS-SFHVURJKSA-N 372.469 1.998 0 50 FDAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3cc(=O)nc4sccn34)[C@H]2C1 426421803 JAVBTZQLFAHYQU-BTJLNZGRSA-N 363.439 1.555 0 50 FDAA Cc1cccn2c(CC(=O)N3C[C@@H](NC(=O)N(C)C)[C@H](C(C)C)C3)cnc12 92076919 SIOGKAAZMCAUMY-DLBZAZTESA-N 371.485 1.939 0 50 FDAA CCCN1C[C@H](NC(=O)c2ccc(-c3nc(=NC)c(F)c[nH]3)cc2)CC1=O 426503476 HZYWCBLGENTAST-CQSZACIVSA-N 371.416 1.487 0 50 FDAA COc1ccccc1CCC(=O)N1CCC2(CCC(=O)N(CCO)C2)CC1 91965781 ILWZUNGHESWGPM-UHFFFAOYSA-N 374.481 1.851 0 50 FDAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)[C@@H](N)Cc2c[nH]cn2)C3)cc1 96149133 ANSTXHRNLRAJGU-HNNXBMFYSA-N 366.425 1.263 0 50 FDAA Cc1cc2nc(C(=O)N3CCNC(=O)[C@@H]3Cc3ccccc3)cc(C)n2n1 97475500 FOUQUXAKVCDEMQ-KRWDZBQOSA-N 363.421 1.529 0 50 FDAA Cc1cccc(CC(=O)N2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)c1 92081457 PDSZXANPSNVUJC-DLBZAZTESA-N 365.499 1.267 0 50 FDAA CC(=O)N1CCC(N2CCN(Cc3ccc(C)cc3)[C@@H](CCO)C2)CC1 22913436 BKRZGAFEKPZXKH-NRFANRHFSA-N 359.514 1.875 0 50 FDAA CCCNC(=O)c1ccc(S(=O)(=O)NCc2cnn(C)c2C)cc1 91942987 YXYRNGFDXXITND-UHFFFAOYSA-N 350.444 1.347 0 50 FDAA CCN1CCc2[nH]cnc2C12CCN(C(=O)[C@H](O)c1ccc(F)cc1)CC2 92096912 GTIJTDHKTFEOLC-QGZVFWFLSA-N 372.444 1.978 0 50 FDAA O=C(c1cnc(Nc2ccccc2)nc1)N1Cc2cnn(CCO)c2C1 92038796 OLJFOQAMOJFQME-UHFFFAOYSA-N 350.382 1.565 0 50 FDAA Cc1ncc2c(c1CNC(=O)[C@@H]1CC(=O)Nc3ccc(F)cc31)CCNC2 91893534 NFZPMOWDNPKSAG-MRXNPFEDSA-N 368.412 1.917 0 50 FDAA CN(CCCOc1ccccc1Cl)C(=O)C[C@@H]1C(=O)N(C)C(=O)N1C 91320593 GUSKONAFIRILAP-CYBMUJFWSA-N 367.833 1.850 0 50 FDAA CN1CCN(C(=O)c2cccc(NC(=O)NCC3CCOCC3)c2)CC1 96153100 MTTDTGYHGAQKBC-UHFFFAOYSA-N 360.458 1.622 0 50 FDAA COc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2cccnc2)C3)ccn1 91594379 BSBSTJKWSOKMJI-WMLDXEAASA-N 366.421 1.862 0 50 FDAA O[C@H]1CCN(c2ccnc(N3CCCN(Cc4cccc(F)c4)CC3)n2)C1 95508010 IEGMQQKNJMTTQI-SFHVURJKSA-N 371.460 1.899 0 50 FDAA N[C@H]1CC[C@@H](n2cc(C(=O)NCc3cc(-c4ccccn4)no3)nn2)CC1 243900879 AWUDYGYPLDBHFM-BETUJISGSA-N 367.413 1.701 0 50 FDAA Nc1nnc(CCNC(=O)CCSc2ccc3c(c2)OCCO3)s1 252502629 URYPBDZLENELCU-UHFFFAOYSA-N 366.468 1.733 0 50 FDAA COCCN1C(=O)N[C@@H]2CN(c3nc4ccccc4cc3CO)CC[C@@H]21 299741239 FAYNEHXBFBRFJB-SJORKVTESA-N 356.426 1.346 0 50 FDAA CCN(Cc1cc(=O)n2cccc(O)c2n1)C[C@@H](O)c1cccc(O)c1 252506651 WCBGDKYLJQEOQS-QGZVFWFLSA-N 355.394 1.661 0 50 FDAA CC[C@H](CNC(=O)N(C)Cc1cc(-c2cccnc2)no1)N1CCOCC1 534578293 GAKWBPREEVFFGH-MRXNPFEDSA-N 373.457 1.989 0 50 FDAA O=C(O)[C@]1(N2CCN(c3nc4ccccc4cc3CO)CC2)CCOC1 1328720827 FVHDNCQXKWQMDZ-IBGZPJMESA-N 357.410 1.093 0 50 FDAA CO[C@@]12CC[C@H](Oc3ccccn3)C[C@@H]1N(C(=O)Cn1ccnn1)CC2 299785020 QDPBJYMOAQLQGI-RLFYNMQTSA-N 357.414 1.291 0 50 FDAA Cc1ccc(C(=O)N2CCc3[nH]nc(C(=O)O)c3C2)cc1N1CCNC1=O 299772554 BJODBWOZIQOZAF-UHFFFAOYSA-N 369.381 1.144 0 50 FDAA CC(=O)N1CCO[C@H](CNC(=O)Nc2snnc2-c2ccccc2)C1 299792382 DTMPSZAMYHNNEB-CYBMUJFWSA-N 361.427 1.574 0 50 FDAA Cc1oc2c(c1C(=O)N1CC[C@@H]3OCc4cnnn4[C@H]3C1)C(=O)CCC2 299777063 IHMRUGONDMRDAB-JSGCOSHPSA-N 356.382 1.685 0 50 FDAA NC(=O)C1(NC(=O)NCc2noc(-c3ccc4c(c3)OCO4)n2)CCCC1 584896414 JHKPGECDXDOEIA-UHFFFAOYSA-N 373.369 1.063 0 50 FDAA CO[C@@H]1C[C@H](CNC(=O)c2cc(C(C)C)n(C)n2)N(c2ccncn2)C1 952888035 YHWBKWBFPNIIDQ-ZIAGYGMSSA-N 358.446 1.357 0 50 FDAA CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)Cc1cnnn1C)CC2 952894449 QYZCGUKTHXRHFM-AWEZNQCLSA-N 360.487 1.327 0 50 FDAA COc1cncc(C(=O)N[C@H]2CCOC[C@H]2Nc2ccnc(C)n2)c1C 952888317 PNMYMDOXIZMOMB-LSDHHAIUSA-N 357.414 1.496 0 50 FDAA C[C@@H]1CN([C@H]2CCCN(Cc3nc(C4CCC4)no3)C2)S(=O)(=O)C1 1875281837 ZTHFNNXVODLMJZ-OCCSQVGLSA-N 354.476 1.583 0 50 FDAA O=C(C[C@@H]1CNCCS1(=O)=O)N1CCC[C@@H](c2cccc(O)c2F)C1 1875292784 SPDGGHCMOHBTDA-CHWSQXEVSA-N 370.446 1.014 0 50 FDAA Nc1cc(C(=O)Nc2c[nH]nc2[C@@H]2CCNC2)cc(Br)n1 1875356175 IHZHIFYAYIROGP-SSDOTTSWSA-N 351.208 1.479 0 50 FDAA COCCn1nccc1[C@@]12CC[C@@H](C1)[C@@H]2C(=O)NCCc1cncc(C)n1 1875396127 WHXQWQBBBJCTHW-QKYXUNIQSA-N 369.469 1.655 0 50 FDAA Cn1nc(C(=O)NC2CN(C(=O)C3(C)CCOCC3)C2)c2ccccc21 1875303089 VMMQWHFJGDTBAT-UHFFFAOYSA-N 356.426 1.331 0 50 FDAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCOC[C@@]2(CO)c2ccccc2)C1 1875384181 DFTABMRIDNECGV-UZLBHIALSA-N 358.438 1.158 0 50 FDAA O=C(Cn1ncnn1)N1C[C@H]2[C@@H]3CC[C@@H](CN3Cc3ccsc3)[C@H]2C1 1875407071 SFKZFKHTIFVLSS-JJXSEGSLSA-N 358.471 1.104 0 50 FDAA CCO[C@@H]1C[C@H]1C(=O)N1CC[C@H](C)N(c2ccnc3nc(C)nn23)CC1 1875407357 XTCCLLCGRSTCSB-NWANDNLSSA-N 358.446 1.285 0 50 FDAA O=C(c1nnc(O)c2ccccc12)N1CCCN(c2ncccn2)CC1 952865065 OKAIQZHIUQKLNO-UHFFFAOYSA-N 350.382 1.478 0 50 FDAA COc1cc(-n2cnnn2)ccc1NC(=O)CN(C)Cc1ccccn1 952860362 NJGVUPZGWMREJA-UHFFFAOYSA-N 353.386 1.136 0 50 FDAA C=CC(=O)Nc1cccc(C(=O)N(C)C2CCN(S(C)(=O)=O)CC2)c1 866580685 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NC(=O)[C@H]1CN(C(=O)NCC2(c3ccc(Cl)cc3)CCC2)CCO1 171206567 QKPZTMVBGRXUER-CQSZACIVSA-N 351.834 1.657 0 50 FDAA COc1ccc2[nH]c(CNCc3cnc(N(C)CC(=O)O)nc3)cc2c1 1506397321 ROWFACAXZULJIG-UHFFFAOYSA-N 355.398 1.777 0 50 FDAA CCc1nc(CN(C)C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2C)no1 1529110522 OJUWOJSLDWBVQW-MSOLQXFVSA-N 372.425 1.497 0 50 FDAA O=C1C[C@@H](CNc2cc(N3CCC(O)CC3)ncn2)CN1C1CCCC1 1529168283 ZNXVDUUZJPHNJD-AWEZNQCLSA-N 359.474 1.641 0 50 FDAA Cc1cc(=O)n(CCN2CCC[C@]3(CCc4cnc(C)nc43)C2)c(O)n1 1704359570 SOAZKRIVUNQWOT-IBGZPJMESA-N 355.442 1.336 0 50 FDAA CN1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC12CCOCC2 1800412307 XRUBHYPTEVIUBK-UHFFFAOYSA-N 352.456 1.027 0 50 FDAA COc1ccc(S(=O)(=O)N2CC[C@@]3(C(=O)O)CCCN(C)[C@@H]3C2)cc1 1704338898 JXNZFQUFGNBQQX-WBVHZDCISA-N 368.455 1.255 0 50 FDAA O=C(NCc1nc(-c2ccccc2)n[nH]1)c1cc(N2CCOCC2)no1 1772816426 LYIKISFNNNFUQV-UHFFFAOYSA-N 354.370 1.226 0 50 FDAA Cc1ccc(C[C@]2(CCC(=O)N[C@H](C(N)=O)C(C)C)CCC(=O)N2)cc1 11975045 RRROHUCFMSUXOK-ICSRJNTNSA-N 359.470 1.593 0 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COc1cccc(OC)c1C(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 111621373 NBGNLJQSSLGLAT-LBPRGKRZSA-N 360.414 1.914 0 50 FDAA Cc1noc([C@@H]2CC[C@H](CNS(=O)(=O)C3Cc4ccccc4C3)O2)n1 328611078 KHCANVWOKLNYCM-ZBFHGGJFSA-N 363.439 1.685 0 50 FDAA O=C(O)[C@@H]1CCCN1CC(=O)N1CCN(c2cccc(Cl)c2)CC1 262692606 ZSSMSCRPIYWRPM-HNNXBMFYSA-N 351.834 1.538 0 50 FDAA O=C(NC1CC1)[C@H]1CCCN1C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 266420080 FLLXBWOSLIXVRJ-RTBURBONSA-N 371.481 1.547 0 50 FDAA CCOC(=O)c1cccc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 100191289 CVAPZLGCEVKYLN-GASCZTMLSA-N 356.378 1.753 0 50 FDAA NC(=O)C(F)(F)C1(O)CN(c2ccnc(CSc3ccccc3)n2)C1 2325780615 BBSHVHNPSOUZGQ-UHFFFAOYSA-N 366.393 1.441 0 50 FDAA O=C(O)c1ccccc1C(=O)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] 1147463 MXEBKBLVDYFUIQ-LLVKDONJSA-N 360.322 1.463 0 50 FDAA N[C@@H](C(=O)N1CCc2nc(Cc3ccccc3)nn2CC1)c1ccccc1 2356164911 LSBCMPVCHSLONO-HXUWFJFHSA-N 361.449 1.954 0 50 FDAA CNC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C 4488092 JBMVNOILSRQXIW-UHFFFAOYSA-N 360.435 1.871 0 50 FDAA COc1cc(CNC[C@H]2CCCO2)cc(Br)c1OCC(N)=O 4851128 ONZOBXLVIJIMJZ-LLVKDONJSA-N 373.247 1.590 0 50 FDAA Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCOCC2)cc1 9873512 TTYARHKBCJSHEC-INIZCTEOSA-N 354.472 1.547 0 50 FDAA CCCOCCn1c(=O)n(CCc2ccccn2)c2ncc(C(=O)O)cc21 55340858 FWUGHSSBBDHPCN-UHFFFAOYSA-N 370.409 1.961 0 50 FDAA C[C@@H]1CCCCN1CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 248108857 QCRHBQZMYLRXPC-OWCLPIDISA-N 358.504 1.056 0 50 FDAA COCCN1CC[C@]2(CCC1=O)CN(Cc1c(C)noc1C)CCN2C 107417942 NTCDQNNABLGMNM-LJQANCHMSA-N 364.490 1.437 0 50 FDAA Cn1c(=O)c(C(=O)NCc2ccc3c(c2)OCO3)c(O)c2ccccc21 100562543 PKBZAFREHDKZDS-UHFFFAOYSA-N 352.346 1.903 0 50 FDAA Cn1ncc(N2CCN(C(=O)CCCC(=O)c3ccccc3)CC2)cc1=O 20785325 ADXHLLZCUKBAIY-UHFFFAOYSA-N 368.437 1.482 0 50 FDAA CC(C)C(=O)Nc1nnc(S(=O)(=O)N2CCc3ccccc3C2)s1 72437317 WBVMCKVQQABKFU-UHFFFAOYSA-N 366.468 1.880 0 50 FDAA O=C(CCCn1cnnn1)N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1 77394432 DCAIVGNXAJYACW-SFHVURJKSA-N 360.462 1.095 0 50 FDAA 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CCc1n[nH]c(SCC(=O)N2CCN(Cc3ncccc3C)CC2)n1 72411213 DXQZHUBNNUQLHI-UHFFFAOYSA-N 360.487 1.507 0 50 FDAA O=C(NCc1nncn1C1CCCCC1)c1n[nH]c(=O)c2ccccc12 218807655 NRRPLTJZYABSAK-UHFFFAOYSA-N 352.398 1.950 0 50 FDAA CCn1c(N)nc2cc(C(=O)NCc3nc4ccc(OC)cc4[nH]3)cnc21 77541512 WWXIJXSWMYWLJC-UHFFFAOYSA-N 365.397 1.848 0 50 FDAA CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3nc(C)no3)C2)cc1 332202540 QVUCYFKSSAIDLQ-CYBMUJFWSA-N 364.427 1.306 0 50 FDAA COc1ccc(C(=O)N2CCN(C(=O)[C@H](C)n3ccnc3C)CC2)cc1 77387161 RWQUSOJIEQWRBX-AWEZNQCLSA-N 356.426 1.746 0 50 FDAA COc1ccc2c(c1)C[C@H](C)N(C(=O)CCS(=O)(=O)N(C)C)[C@@H]2C 332705335 WVIHGRMAVJXYPJ-QWHCGFSZSA-N 354.472 1.811 0 50 FDAA CC1(C)C(=O)Nc2cc(C(=O)N[C@@H]3CCC(=O)N[C@H]3[C@@H]3CCCO3)ccc21 332807160 QTAOCMHIRCBPAU-UKPHBRMFSA-N 371.437 1.472 0 50 FDAA Cc1cccnc1CNC(=O)Cn1nc(C)n(CCc2ccccc2)c1=O 77504175 MGBSRHLQVZLKBR-UHFFFAOYSA-N 365.437 1.616 0 50 FDAA Cc1nc2cc(O)nn2c(C)c1CCC(=O)N[C@H]1CCc2c[nH]nc2C1 374561389 RIMUUHOZKLCGDT-ZDUSSCGKSA-N 354.414 1.381 0 50 FDAA CCCC[C@@H]1C(=O)N(C)CCN1S(=O)(=O)CCOc1ccccc1 77486568 ZFEMRJZRGXGRIG-MRXNPFEDSA-N 354.472 1.728 0 50 FDAA CN(C)Cc1nnc([C@@H]2CCCN(Cc3ccccc3C(=O)O)C2)n1C 72447656 DOJYZOCQIYONKR-OAHLLOKOSA-N 357.458 1.955 0 50 FDAA CS(=O)(=O)c1cnc(NC2Cc3ccccc3C2)nc1[C@H]1CCCNC1 72481668 IVTRMYQUWALONW-HNNXBMFYSA-N 372.494 1.926 0 50 FDAA COc1cccc(N2CCN(C(=O)COc3ccccc3O)CC2=O)c1 82134341 IXORRTNLXHWLNY-UHFFFAOYSA-N 356.378 1.655 0 50 FDAA CN(Cc1nc2ccccc2[nH]1)c1cc([C@@H]2CCOC2)nc(NCCO)n1 426513567 GGMRKTGPMDLNRF-CYBMUJFWSA-N 368.441 1.897 0 50 FDAA Cn1cc(-c2ncc(C(=O)N3CCN(C[C@H]4CCOC4)CC3)s2)cn1 178105763 YUYRBGFOBJEIGZ-CYBMUJFWSA-N 361.471 1.338 0 50 FDAA CCc1nc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)c[nH]1 222374149 IFOHDHKINWITSG-ZIAGYGMSSA-N 366.443 1.020 0 50 FDAA CCN1CCC[C@@H](CN2CCCn3nc(CNC(=O)COC)cc3C2)C1 82092809 DKUGROOLZDSFPK-MRXNPFEDSA-N 363.506 1.083 0 50 FDAA CCS(=O)(=O)CCNC(=O)[C@@H](C)Nc1ncnc2ccc(C)cc12 426580928 FXZBIPGRUITRBL-GFCCVEGCSA-N 350.444 1.290 0 50 FDAA COc1ccccc1C1CCN(C(=O)C[C@H]2C(=O)N(C)C(=O)N2C)CC1 91504223 BCDUKDILTFYJKM-HNNXBMFYSA-N 359.426 1.684 0 50 FDAA Cc1cc(F)ccc1-n1cc(C(=O)N2CCN(c3cnccn3)CC2)nn1 179309003 MSFGVQKISXQTOW-UHFFFAOYSA-N 367.388 1.467 0 50 FDAA CS(=O)(=O)NCCC(=O)N1CCC[C@@H](C(=O)c2cccc(Cl)c2)C1 426517577 LUHURFYUYAWGBG-CYBMUJFWSA-N 372.874 1.701 0 50 FDAA Cc1nc(SCCNC(=O)N2CCN(Cc3ccco3)CC2)n[nH]1 426578870 UDZXPTLKHXSXEG-UHFFFAOYSA-N 350.448 1.326 0 50 FDAA O=c1[nH]c2ccc(S(=O)(=O)NC[C@@H]3COc4ccccc4C3)cc2o1 91616406 KCJDJBYFIASLAC-LLVKDONJSA-N 360.391 1.651 0 50 FDAA COc1ccc(-c2ccc(C(=O)NCCS(=O)(=O)N(C)C)cc2)cn1 426641612 XAGUMCMKYGBNRK-UHFFFAOYSA-N 363.439 1.378 0 50 FDAA O=C([C@@H]1CCCN1C(=O)c1c[nH]nc1-c1ccccc1)N1CCOCC1 92037988 KWCCKEZDSNPZTQ-INIZCTEOSA-N 354.410 1.540 0 50 FDAA O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)O)C1CCN(C(=O)C2CC2)CC1 95503415 SBJSINJJZHBDJT-INIZCTEOSA-N 362.401 1.586 0 50 FDAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Nc1ccc(C(C)=O)cc1)C2 91254288 MZZRCWZNBQZCPK-DOTOQJQBSA-N 359.426 1.990 0 50 FDAA COc1cc(CN(C)CC2CC2)ccc1OC[C@H](O)CN1CCOCC1 95498447 BUHAXHOTKFVLKK-GOSISDBHSA-N 364.486 1.609 0 50 FDAA COC[C@@H](NC(=O)Nc1cc(-n2cnnn2)ccc1C)c1ccnn1C 96135869 BANWQJAYWIXJBT-CQSZACIVSA-N 356.390 1.213 0 50 FDAA CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1OCC(=O)O)C2 91932105 PUZMHNQVMBWBME-GDBMZVCRSA-N 361.442 1.728 0 50 FDAA O=C(c1nnc2n1CCCC2)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 91845486 ISYHQVNRAFDVQR-LJQANCHMSA-N 357.458 1.479 0 50 FDAA CNC(=O)c1ccc(CN2CC[C@]3(CCCN(CCOC)C3=O)C2)cc1 91475195 BBOGEVHGISGQGA-HXUWFJFHSA-N 359.470 1.507 0 50 FDAA CN(Cc1cc(-c2ccccc2)on1)C(=O)CN1C[C@@H]2CC[C@H](CC1=O)N2 95509421 HBDOLMZBVIYATF-CVEARBPZSA-N 368.437 1.653 0 50 FDAA O=C1CCC2(CCN(C(=O)c3cnccn3)CC2)CN1C[C@@H]1CCCO1 91551334 VYSHSEXYAJHVTR-HNNXBMFYSA-N 358.442 1.500 0 50 FDAA C[C@@H]1CN(C(=O)Cc2cn3ccsc3n2)CC[C@@]1(O)C1CCOCC1 91636314 OHXHYRHJDBOKHP-ACJLOTCBSA-N 363.483 1.964 0 50 FDAA CNC(=O)c1ccc(CNc2cc([C@H]3C[C@@H](N)C3)nc(N3CCCC3)n2)o1 244817113 SUOCPPKALXXRCY-BETUJISGSA-N 370.457 1.846 0 50 FDAA COc1cc2c(cc1CNC(=O)CSCCN1CCCC1)OCCO2 244700913 JWEJYTOEHKIKTF-UHFFFAOYSA-N 366.483 1.912 0 50 FDAA COC(=O)c1cnc(O)c([C@H](CC(N)=O)c2ccc(O)c(OC)c2)c1O 253623805 MQMJNNFSHYWABF-SECBINFHSA-N 362.338 1.001 0 50 FDAA biogenic C[C@@H]1C[C@H]1N1C[C@H](NC(=O)c2cc(C(=O)O)nn2-c2ccccc2)CC1=O 299752228 SXWHBVSLSNLHPE-LALPHHSUSA-N 368.393 1.310 0 50 FDAA CN(C(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F)[C@@H]1CCNC1 299739584 QJIOJRBKPDTDRS-LLVKDONJSA-N 357.311 1.859 0 50 FDAA CCn1ccnc1CN1CCn2nc(CNC(=O)C3CCCC3)cc2C1 299783324 ZDSWTBYTMWIWCK-UHFFFAOYSA-N 356.474 1.922 0 50 FDAA O=C(c1ccc(-n2cccn2)cc1)N1CC[C@H]2OCc3cnnn3[C@H]2C1 299800473 WBSGWGIJNSOSSL-DLBZAZTESA-N 350.382 1.450 0 50 FDAA COc1cccc(-c2cc(CNC(=O)[C@H]3CCCCn4nnnc43)no2)c1 299785630 LAAGRXYXMBHAPA-HNNXBMFYSA-N 368.397 1.921 0 50 FDAA C[C@@H](NC(=O)c1cccc(-n2cnnc2)n1)c1nncn1C1CCCC1 299792890 HHUVOQUOJKMHAE-GFCCVEGCSA-N 352.402 1.860 0 50 FDAA CNc1ncccc1C(=O)N[C@@H]1CCN(Cc2csc(C)n2)C[C@H]1O 299776333 JWDHZALSHYPXDQ-HUUCEWRRSA-N 361.471 1.253 0 50 FDAA Nc1c[nH]nc1[C@@H]1CCN(C(=O)c2cc(N3CCCC3=O)ccc2F)C1 952851642 PVOKSROTKUFHCR-LLVKDONJSA-N 357.389 1.888 0 50 FDAA Cc1ccc(C(=O)N2C[C@@H](Nc3ncccn3)[C@H](c3cn(C)cn3)C2)o1 952890095 SBJFKZJSVDIEPQ-DZGCQCFKSA-N 352.398 1.832 0 50 FDAA Cn1cc(-c2ccnc(C3CCN(C(=O)[C@@]4(F)CCOC4)CC3)n2)cn1 952894191 XEVIEQPVNRPGBB-GOSISDBHSA-N 359.405 1.712 0 50 FDAA CO[C@@H]1C[C@H](CNC(=O)c2ccc3cc[nH]c3n2)N(c2ccncn2)C1 952887061 KGDJIPZEKBOECF-ZIAGYGMSSA-N 352.398 1.377 0 50 FDAA COC[C@H](C)S(=O)(=O)N1CCC(C(=O)Nc2cccc(OC)c2)CC1 1875259156 VTMLHESCALTLPK-ZDUSSCGKSA-N 370.471 1.710 0 50 FDAA OCCn1cc(-c2nc(CCc3nc(C4CC4)no3)n(CCF)n2)cn1 1875335695 CUKCDYTYRLWKEN-UHFFFAOYSA-N 361.381 1.149 0 50 FDAA C=CC(=O)Nc1ccc(O)c(C(=O)N2CCOC[C@@H]2[C@@H]2CCCC2=O)c1 1875367730 IQOMZHXSUVLQHI-DZGCQCFKSA-N 358.394 1.727 0 50 FDAA COc1ccc(-c2noc(=N[C@@H]3C[C@@H](Cn4ccnc4)C[C@H]3O)[nH]2)cc1 1875398187 FXXXIGMWWFYBJA-DAXOMENPSA-N 355.398 1.615 0 50 FDAA Cc1nsc(N2C[C@@H](CNC(=O)[C@@H]3CCCO3)OC3(CCC3)C2)n1 1875407453 AEZNEERSLWVPQH-OLZOCXBDSA-N 352.460 1.270 0 50 FDAA O=C([C@@H]1[C@H]2COC[C@H]21)N1C[C@@]23CCC[C@@]2(C1)CN(c1ncc(F)cn1)C3 1875408117 OTWOEBZQJJAMCN-UJYOZEIHSA-N 358.417 1.327 0 50 FDAA CN(C)CCN(C[C@H]1CCCO1)S(=O)(=O)N(C)Cc1ccccc1 952985326 RVCXJPUISPOFNC-QGZVFWFLSA-N 355.504 1.406 0 50 FDAA CN(C)Cc1cc(O[C@@H]2CCN(Cc3nnnn3C(C)(C)C)C2)ccn1 886096355 CAALMTBUFOWOOI-MRXNPFEDSA-N 359.478 1.538 0 50 FDAA O=S(=O)(CC1Cc2ccccc2C1)N[C@@H]1C[C@@H](O)C12CCOCC2 888099115 SUOIDGMUSFABCW-IAGOWNOFSA-N 351.468 1.251 0 50 FDAA CN1CC[C@@H]2CN(C(=O)Cc3ccc(F)c(Cl)c3)C[C@]2(C(=O)O)C1 1565526435 QADMVRPIWPYNLR-SJKOYZFVSA-N 354.809 1.887 0 50 FDAA O=C1CC[C@@]2(CCOC2)CN1CCn1nc(-c2ccccc2)ccc1=O 91746286 DSVBIEQWJOZLOE-HXUWFJFHSA-N 353.422 1.939 0 50 FDAA C[C@@H](C(=O)N1CCC[C@H](N(C)CC(=O)O)CC1)N(C)Cc1ccccc1 275738456 PZFHABOBOAQCLQ-WMZOPIPTSA-N 361.486 1.904 0 50 FDAA C[C@@H](CN1CCOCC1)NS(=O)(=O)Cc1ccc(Cl)c(F)c1 170606679 KFLQEXSZBNLCDP-NSHDSACASA-N 350.843 1.619 0 50 FDAA Cc1cccc(NC(=O)CCNc2cncc(C(=O)N3CCOCC3)n2)c1 1506424397 JPCPVVAGORTLRV-UHFFFAOYSA-N 369.425 1.698 0 50 FDAA NCCN1C(=O)CC[C@@H]2CN(Cc3cccn3-c3nccs3)CC[C@@H]21 215322582 XDKSSSMBXINAOV-ZBFHGGJFSA-N 359.499 1.705 0 50 FDAA Cc1ncc(Cl)c(N2CCCN(S(=O)(=O)N3CCCC3)CC2)n1 1772712613 WFQMHYADBUYFIW-UHFFFAOYSA-N 359.883 1.291 0 50 FDAA O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)CNCc1n[nH]c2c1CCC2 11820131 VRCIASZBAFMZJF-FQEVSTJZSA-N 372.444 1.681 0 50 FDAA CCS(=O)(=O)c1ncc(CN(C)CCC2CCOCC2)n1CCOC 12301881 CZFZDWOWVVTTML-UHFFFAOYSA-N 373.519 1.572 0 50 FDAA COCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(C)c1 12378325 GSFQBOVSTNQOBB-UHFFFAOYSA-N 360.439 1.519 0 50 FDAA CC(C)=CC(=O)N1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1 12430375 LAAPNGLHXMLOFP-UHFFFAOYSA-N 363.502 1.514 0 50 FDAA CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2=O)CC1 18250390 AYOKQMIIBYNDPC-QGZVFWFLSA-N 374.437 1.992 0 50 FDAA CCn1c(O)nnc1[C@H]1[C@@H](C2CC2)CCN1C(=O)c1n[nH]cc1Cl 1857531654 LRNTWHKHKCQGOR-BXKDBHETSA-N 350.810 1.994 0 50 FDAA O=C(O)c1n[nH]cc1CN1CCCN(C(=O)CCc2ccncc2)CC1 1857694167 CVNQXQVPZJVCEV-UHFFFAOYSA-N 357.414 1.170 0 50 FDAA CCC(=O)NC[C@H]1[C@H]2CN(c3nc(=N)[nH]c(C)c3Cl)C[C@]23CC[C@H]1O3 1857722022 CFAUMTICVBGHFB-SHFDMQKMSA-N 365.865 1.361 0 50 FDAA COc1cccc2[nH]c(C(=O)N[C@H]3C[C@H]4CO[C@@H](CCO)CN4C3)cc12 1857724097 LXIOQOWHTKXUDB-IHRRRGAJSA-N 359.426 1.130 0 50 FDAA C[C@H]1OCC[C@]1(O)CNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2 225723512 LYJCRKODGAOIIK-YJXSEZEQSA-N 364.486 1.365 0 50 FDAA CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)O 4794565 WNPCADDTHHEWIB-AAEUAGOBSA-N 354.428 1.624 0 50 FDAA in-vitro CC(C)N(Cc1ccco1)C(=O)c1c2c(nn1C)CCS(=O)(=O)C2 906445330 INTJUFJMYPZVEO-UHFFFAOYSA-N 351.428 1.535 0 50 FDAA O=C(c1ncccc1O)N1CCC[C@@]12CCCN(Cc1ccccn1)C2=O 2100540037 AIVAKPGPBLAXPZ-HXUWFJFHSA-N 366.421 1.980 0 50 FDAA C[C@H]1CC[C@](C)(/C=C/C(=O)NCCN2CCS(=O)(=O)CC2)C1(C)C 2325752372 RQUXVKZFWPVWAA-WHFNLZNOSA-N 356.532 1.852 0 50 FDAA CN(C)c1cc(N2C[C@H](O)C[C@@H]2CN[C@@H]2CCCc3ncccc32)ncn1 2325785490 AZYYLFHDOXRQQI-IIDMSEBBSA-N 368.485 1.544 0 50 FDAA CN(C(=O)c1cc(O)nc(C2CC2)n1)c1cn(Cc2ccccc2)nn1 2325803384 CXOQVYBGYMTQAV-UHFFFAOYSA-N 350.382 1.976 0 50 FDAA CC(C)(C(=O)N1CCN([C@H]2CCOC2)C(=O)C1)c1c[nH]c2ccccc12 2325806437 UUSZYDLTWBINNV-AWEZNQCLSA-N 355.438 1.905 0 50 FDAA Cn1cc(-c2nn(C)cc2NC(=O)c2ccc3c(c2)CC[C@@H](N)C3)cn1 2325808663 RTLMFFYFDCSLPM-MRXNPFEDSA-N 350.426 1.889 0 50 FDAA Cc1occc1C(=O)N[C@@H]1CC[C@@H](C)N(C(=O)CN(C)C(=O)C(C)C)C1 2325826897 PMJQRMSCGLXQAL-UKRRQHHQSA-N 363.458 1.812 0 50 FDAA Cc1c(F)ccc2[nH]c(C(=O)NC[C@@H](C)NC(=O)c3cc(O)ncn3)cc12 2325869403 LXROQSFVNITNRL-SECBINFHSA-N 371.372 1.659 0 50 FDAA C=CC(=O)Nc1cccc(C(=O)N2CCSC[C@H]2S(C)(=O)=O)c1 866029381 ODWVMVTWDNBWCK-CQSZACIVSA-N 354.453 1.371 0 50 FDAA CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl 625455 FNNZBNQPTHIWJX-UHFFFAOYSA-N 350.831 1.857 0 50 FDAA COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)cc1 1113966 TWEGRHWRFFFMAG-AWEZNQCLSA-N 352.456 1.718 0 50 FDAA Cn1nnnc1[C@@H]1CN(C(=O)c2cc(C3CC3)nc3ccccc23)CCO1 2356155601 JOZKKVOPAHQOCV-KRWDZBQOSA-N 364.409 1.849 0 50 FDAA Cc1noc([C@H](C)N2CCN(C(=O)CCc3nc(C(C)C)no3)CC2)n1 110895231 IZOJBZUDHCAELG-LBPRGKRZSA-N 362.434 1.722 0 50 FDAA COc1ccccc1NC(=O)N1CCC[C@@H](Cn2cc(CCO)nn2)C1 23379751 IKQQGBFOBARTNG-CQSZACIVSA-N 359.430 1.766 0 50 FDAA Cc1ccn2cc(C(=O)N3CCC[C@@H](Cn4cc(CO)nn4)C3)nc2c1 20515394 NKUCGDCKPLZCTB-CQSZACIVSA-N 354.414 1.279 0 50 FDAA CC(C)Oc1ccc2cc(C(=O)N3C[C@H](N(C)C)C[C@H]3CO)c(=O)oc2c1 65459095 NGDZAZDUDDAPNB-CABCVRRESA-N 374.437 1.717 0 50 FDAA CC(C)(C)CN1CCC[C@](O)(CNCCc2n[nH]c3c2CCCC3)C1=O 67908320 KUNWYMGVJQDOIW-FQEVSTJZSA-N 362.518 1.820 0 50 FDAA CCn1ncnc1CN1CCn2nc(C(=O)Nc3ccccc3)cc2C1 65498830 VKUCIELWDMIONS-UHFFFAOYSA-N 351.414 1.763 0 50 FDAA COCCN(CC1CC1)S(=O)(=O)c1sc2c(c1C(=O)O)CCNC2 67948075 ASLMTSYMHKVINO-UHFFFAOYSA-N 374.484 1.139 0 50 FDAA Cc1ncc(CN2CCC([C@@]3(c4cccnc4)NC(=O)NC3=O)CC2)[nH]1 67867015 GVQXSCMAKOIWJO-SFHVURJKSA-N 354.414 1.060 0 50 FDAA CCn1nc(C(=O)O)c2c1CC[C@H](N1CCN(Cc3cccnc3)CC1)C2 67909093 JISULNYZJHCBNQ-INIZCTEOSA-N 369.469 1.671 0 50 FDAA CCN(Cc1cc2cc(OC)ccc2[nH]c1=O)[C@@H]1CCS(=O)(=O)C1 67847253 VZNVEPMHGRDNCO-CQSZACIVSA-N 350.440 1.546 0 50 FDAA CN(Cc1cnn(C)c1)C[C@]1(O)CCCN(CCCc2ccccc2)C1=O 67770186 CDPITQGDMNZUPD-OAQYLSRUSA-N 370.497 1.838 0 50 FDAA Cc1ccccc1OC[C@@H](O)CNS(=O)(=O)c1ccccc1C(=O)O 864271 QRIFUPQRLPICDY-ZDUSSCGKSA-N 365.407 1.411 0 50 FDAA Cc1ccc([C@H](CNC(=O)c2cn(C(C)(C)C)nn2)N2CCOCC2)o1 252482773 DNMUAVRKDDIAMF-HNNXBMFYSA-N 361.446 1.738 0 50 FDAA COc1ccc(N[C@H]2CCCN(C(=O)CCCS(N)(=O)=O)C2)cc1 72131003 BNEPBURESCBKTA-AWEZNQCLSA-N 355.460 1.167 0 50 FDAA CCc1nnc(CN2CCC[C@@H](n3ncc(N(C)C(C)C)cc3=O)C2)n1C 328604617 KKFWRVXQGJOYKD-OAHLLOKOSA-N 373.505 1.616 0 50 FDAA CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)C1(c3ccc(F)cc3)CCOCC1)C2 72422309 UMULXUFOXYLKSF-WMLDXEAASA-N 360.429 1.953 0 50 FDAA Cc1ccc2cc(CN3CC[C@H](CO)[C@H](O)C3)c(N3CCOCC3)nc2c1 72144736 DPFARGPWVUGGOH-YLJYHZDGSA-N 371.481 1.555 0 50 FDAA COC(C)(C)C(=O)N1CCc2c(nc(-c3ccccn3)nc2N(C)C)C1 72128375 RVMFRRSQXKRSTK-UHFFFAOYSA-N 355.442 1.914 0 50 FDAA C[C@H]1NCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 332123905 AOXOCZXOLVHTJY-CJNGLKHVSA-N 369.462 1.047 0 50 FDAA O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)[C@H]1CC12CCOCC2 363315806 ZQLNEWHMLIRIMT-GOSISDBHSA-N 371.481 1.264 0 50 FDAA Cc1cccc(CN2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)n1 72429740 NSPYJCRWNHJWIR-KRWDZBQOSA-N 370.501 1.730 0 50 FDAA COc1ccc(C(=O)N2CCN(C(=O)Cn3nc(C)cc3C)CC2)cc1 31634473 DOZGKNKODNLVLH-UHFFFAOYSA-N 356.426 1.493 0 50 FDAA Cn1cc(C(=O)N2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)cn1 71416256 YZJUTUBYRBBGEK-AWEZNQCLSA-N 359.474 1.015 0 50 FDAA O=C(O)c1cc2c(c(S(=O)(=O)N3CCN(CC4CC4)CC3)c1)CCC2 237997201 HLFNSHIMJVPRCE-UHFFFAOYSA-N 364.467 1.590 0 50 FDAA O=C(NCc1cc(N2CCOCC2)ncn1)[C@H]1Cc2ccccc2S1 72412262 KTJWICJUAVLNHH-MRXNPFEDSA-N 356.451 1.646 0 50 FDAA O=C(O)[C@H]1C[C@H](C(=O)NCc2ccccn2)CN(C(=O)CC2CCCC2)C1 72158496 BUVNRUGEUCTVEO-HOTGVXAUSA-N 373.453 1.827 0 50 FDAA Cc1nc(CN(C)[C@H]2CCN(C(=O)Cc3cn4ccccc4n3)C2)no1 374545153 LAONPSFCKCLWTG-HNNXBMFYSA-N 354.414 1.301 0 50 FDAA O=C1CN(c2ccc(C(=O)N3CCC[C@@H](Cn4ccnc4)C3)cc2)C(=O)N1 77338328 GQCSTQKOIAOEIL-AWEZNQCLSA-N 367.409 1.492 0 50 FDAA O=C(CCc1cn2ccccc2n1)NCc1cc(N2CCOCC2)ncn1 72408367 KPMCROLWBMCGKQ-UHFFFAOYSA-N 366.425 1.210 0 50 FDAA CN1C(=O)[C@H]2CC[C@@H]1CN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2 72462892 DHCCGQTUONKVNI-CMPLNLGQSA-N 362.373 1.947 0 50 FDAA NC(=O)CCNC(=O)[C@@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1 71761327 RQEIKOBGTKXCLU-GOSISDBHSA-N 372.513 1.355 0 50 FDAA Cc1ncnc(NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)c1C 82092098 VOXXGIVGCBKQJI-UHFFFAOYSA-N 350.448 1.067 0 50 FDAA CN(C)C(=O)CC[C@H]1CCCN(C(=O)c2ccc(-n3cnnc3)cc2)C1 82120650 DBDCODSYFLFHJI-OAHLLOKOSA-N 355.442 1.988 0 50 FDAA O=C(O)Cn1ccc([C@@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)n1 426381804 UVNSLAYQJAOMRB-CYBMUJFWSA-N 357.366 1.716 0 50 FDAA CN1Cc2ccccc2C[C@@H]1C(=O)N1CCCN(c2ncccn2)CC1 95387373 ACVFCMDCXCVNHG-GOSISDBHSA-N 351.454 1.572 0 50 FDAA COc1ncccc1C(=O)N1CCn2nc(CNc3ncccn3)cc2C1 426523761 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DXDMYWXVJHAOFM-UHFFFAOYSA-N 372.454 1.943 0 50 FDAA COc1ccc(CCC(=O)N[C@H]2CN(C(C)C)C[C@@H]2OC)cc1OC 299787825 RDIBGXPZMFNBOO-YJBOKZPZSA-N 350.459 1.860 0 50 FDAA CCCN1C(=O)N[C@@H](CC(=O)NCc2noc(-c3cccs3)n2)C1=O 670456227 DSAFJNKIAPJMRE-VIFPVBQESA-N 363.399 1.135 0 50 FDAA CCC(=O)Nc1cccc(-c2noc([C@H]3Cn4cnnc4CN3C)n2)c1 952893207 GQINWFPKMCPTCP-CYBMUJFWSA-N 353.386 1.863 0 50 FDAA C=CC(=O)N1CCC[C@@H](C(=O)N[C@@]2(C(=O)OC)COc3ccccc3C2)C1 1875370903 IIMPZTZLRDWCRK-FOIQADDNSA-N 372.421 1.074 0 50 FDAA CN1CCN(C(=O)c2ccc(OC[C@H]3C[N@]3Cc3cnn(C)c3)cc2)CC1 1875385718 ZXUZHXQSVASTEV-CJAUYULYSA-N 369.469 1.071 0 50 FDAA Cc1ccc(C(=O)N2CC(NC(=O)c3cc4ccc(O)cc4[nH]3)C2)nc1 1875339544 OBFXZPGPTNSVPQ-UHFFFAOYSA-N 350.378 1.831 0 50 FDAA Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1cnc2ncc(Cl)cn12 1875329308 PPOFELFJQFNTJI-ZDUSSCGKSA-N 360.805 1.936 0 50 FDAA CN(CC(F)(F)F)S(=O)(=O)c1ccc2c(c1)NC(=O)CC(=O)N2 886461079 IKVFXYLNFLBWOL-UHFFFAOYSA-N 351.306 1.150 0 50 FDAA COc1ccccc1CC(=O)N[C@H]1CCN(Cc2cccnc2)C[C@@H]1O 1565515999 GOLOOZPKYVQBJQ-ROUUACIJSA-N 355.438 1.384 0 50 FDAA O=C(CCCn1ccnc1)N[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1O 1565516092 VCPLFOQZURQOFF-IRXDYDNUSA-N 356.426 1.055 0 50 FDAA CS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCOC[C@@H]2OCC2CC2)cc1 1565506962 RFXNOBAOLOVYEE-IRXDYDNUSA-N 367.467 1.333 0 50 FDAA O=C(c1ccc(O)cc1)N1CCN(C(=O)[C@@H]2CCc3[nH]ncc3C2)CC1 270509215 ZXEXCTXOTRCBKJ-CQSZACIVSA-N 354.410 1.205 0 50 FDAA O=C(c1ccccn1)N1CCN(C(=O)c2cc3c([nH]c2=O)CCCC3)CC1 109253347 AXJVEJLGKRIOGQ-UHFFFAOYSA-N 366.421 1.247 0 50 FDAA C[C@H](NC(=O)CN1CCCC[C@@H]1C(=O)N1CCOCC1)c1cccs1 170778413 HNOXNVGGPHZYSW-LSDHHAIUSA-N 365.499 1.639 0 50 FDAA O=C(c1nc2ncccn2n1)N1C[C@H]2CC[C@@H](C1)N(Cc1ccccc1)C2 1073277645 QWIYXPKVJGABOF-IRXDYDNUSA-N 362.437 1.861 0 50 FDAA CCOc1ncccc1C(=O)N1CCCN(Cc2cnn(C)c2C)CC1 1529153668 UAEMLNGSZPGMHU-UHFFFAOYSA-N 357.458 1.870 0 50 FDAA O=C(N[C@H]1CCN(Cc2nc3c(s2)CCCC3)C[C@@H]1O)c1cnccn1 216394038 YSFIVPFGAFFMEW-WFASDCNBSA-N 373.482 1.177 0 50 FDAA O=S1(=O)C[C@H](O)[C@@H](n2ccnc2-c2ccccc2Cn2cccn2)C1 216487998 SUUWGTKBFZNTRP-HOTGVXAUSA-N 358.423 1.125 0 50 FDAA O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1C[C@H]2CNC[C@]2(CO)C1 1772707029 VXJBPHHRJRDLJM-DNVCBOLYSA-N 374.462 1.681 0 50 FDAA CSCC(=O)N1CCCN(C(=O)c2ccccc2-n2cnnc2)CC1 1772712682 YWGSLRBEPBZNQI-UHFFFAOYSA-N 359.455 1.305 0 50 FDAA CCOC(=O)CCNC(=O)N1CCC[C@H](CNC(=O)c2cccs2)C1 12112275 MKSNZVRFRDGARK-CYBMUJFWSA-N 367.471 1.853 0 50 FDAA CSCCCNCc1cccc(OC[C@H](O)CN2CCC(O)CC2)c1 15079345 CGHIDSFUYVPYDJ-GOSISDBHSA-N 368.543 1.726 0 50 FDAA Cc1c(CN2CCc3[nH]nc(C(=O)O)c3C2)c(=O)n(-c2ccccc2)n1C 1857672858 KCQQSZUHTYQUFT-UHFFFAOYSA-N 367.409 1.464 0 50 FDAA COc1ccccc1Cn1nc(CC(N)=O)nc1-c1cc(C)ncc1OC 1857675640 BPPWPMOBJZSNLT-UHFFFAOYSA-N 367.409 1.742 0 50 FDAA C[C@@]1(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)CC12CCNCC2 1857690732 QKDUSPFLNNHDQL-INIZCTEOSA-N 354.447 1.495 0 50 FDAA CN(C)C[C@H]1[C@H]2CN(S(=O)(=O)c3cc(F)ccc3F)C[C@]23CC[C@H]1O3 1857707981 CUXJGLMIPGPJCJ-TZDHZFECSA-N 372.437 1.695 0 50 FDAA CCCc1nnc(N2C[C@H](C(=O)N3C[C@H]4C[C@@H](O)C[C@H]4C3)CC2=O)s1 1857720635 COFWXIRDGRSVKZ-YVECIDJPSA-N 364.471 1.073 0 50 FDAA COc1ccc(-n2cccn2)c(CN2CCC3(CC2)CNC(=O)CCO3)c1 1857740630 MVYUFSLYDFVLMI-UHFFFAOYSA-N 370.453 1.752 0 50 FDAA O[C@H]1CN(Cc2ccncc2)CC[C@@H]1N1CCN(c2ccccc2F)CC1 207999328 ARIMMTGGOCRSCK-SFTDATJTSA-N 370.472 1.978 0 50 FDAA CCC[C@]1(CO)CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)C[C@@H]1O 1875249006 DJIXGINKAIJPCN-MAUKXSAKSA-N 365.861 1.693 0 50 FDAA O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1 1632636 YONLFQNRGZXBBF-KBPBESRZSA-N 358.302 1.607 0 50 FDAA biogenic,in-vitro O=C(N[C@H](CO)Cc1ccccc1)C1CCN(C(=O)N2CCCC2)CC1 120373225 RVWQWJZKOMYZTF-SFHVURJKSA-N 359.470 1.634 0 50 FDAA CNS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCc3cc(C)ccc32)CC1 332262039 DTWLDMGBLZRWOC-MRXNPFEDSA-N 351.472 1.275 0 50 FDAA COc1cc(S(=O)(=O)NC[C@H]2CCCNC2)ccc1Br 237229727 USRJFHOZTPJLTJ-JTQLQIEISA-N 363.277 1.736 0 50 FDAA Cn1c(=O)[nH]c2ccc(C(=O)N3C[C@@H](C(=O)O)[C@@H](c4ccccc4)C3)cc21 262793526 CACBUGGVXQHDHQ-HUUCEWRRSA-N 365.389 1.807 0 50 FDAA CS(=O)(=O)NC[C@H]1[C@H]2CN(c3ccc4ccccc4n3)C[C@]23CC[C@H]1O3 1704298472 GDFKCDQKOSGWGQ-BUIAKZPTSA-N 373.478 1.768 0 50 FDAA Cn1nnnc1[C@]1(NCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2325862347 QRFBBFRUVDWNPS-SFHVURJKSA-N 358.446 1.836 0 50 FDAA CC(=O)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(C)cc2)cc1 672638 GAMFBORRVLLCKS-UHFFFAOYSA-N 362.407 1.837 0 50 FDAA COc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2N)cc1 731802 XEYSQOGXTRSGAK-UHFFFAOYSA-N 356.411 1.793 0 50 FDAA O=C(O)CCNC(=O)C1CCC(Cn2cnc3ccccc3c2=O)CC1 2227207 GIJSWFPTKPCZDF-UHFFFAOYSA-N 357.410 1.794 0 50 FDAA Cc1ccccc1[C@H](CNC(=O)c1nc(=O)n(C)[nH]1)N1CCC(C)CC1 2356149610 LXDXONHPAKMINH-INIZCTEOSA-N 357.458 1.620 0 50 FDAA CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)O)c1ccc(F)cc1 4019257 MZSUDMJHLCHLOG-UHFFFAOYSA-N 366.370 1.929 0 50 FDAA Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccccn2)cc1 7499591 BTDYJDXMZXPUBI-KRWDZBQOSA-N 359.451 1.860 0 50 FDAA CCN(CC)C1=NC(=O)C2(CCN(C(=O)[C@H]3CCCCCN3C)CC2)N1 55283297 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369.447 1.253 0 50 FDAA CCC(CC)N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)CCn2cccn2)[C@H]3C1=O 77440042 CACJQYURAVOFLH-CLWJZODNSA-N 372.469 1.312 0 50 FDAA Cc1cccc2[nH]c([C@H]3CCCN(C(=O)CN4C(=O)CNC4=O)C3)nc12 77385737 KTAKVSOPKVRUMF-LBPRGKRZSA-N 355.398 1.129 0 50 FDAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)C(C)=O)C3)C2=O)c1OC 72165041 UIXDQUGJFQMWKE-HXUWFJFHSA-N 374.437 1.634 0 50 FDAA O=C(c1ccncc1)N1CCC(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](O4)[C@H]3C2)CC1 71746205 OFVHIHQISGLYAK-FZDBZEDMSA-N 355.438 1.570 0 50 FDAA COc1ccc2sc(C(=O)N3CC[C@H](NS(C)(=O)=O)C3)c(C)c2c1 173798025 LRUKCSNLDQGUKH-NSHDSACASA-N 368.480 1.982 0 50 FDAA COCC(=O)N1CCCN(Cc2cc3c(cc2OC)OCCO3)CC1 215202877 IMNNXRGIKOPQMX-UHFFFAOYSA-N 350.415 1.147 0 50 FDAA CC(=O)c1cc(C(=O)N2CCCN(c3ccncc3C)CC2)c(=O)[nH]c1C 77471021 INYJCDHWFRYXKP-UHFFFAOYSA-N 368.437 1.942 0 50 FDAA C[C@@H]1CCCc2nc(S(=O)(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)cn21 333182047 PYKPVWBFIRNDSD-SNVBAGLBSA-N 374.422 1.807 0 50 FDAA Cc1ncsc1CCC(=O)N1CCOC[C@@](O)(CN2CCCC2)C1 77426420 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SHVPQUVKWRHHNC-CQSZACIVSA-N 358.360 1.504 0 50 FDAA NS(=O)(=O)CC1CCN(C(=O)NCCOC2CCCCCC2)CC1 331484135 IXPQYMHTZBSLDQ-UHFFFAOYSA-N 361.508 1.436 0 50 FDAA C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC(CC(N)=O)CC1 124898174 RRZVBNIAXXCIIH-QFBILLFUSA-N 372.513 1.353 0 50 FDAA COCCNc1nc2cc(C(=O)NCc3n[nH]c4c3CCC4)ccc2n1C 215833910 PCILKUXHGOULQI-UHFFFAOYSA-N 368.441 1.773 0 50 FDAA Cc1ccc2nc(CNC(=O)[C@@H]3CCCN3S(C)(=O)=O)[nH]c2c1C 71662745 KHYDNWSPFLLZGU-ZDUSSCGKSA-N 350.444 1.220 0 50 FDAA CN1C(=O)C[C@@H](CNc2cc(=O)n3ccccc3n2)[C@@H]1c1cnn(C)c1 364602459 KBRLIOMPKHHXGR-KPZWWZAWSA-N 352.398 1.060 0 50 FDAA C[C@H](CNc1ncnn2c(Br)ccc12)N1CCN(C)CC1 240407422 FMCQERRHCNPGGO-LLVKDONJSA-N 353.268 1.540 0 50 FDAA O=C(CCCC[C@@H]1[C@@H]2NC(=O)N[C@H]2CS1(=O)=O)Nc1ccccc1F 240540860 GPTKWFUKIMGVDD-GZBFAFLISA-N 369.418 1.172 0 50 FDAA O=C(NCCn1ncc2ccccc2c1=O)[C@@H](O)c1cccc(Cl)c1 219611396 RSNHNDWXTDRWQC-INIZCTEOSA-N 357.797 1.900 0 50 FDAA O=C(CCc1cc2n(n1)CCCNC2)NCC[C@@H]1COc2ccccc2O1 72453587 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CCCNS(=O)(=O)c1ccc(C(=O)NCCc2csc(N)n2)cc1 223897515 TXQZPEOMHHKNBA-UHFFFAOYSA-N 368.484 1.386 0 50 FDAA Cc1nc(C)c(CC(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c(=O)[nH]1 222646763 RLWXJSJLDUJBFZ-ZDUSSCGKSA-N 374.828 1.504 0 50 FDAA CS(=O)(=O)N1CCCn2nc(CNC(=O)C3CCCCC3)cc2C1 82107641 KWVJFAGLYVPHFL-UHFFFAOYSA-N 354.476 1.245 0 50 FDAA Cc1nc(S(=O)(=O)N2CCCC[C@@H]2c2n[nH]c(C(C)C)n2)cn1C 289046190 ICRGGZVEKBKFHV-GFCCVEGCSA-N 352.464 1.886 0 50 FDAA NC(=O)COc1cccc(-c2ccc(C(=O)N3CCC[C@H](O)C3)cc2)c1 426566903 ODMQVSJARIUSDU-KRWDZBQOSA-N 354.406 1.815 0 50 FDAA COc1ccc2[nH]cc(C(=O)N3C[C@H]4CC[C@@H]3CN(C(C)=O)C4)c(=O)c2c1 91770034 YFBRGOSLLQAAIT-UONOGXRCSA-N 369.421 1.620 0 50 FDAA CC(C)[C@@H]1CN(C(=O)c2ccc(Cn3ccnc3)o2)C[C@H]1NC(=O)N(C)C 91847003 XFVMGISGZQINSR-JKSUJKDBSA-N 373.457 1.892 0 50 FDAA COc1cc(NC(=O)N[C@H](C)c2c(C)nn(C)c2C)cc(-n2cnnn2)c1 96140146 AFUJNKWWXWELCU-SNVBAGLBSA-N 370.417 1.904 0 50 FDAA Cc1ccc(CNC(=O)[C@H]2CCC(=O)N(CCCN3CCCC3=O)C2)o1 91325714 MTZMMLHVHFVROF-HNNXBMFYSA-N 361.442 1.455 0 50 FDAA CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCc1cc(Cl)no1)C2 92020376 PWMFLOUIUVNRGS-NWDGAFQWSA-N 354.838 1.865 0 50 FDAA NC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)CCc2cc(Cl)no2)C1 95517700 AXRUWXFSQDUSFU-NSHDSACASA-N 365.821 1.349 0 50 FDAA Cn1ncc(Cl)c1C(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)C1CCC1)C2 91665036 MXZPHDOBPVCUQB-WCQYABFASA-N 350.850 1.937 0 50 FDAA O=C(Cn1ncc2ccccc2c1=O)N(Cc1cocn1)Cc1cocn1 95501814 UJPPZSBONRSSHB-UHFFFAOYSA-N 365.349 1.602 0 50 FDAA Cc1cnc(C(=O)N2CCC[C@H](c3nccn3CCCN(C)C)C2)cn1 95502884 JMHPCKLFTXXRBQ-INIZCTEOSA-N 356.474 1.953 0 50 FDAA COc1cccc2c1OCC(CN1CCN(C)[C@@]3(CCNC(=O)CC3)C1)=C2 91548746 FAHLWNAQAHYMFX-NRFANRHFSA-N 371.481 1.757 0 50 FDAA CCn1cnnc1CCNC(=O)[C@@H]1CCC(=O)N(CCc2ccccc2)C1 91966443 MRSOGILVGYHSNT-QGZVFWFLSA-N 369.469 1.438 0 50 FDAA Cc1cc(NC(=O)N2CCN(C[C@H](O)CN(C)C)CC2)ccc1Cl 97323855 AAOBNLKTVNIOFK-OAHLLOKOSA-N 354.882 1.720 0 50 FDAA Cc1[nH]ccc1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCC(=O)O)C1 91818289 IYGNLPDSOFCWAJ-WBVHZDCISA-N 362.474 1.266 0 50 FDAA NC(=O)CN1C(=O)[C@@]2(CCN(C(=O)CSCC3CC3)C2)c2ccccc21 91270568 CLRRWAYFVHYHCB-LJQANCHMSA-N 373.478 1.132 0 50 FDAA COc1ccc(F)cc1[C@H](NC(=O)CCn1nnnc1C)[C@H]1C[C@@H](O)C1 244734857 NNBMHCCRRLCXSL-BTJLNZGRSA-N 363.393 1.148 0 50 FDAA O=C1CC[C@H]2CN(C(=O)[C@H]3CC[C@@H](O)CC3)CC[C@H]2N1CCCCO 244774098 PNYJMANKMCGCRM-MWDXBVQZSA-N 352.475 1.150 0 50 FDAA COc1ccc(N2C[C@H](C(=O)N(C)C[C@H](C)C(=O)O)CC2=O)cc1OC 299748864 IMPBDHPCNBIDPF-NWDGAFQWSA-N 364.398 1.236 0 50 FDAA CN1CCC[C@@H]1CCNC(=O)Nc1cc(NS(C)(=O)=O)ccc1F 299781206 STBZYLMEPCRDAV-GFCCVEGCSA-N 358.439 1.803 0 50 FDAA O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NC1Cc2ccccc2C1 71385219 DMDQVSZFMMAFKL-RYRKJORJSA-N 359.495 1.996 0 50 FDAA biogenic Cc1n[nH]c(SCC(=O)N[C@H]2CCCN(Cc3cccc(O)c3)C2)n1 299755103 BSJZOKFATGAZQG-AWEZNQCLSA-N 361.471 1.692 0 50 FDAA CN(CCCOc1ccccc1F)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 299787587 NTFBDSDMIRENJO-CQSZACIVSA-N 372.462 1.172 0 50 FDAA O=C(O)c1ccccc1S(=O)(=O)NC[C@@H]1CC(=O)N(C2CCCC2)C1 828247938 JMRQUBJCCYMIEB-LBPRGKRZSA-N 366.439 1.454 0 50 FDAA COCC1CCN(S(=O)(=O)NCC2(N3CCCCC3)CCCC2)CC1 824372092 GQVCWXINIRKWQJ-UHFFFAOYSA-N 373.563 1.978 0 50 FDAA CCC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)C(=O)C2(C)C)cc1 268026396 CPJNVZREEWTPHP-UHFFFAOYSA-N 353.444 1.276 0 50 FDAA CC(C)c1cc(CNC(=O)N2CCN(c3ncccc3C(N)=O)CC2)no1 584903516 PHSWECOIUGHAGY-UHFFFAOYSA-N 372.429 1.324 0 50 FDAA O=C(N=c1[nH]nc([C@H]2CCOC2)s1)c1ccncc1Br 1875321100 UQZSDJLDVNJEBS-ZETCQYMHSA-N 355.217 1.874 0 50 FDAA C=CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC(c3ccccc3)=NO2)CCCO1 1875386048 HVBKIZBNIDUSRV-NVXWUHKLSA-N 357.410 1.099 0 50 FDAA CO[C@@H]1CN(c2ccnc(N3CCNc4ccccc4C3)n2)C[C@@H]1N(C)C 1875398573 WRZXFPPMQIANOD-ZWKOTPCHSA-N 368.485 1.674 0 50 FDAA O=C1C[C@H](C2CN(C(=O)c3sc(N4CCCC4)nc3Cl)C2)C(=O)N1 1875301131 BCBAWKFRKWKJDL-SECBINFHSA-N 368.846 1.131 0 50 FDAA CC(C)[C@@H](F)C(=O)N1CCC2(CC1)CN([C@H]1CCN(C(C)C)C1=O)C2 1875358173 MGYNMZIPIUUPJW-JKSUJKDBSA-N 353.482 1.914 0 50 FDAA CC(=O)N1CC2(C1)[C@@H](C(=O)N1CCC(C(C)(C)C)CC1)CCS2(=O)=O 1875393539 NVDFPYHMYZRJGR-OAHLLOKOSA-N 370.515 1.307 0 50 FDAA C[C@@H]1COC[C@@](CO)(CNC(=O)C2CC(F)(F)C2)N1Cc1ccccc1 1875396404 GBUXEJMPIOUNKB-KDOFPFPSSA-N 368.424 1.800 0 50 FDAA CCN(C(=O)Cc1cnc2c(C)cccn12)[C@H]1CCN(C(=O)COC)C1 1875325758 BVFZELDQKVRPAD-HNNXBMFYSA-N 358.442 1.281 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O)c1cnn2cccnc12 1875402535 ISWHRCUZHYEQGH-LERXQTSPSA-N 360.805 1.149 0 50 FDAA CN1CCN(C(=O)c2n[nH]c3c(O)ncnc23)C[C@@H]1c1ccccc1Cl 1875403834 GJKHYYUDWFMQQC-GFCCVEGCSA-N 372.816 1.841 0 50 FDAA CN(C[C@H](O)c1ccc(O)cc1)C(=O)Cc1nn(C)c(=O)c2ccccc12 888104945 RLIRCNPLUBCUIP-SFHVURJKSA-N 367.405 1.374 0 50 FDAA CN(C[C@H](O)c1ccc(O)cc1)C(=O)Cn1nc2c(cc1=O)CCCCC2 888104538 AWTNXQPAZQDMFV-SFHVURJKSA-N 371.437 1.410 0 50 FDAA CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC[C@H](C(=O)O)[C@@H]1CCOC1 1345171990 VPVHZQYDJMTBQY-NJAFHUGGSA-N 374.437 1.376 0 50 FDAA CCCN1CCC(NC(=O)C(=O)Nc2cccc(Br)n2)CC1 170617181 OBILFIREQICOFN-UHFFFAOYSA-N 369.263 1.773 0 50 FDAA C[C@H]1CN(C(=O)c2ccc(-c3ncn(C)n3)cc2)CC2(CCOCC2)O1 279305629 ZVSSSQOFORKAJR-AWEZNQCLSA-N 356.426 1.892 0 50 FDAA Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CCO[C@H](c2cccs2)C1 280167170 CEEFMFLPYGJNFN-KSSFIOAISA-N 362.451 1.569 0 50 FDAA CC(=O)N[C@H]1CCCN(C(=O)CN2CCCN(c3ccccc3)CC2)C1 193781335 GBELEFGGRHTXNW-SFHVURJKSA-N 358.486 1.326 0 50 FDAA O=C(NC1CC1)[C@H]1CCCN1C(=O)CN1CCN(Cc2ccccc2)CC1 194536685 FUSIAQHZWAOVCR-LJQANCHMSA-N 370.497 1.074 0 50 FDAA COc1ccc2cc([C@H](C(=O)O)N3C[C@@H](CO)C[C@@H](CO)C3)ccc2c1 1529180685 IKKCSBZKRUGBGL-BIENJYKASA-N 359.422 1.897 0 50 FDAA COCc1noc(CN2CCCN(C(=O)Cc3cccs3)CC2)n1 1772710493 WVRPANHDIDBBSO-UHFFFAOYSA-N 350.444 1.555 0 50 FDAA COc1ccc(C(=O)[C@@H]2CCCN(C(=O)CCNC(C)=O)C2)cc1OC 11934426 DNPVIJQHGWXYIV-OAHLLOKOSA-N 362.426 1.651 0 50 FDAA COCCN(C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1C)C(C)C 12576628 GNUOQFBTAURKNH-SFHVURJKSA-N 361.486 1.569 0 50 FDAA CCOc1cc(Br)ccc1S(=O)(=O)N1CCN(C)CC1 16474825 REPUTPLKPQCJJV-UHFFFAOYSA-N 363.277 1.784 0 50 FDAA COCCCN1C(=S)N[C@H]2c3ccccc3O[C@@]1(C)[C@@H]2C(=O)N(C)C 169691374 GCRVCGKUJQZVAT-MPGHIAIKSA-N 363.483 1.767 0 50 FDAA CN(C)C(=O)CCC(=O)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857680158 CQBGQDAFOQAMEE-IBGZPJMESA-N 359.426 1.131 0 50 FDAA O=C(O)CN1CCC2(CC1)CN(C(=O)C1CCCCCC1)C[C@H]2C(=O)O 1857693301 QNNYZEIQEWOSKX-HNNXBMFYSA-N 366.458 1.667 0 50 FDAA CCc1nnc(N2C[C@H](C(=O)N3CCC(CCO)CC3)CC2=O)s1 1857700826 MNCMURDVJDWGMI-GFCCVEGCSA-N 352.460 1.074 0 50 FDAA CCc1nnc(N2C[C@H](C(=O)N3CCC4(CCNCC4)C3)CC2=O)s1 1857736442 PGTJQTMQRMFVBY-GFCCVEGCSA-N 363.487 1.056 0 50 FDAA O=C(NCc1ccccc1CN1CCCC1=O)[C@@H]1CCn2nccc2C1 1857741070 BAUCUTWTNYOCIM-OAHLLOKOSA-N 352.438 1.884 0 50 FDAA CS(=O)(=O)NC[C@H]1[C@H]2CN(C(=O)C3CCCCCC3)C[C@]23CC[C@H]1O3 1875245277 SNAHIISGVNMVCH-BVIKNXMNSA-N 370.515 1.512 0 50 FDAA O=C1CN(C(=O)[C@@H]2CCn3ccnc3C2)CCN1Cc1cccc(F)c1 161934950 XGORULXZBIGDNK-OAHLLOKOSA-N 356.401 1.456 0 50 FDAA NC(=O)NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)c1 802330145 PIUJKXHRCAZWEN-AWEZNQCLSA-N 353.334 1.215 0 50 FDAA CN1C[C@H]2COC[C@@H]1CN(Cc1ccc(OCC(=O)N3CCCC3)cc1)C2 1704335976 RJXRTMZHTQGXTG-MOPGFXCFSA-N 373.497 1.450 0 50 FDAA COc1cc(S(N)(=O)=O)c(OC)cc1-c1c(C)cc(F)cc1CO 2325773353 OKPMURYNDZXTIK-UHFFFAOYSA-N 355.387 1.958 0 50 FDAA C[C@H](CC(=O)N[C@H](Cc1ccsc1)C(=O)O)NC(=O)C1CCCC1 2325778417 YRNQSMBGSMACJF-BXUZGUMPSA-N 352.456 1.945 0 50 FDAA O=C(CCc1nc2ccccc2[nH]1)N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O 2325785882 RVXPQKIHUPWENE-IAOVAPTHSA-N 353.426 1.648 0 50 FDAA COc1ccc2c(c1)CCC[C@@]2(NC(=O)C[C@@H]1CCC(=O)N1C)C(=O)O 2325812832 LJGVFTCBGJCGSM-DJJJIMSYSA-N 360.410 1.439 0 50 FDAA C[S@](=N)(=O)c1cccc(CNS(=O)(=O)c2cnc3n2CCC3)c1 2325850158 NTIWWNCGSHINFW-QFIPXVFZSA-N 354.457 1.343 0 50 FDAA Cn1nnnc1SCC(=O)N1CCN(c2cccc(Cl)c2)CC1 815648 ZZTARYKQMTWHDP-UHFFFAOYSA-N 352.851 1.304 0 50 FDAA Cc1cccc(N2C(=O)C[C@H](N3CCN(c4ncccn4)CC3)C2=O)c1 850782 VRYAQJRLWXWOEY-INIZCTEOSA-N 351.410 1.239 0 50 FDAA COc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC 947759 MMIOOUUYTYXLEY-UHFFFAOYSA-N 350.396 1.532 0 50 FDAA biogenic CCc1nc2ccccc2n1CCC(=O)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 2356152277 WTABUIPKGMCJEX-XJKSGUPXSA-N 361.467 1.634 0 50 FDAA NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@]3(CCc4c[nH]nc43)C2)cc1 2356155527 GUZKPGWXKVYYGI-QGZVFWFLSA-N 360.439 1.177 0 50 FDAA COCCNC(=O)C1CCN(S(=O)(=O)c2ccc(SC)cc2)CC1 4986445 QZGCYGMGPWOMQQ-UHFFFAOYSA-N 372.512 1.572 0 50 FDAA CC1(C)C(=O)NCCN1C(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O 110707613 JAWJYWRGLCAIRH-LLVKDONJSA-N 351.353 1.055 0 50 FDAA NC(=O)c1csc(N2CCN(Cc3ccsc3)[C@H](CCO)C2)n1 106975601 XJAFETQGQYBWJF-GFCCVEGCSA-N 352.485 1.377 0 50 FDAA Cc1nc(S(=O)(=O)C[C@H](O)CO)n([C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C 247046178 NHVHDXGWMHFQLA-LYYZXLFJSA-N 356.488 1.624 0 50 FDAA CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(C)(C)NC(=O)c1cccs1 55060521 SAUNUWFPTNUXOG-AWEZNQCLSA-N 367.515 1.826 0 50 FDAA CCCN1C[C@H](Nc2nc(-c3cccnc3)nc3c2CCNC3)CC1=O 67847693 SXEUEDAJINHPOS-CQSZACIVSA-N 352.442 1.607 0 50 FDAA CN1CCC2(CCC1=O)CCN(C(=O)c1ccnc(-n3cnnc3)c1)CC2 67947429 IRCVZZXWJOOFLK-UHFFFAOYSA-N 368.441 1.527 0 50 FDAA Cc1cc(N2CCC3(CC2)NCCNC3=O)nc(-c2ccccc2O)n1 67726856 CQILMMLYEGMORR-UHFFFAOYSA-N 353.426 1.216 0 50 FDAA CC(C)[C@@H](N)C(=O)NCc1cccnc1N1CCN(c2ccccn2)CC1 67458261 PHHDFHXGRVQJHD-GOSISDBHSA-N 368.485 1.403 0 50 FDAA Cc1ncc2c(c1CNC(=O)COCc1nc3ccccc3[nH]1)CCNC2 72406976 FMVBVNGQKNYRCD-UHFFFAOYSA-N 365.437 1.745 0 50 FDAA c1ccc(-c2nc3c(c(N4CC[C@H](n5ccnc5)C4)n2)CCNCC3)nc1 65376378 CYUVSTDKRLFPFU-HNNXBMFYSA-N 361.453 1.875 0 50 FDAA CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)COc2ccccc2)C1 67612984 FWQCDRDXCHRDMC-LSDHHAIUSA-N 354.472 1.632 0 50 FDAA CC(C)(C)NC(=O)CN1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 252495555 OTJBKUCQYSVSNM-AWEZNQCLSA-N 373.375 1.973 0 50 FDAA C[C@@H]1CN(C[C@@H]2CCCN2C(=O)[C@H]2COc3ccccc3O2)C[C@@H](C)O1 252458532 OQOCMGYSRWNGOM-OAFZBRQQSA-N 360.454 1.927 0 50 FDAA O=S(=O)(C[C@@H]1CCOC1)N1CCCN(c2ccc(F)c(F)c2)CC1 367399830 RBAQMGSKALENLW-CYBMUJFWSA-N 360.426 1.843 0 50 FDAA O=C(CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)Nc1cccnc1 129556128 NYFFFSFAMRKITR-UHFFFAOYSA-N 350.737 1.568 0 50 FDAA O=C(CN1CCCC1)N1CCc2nnc(CCc3ccccc3)n2CC1 67514363 XKVJNEBUMHNRLC-UHFFFAOYSA-N 353.470 1.544 0 50 FDAA Cc1cc(S(=O)(=O)n2[nH]c(=O)c(CCO)c2C)c(Cl)cc1Cl 4089450 RDGVTQMMTZQJNJ-UHFFFAOYSA-N 365.238 1.872 0 50 FDAA CCNC(=O)CCN1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1 72435996 DEKGQXCTYZFPTQ-UHFFFAOYSA-N 361.490 1.327 0 50 FDAA Cc1nc(C)c(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCCO3)c(=O)[nH]1 32742973 PAOIGMYTXAQHAN-NSHDSACASA-N 357.410 1.968 0 50 FDAA COCCOc1cccc(CN[C@@H]2CCCN(c3nccn(C)c3=O)C2)c1 328626868 FOESUUZKBYRBEZ-QGZVFWFLSA-N 372.469 1.564 0 50 FDAA CC(C)c1nnc([C@H]2CN(S(=O)(=O)C[C@@H]3CCCCO3)CCO2)o1 328614962 AOSMBKNKDKYVEQ-QWHCGFSZSA-N 359.448 1.465 0 50 FDAA Cc1nn(C)c(=O)c(C(=O)N2C[C@@H](CO)[C@H](c3cnn(C(C)C)c3)C2)c1C 329197301 UDJBCBBQSRIJCA-HOTGVXAUSA-N 373.457 1.023 0 50 FDAA O=C(NCCO)[C@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 71735925 QIKVZARHTXAXPU-IBGZPJMESA-N 371.525 1.439 0 50 FDAA O=S(=O)(c1cnc[nH]1)N1CCC(N2CCc3cc(F)ccc32)CC1 369323151 VUEWSWZNFGFFQR-UHFFFAOYSA-N 350.419 1.765 0 50 FDAA CNc1nc(C(=O)N2CCN(Cc3ccc(OC)cc3)C(=O)C2)cs1 77538889 GLXVGMIOGASGPZ-UHFFFAOYSA-N 360.439 1.678 0 50 FDAA O=C(N[C@@H]1CCOC[C@H]1OCC1CCC1)c1cnc2ccccn2c1=O 219882287 NJQZRVQBUVTOMC-HZPDHXFCSA-N 357.410 1.399 0 50 FDAA COc1ccccc1CC(=O)N1CCC[C@@H](c2nnc(CN(C)C)n2C)C1 72411440 DFCMYUDQWRAUBS-MRXNPFEDSA-N 371.485 1.834 0 50 FDAA CC(=O)N1CCC[C@@](O)(C(=O)NCC2(c3ccccc3Cl)CC2)C1 285403811 MNDKFIOBBFVNBW-SFHVURJKSA-N 350.846 1.861 0 50 FDAA CN(C)c1ncnc2c1CCN(C(=O)CN1CC[C@H](c3ccccc3)C1)C2 71771121 UMRIWPQQINBYOW-KRWDZBQOSA-N 365.481 1.917 0 50 FDAA O=C(CCN1CCCCC1=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1 219608875 JJEDVUHMFRJYIW-MSOLQXFVSA-N 360.454 1.880 0 50 FDAA CNC(=O)c1ccnc(N2CCC[C@]3(CCC(=O)N(CCCOC)C3)C2)c1 77535910 LOPGSNSOZWAYKC-FQEVSTJZSA-N 374.485 1.687 0 50 FDAA CN(Cc1ncc[nH]1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CC(C)(C)C)C(=O)[C@@H]13)O2 77406801 QCJPUFJXIPAFON-JQZVDIJISA-N 358.442 1.196 0 50 FDAA Cc1ncc2c(c1CNC(=O)c1ccc(N3CCOCC3)cc1)CCNC2 72454215 UCTRCHYTIADGBB-UHFFFAOYSA-N 366.465 1.802 0 50 FDAA CC(=O)N1CCc2cc(C(=O)N3CCC[C@H]3CN3CCOCC3)ccc21 174485926 JKJYFAPANQZETM-SFHVURJKSA-N 357.454 1.532 0 50 FDAA Cn1cc([C@H](NS(=O)(=O)Cc2ccc(F)cc2)C2CC(O)C2)cn1 223665718 DFMFDMSTBMFTOQ-VDSRIPIWSA-N 353.419 1.491 0 50 FDAA O=C(c1ccccn1)N1CCC(N[C@@H]2COCC[C@@H]2OCC2CC2)CC1 223399315 CPCRRRZLCVYDHG-MOPGFXCFSA-N 359.470 1.860 0 50 FDAA O=C(CCCn1cnnn1)N1CCCN(CCCc2ccccc2)CC1 82106823 LLBYICWSDAEGJO-UHFFFAOYSA-N 356.474 1.620 0 50 FDAA COc1ccc(CCC(=O)N[C@@H](c2cnn(C)c2)C2CC(O)C2)cc1OC 222568477 ZHHFWLJPOUNHSW-QJXPYNDKSA-N 373.453 1.998 0 50 FDAA COc1cc2c(cc1C(=O)N[C@@H]1COCC[C@@H]1OCCN(C)C)CCC2 222752979 QVYJZJMRBZIVQW-MSOLQXFVSA-N 362.470 1.649 0 50 FDAA CC(=O)Nc1cccc(C(=O)N2CCC[C@H](c3ccn(CCO)n3)C2)c1 426495625 NOOSRSRJRDLVSG-INIZCTEOSA-N 356.426 1.854 0 50 FDAA CN(C)S(=O)(=O)c1cccc(CN2CCCC[C@H]2c2nc(=O)[nH][nH]2)c1 289447547 WZWICBOROGDPAJ-AWEZNQCLSA-N 365.459 1.076 0 50 FDAA Cn1ccn2ncc(C(=O)N[C@@H]3CCOC[C@H]3OCc3cscn3)c12 222302727 CNHIBKCPJADIEF-ZIAGYGMSSA-N 361.427 1.233 0 50 FDAA Cc1cc(C(F)(F)F)nc(CCN=c2cc([C@@H]3CCOC3)nc(N)[nH]2)n1 426658468 QWYIKOVVRLVVFC-SNVBAGLBSA-N 368.363 1.756 0 50 FDAA Cc1ccc2nc(CN=c3cc([C@@H]4CCOC4)[nH]c(=NCCO)[nH]3)[nH]c2c1 426405743 PNCXJYSKSANNMT-CYBMUJFWSA-N 368.441 1.025 0 50 FDAA O=C(CCc1cc2n(n1)CCCN(c1ncnc3[nH]cnc13)C2)NC1CC1 85479381 LBKIANBZZWPFAT-UHFFFAOYSA-N 366.429 1.171 0 50 FDAA CCOc1cccc(CN2CCn3nc([C@H](O)CC(=O)N(C)C)cc3C2)c1 221374623 YZMKUCJHPDZKDB-LJQANCHMSA-N 372.469 1.809 0 50 FDAA COc1ccccc1N1CCN(C(=O)CSc2nc(C)n[nH]2)CC1=O 82121822 XBNAMEAJWZBYON-UHFFFAOYSA-N 361.427 1.089 0 50 FDAA CN(CCNc1cc([C@@H]2CCOC2)ncn1)C(=O)c1cn2ccsc2n1 426424433 YPGINAGSCKACBB-GFCCVEGCSA-N 372.454 1.874 0 50 FDAA Cc1c(NC(=O)N2CCN(CC(C)C)[C@@H](CCO)C2)cccc1C(N)=O 426370844 VAPQGCFLZUFQFC-HNNXBMFYSA-N 362.474 1.650 0 50 FDAA Cc1nc(-c2cccnc2)ncc1C(=O)N1CC[C@@]2(CCCN(C)C2=O)C1 91575302 DGJGJWGDXYHRGI-FQEVSTJZSA-N 365.437 1.932 0 50 FDAA NC(=O)c1ccc(-c2nc(-c3ccc[nH]3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 96132548 IPYNYPHRVFAWBD-ZDUSSCGKSA-N 371.422 1.399 0 50 FDAA Cc1nnc(SCCCNC(=O)c2cnc3sccn3c2=O)s1 97766348 KUFRAFAIVLQDQO-UHFFFAOYSA-N 367.481 1.828 0 50 FDAA CN1[C@H]2CC[C@H]1CC(N1CCN(C(=O)c3ccc4nccn4c3)CC1)C2 179227754 UEBPWUFLZRGMDJ-IRXDYDNUSA-N 353.470 1.717 0 50 FDAA O=C(c1ccc(-n2cnnn2)cc1)N1CCC(N2CCSCC2)CC1 97480017 KQGMMFBCJXIDAE-UHFFFAOYSA-N 358.471 1.316 0 50 FDAA Cc1nc(CN2CCN(C(=O)Cn3ccnc3-c3ccccc3)CC2)no1 95518788 VFMXVLDQKRIDLH-UHFFFAOYSA-N 366.425 1.586 0 50 FDAA Cc1cc(NC(=O)N2CCN(c3ncccc3C(N)=O)CC2)n(C(C)C)n1 96163233 FMZBWQYLRFRHED-UHFFFAOYSA-N 371.445 1.620 0 50 FDAA CN(C)Cc1nnc([C@@H]2CCCN(C(=O)c3onc4c3CCCC4)C2)n1C 426657117 ZVLJMGXTWKLLKF-CYBMUJFWSA-N 372.473 1.763 0 50 FDAA O=C1C[C@@H](C(=O)N2CCN(c3nccs3)CC2)CN1Cc1cccnc1 95531077 VDELOKWUCAJQLN-OAHLLOKOSA-N 371.466 1.235 0 50 FDAA OCc1cn(C2CCN(Cc3cc4c(cc3Cl)OCO4)CC2)nn1 23191761 ZUMUTXHMWLLVQO-UHFFFAOYSA-N 350.806 1.990 0 50 FDAA COCCN(C)C[C@@H]1CN(C(=O)c2ccc(OC)cc2C)C[C@@H]1CO 91621115 MTRBIPRJTCFPLJ-HZPDHXFCSA-N 350.459 1.262 0 50 FDAA Cc1nc2ccc(C(=O)N3C[C@H]4CC[C@@H]3CN(S(C)(=O)=O)C4)cc2o1 91350877 FJXKTAIPNFBOQI-GXTWGEPZSA-N 363.439 1.632 0 50 FDAA CCn1c(Cn2cncn2)nnc1C1CCN(c2cc(C)nc(N)n2)CC1 91305655 PGZPAGHYNYLTSN-UHFFFAOYSA-N 368.449 1.002 0 50 FDAA CCCc1n[nH]c(NC(=O)N2CCN(Cc3ccoc3)[C@H](CCO)C2)n1 23505833 KAGFIXUVJOMUMB-CQSZACIVSA-N 362.434 1.451 0 50 FDAA Cn1c(Cn2ccnc2)nnc1[C@H]1CCCN(C(=O)c2cccc(O)c2)C1 95355457 XIKGWWPAMHDJBZ-HNNXBMFYSA-N 366.425 1.785 0 50 FDAA CC(=O)NCC[C@@H]1CCCCN1C(=O)CCc1nc(-c2cccnc2)no1 91461122 QNPAJOVCTSIVCX-INIZCTEOSA-N 371.441 1.972 0 50 FDAA CNc1cc(C(=O)N2CC[C@@]3(CCCN(C4CCOCC4)C3=O)C2)ccn1 91964644 OHEAXTFLQUNILI-FQEVSTJZSA-N 372.469 1.757 0 50 FDAA O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCCn1cncn1)C2 91350869 PIKRPPFZYQFLHV-FUHWJXTLSA-N 367.453 1.822 0 50 FDAA COc1ccc2c(c1)cc(C(=O)N1Cc3nc[nH]c3C[C@@H]1C(=O)O)n2C 95522804 OPZSMEWBDFVSLI-MRXNPFEDSA-N 354.366 1.562 0 50 FDAA O=C(CN1CCOC1=O)N1CCC(c2nccn2Cc2cccnc2)CC1 91951512 RFULPBCPEMOHFG-UHFFFAOYSA-N 369.425 1.485 0 50 FDAA O=C(c1ccc[nH]1)N1CCN(C(=O)[C@H](c2cccnc2)N2CCCC2)CC1 95527922 XVAYJHJALLLSHY-SFHVURJKSA-N 367.453 1.531 0 50 FDAA COc1ccc([C@@H](NC(=O)CCN2CCCCC2=O)[C@H]2C[C@@H](O)C2)cn1 244887872 YPXBHBZLHZOWPO-ZRGWGRIASA-N 361.442 1.421 0 50 FDAA CC[C@H](C)[C@@H](CO)NC(=O)CC[C@H]1N=C(O)N(Cc2ccccc2)C1=O 252552877 VCVBPHQYHNRCOX-NUEKZKHPSA-N 361.442 1.615 0 50 FDAA CNc1cc([C@H]2C[C@@H](NC(=O)c3coc(CN4CCOCC4)c3)C2)ncn1 252571004 XNUVNJSGMJTLPO-OTVXOJSOSA-N 371.441 1.620 0 50 FDAA COCCn1nnnc1[C@H]1CN(Cc2ccc(-n3cccn3)cc2)CCO1 252478177 AFDVQHRIWMLTEZ-QGZVFWFLSA-N 369.429 1.079 0 50 FDAA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)N(CCN(C)C)CC(=O)O)CC1=O 299748631 HTEPUFDWDUFRHN-HOCLYGCPSA-N 361.442 1.071 0 50 FDAA CCN(C(=O)NCc1ccc(OC(C)C)c(OC)c1)[C@H]1COC[C@@H]1O 534669336 QTJBLNDPJUZEGZ-GJZGRUSLSA-N 352.431 1.774 0 50 FDAA OC1CN(c2nc(NCCNc3cccnc3)cc([C@H]3CCOC3)n2)C1 299763641 PYWXVSTZTZINMF-ZDUSSCGKSA-N 356.430 1.080 0 50 FDAA COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)N1CCCO1 55088770 BCTHGIBPVXADCE-IEXSPKMKSA-N 359.426 1.063 0 50 FDAA O=C(CN1CCN(c2ncccn2)CC1)NCCc1nc2ccccc2o1 299755482 AFVCQPNGBFCKQZ-UHFFFAOYSA-N 366.425 1.099 0 50 FDAA Cc1ccc(-c2noc(CCNC(=O)[C@@H]3CCCCn4nnnc43)n2)cc1 299793839 HYCWABFKWKTTEM-CQSZACIVSA-N 367.413 1.658 0 50 FDAA COc1ccc(C(=O)N[C@H](C)c2nnc(N)s2)cc1OCCCN 299802355 YVNWPYQKWMWJOH-SECBINFHSA-N 351.432 1.348 0 50 FDAA O=C(NCc1nc(-c2ccc(F)cc2)no1)[C@H]1CCCCn2nnnc21 299771917 ZWLZDKJHCYCWJB-LBPRGKRZSA-N 357.349 1.446 0 50 FDAA Cc1cc(C)n(CC(=O)NCCOc2cccc3cccnc23)c(=O)n1 827861813 RDQKWYTUBWWXBL-UHFFFAOYSA-N 352.394 1.604 0 50 FDAA O=C(NC[C@@H](c1ccccn1)N1CCOCC1)c1cccc2nccnc12 670444424 ICBLYGZZTAAQLY-SFHVURJKSA-N 363.421 1.828 0 50 FDAA CN(CC(=O)NCc1nc(Cc2ccccc2)no1)Cc1cccnc1 670459205 PFIUGDROLYKTJO-UHFFFAOYSA-N 351.410 1.804 0 50 FDAA NC(=O)[C@H]1CC[C@@H](C2CCN(C(=O)c3ccc4c(n3)CCCC4)CC2)O1 952888136 CYVGMGVUGRPLBM-ZWKOTPCHSA-N 357.454 1.846 0 50 FDAA N[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)NCc1cncc2c1CCC2 1875287394 IKZCIZBWAHLXAE-PMACEKPBSA-N 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O=C(O)c1cc2n(n1)CCN(Cc1csc(-c3ncccn3)n1)C2=O 1875242979 KERLFQVYZSTEMC-UHFFFAOYSA-N 356.367 1.151 0 50 FDAA CN1CCN([C@H]2CCN(C(=O)c3c(F)cccc3Cl)C[C@@H]2O)CC1 206765610 NIJDCSBVUKBCOX-GJZGRUSLSA-N 355.841 1.302 0 50 FDAA Cc1nn(C)c2ncc(S(=O)(=O)N(C)Cc3cn4c(n3)CCCC4)cc12 328640145 XFGFSVRODWLCDJ-UHFFFAOYSA-N 374.470 1.630 0 50 FDAA COc1ccccc1-c1noc(CCC(=O)N2CC[C@](C)(O)[C@H](O)C2)n1 248188224 JOTAORDYNORJBX-KDOFPFPSSA-N 361.398 1.022 0 50 FDAA CCOC(=O)c1nnn(-c2nonc2-n2cccc2)c1CN1CCCCC1 4257936 UTIGCZYAAYIDLX-UHFFFAOYSA-N 371.401 1.604 0 50 FDAA CC(C)c1c(NC(=O)c2nccnc2N)c(=O)n(-c2ccccc2)n1C 2325740182 MDQQXSVUNHSLMU-UHFFFAOYSA-N 352.398 1.924 0 50 FDAA COC(=O)[C@H](NC(=O)Cc1ccc(-n2cnnc2)cc1)C1=CC[C@@H]2C[C@@H]2C1 2325796953 KCZSOMVRNZCGIB-IDHHARJASA-N 366.421 1.824 0 50 FDAA CC(C)c1ncc(C(=O)N[C@@H]2CN(C(=O)Cc3ccsn3)C[C@@H]2C)[nH]1 2325851438 ZUNVXFIHIFWSAH-SMDDNHRTSA-N 361.471 1.809 0 50 FDAA CSCCC(=O)N1CCC[C@H](NC(=O)C(F)(F)c2cnccn2)C1 2325860917 YXPIVDIPOAPRIL-NSHDSACASA-N 358.414 1.429 0 50 FDAA C=CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)c3cc(C)no3)CC2)cc1 2325886026 WITOMSDVOCFFDL-UHFFFAOYSA-N 368.393 1.706 0 50 FDAA C=CC(=O)Nc1cccc(C(=O)N[C@@H]2CCCc3c2cnn3CCO)c1 867009204 YSUMPEGJWGMPBI-MRXNPFEDSA-N 354.410 1.807 0 50 FDAA O=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc([C@@H]2CCCO2)s1 938585 NBYULXHFBAJQMO-NSHDSACASA-N 358.379 1.624 0 50 FDAA O=C(C[C@H]1C(=O)NCCN1C(=O)c1ccccc1)Nc1ccc(F)cc1 1032753 RHWFTPWWTLKIRV-INIZCTEOSA-N 355.369 1.795 0 50 FDAA CC(C)[C@H](O)c1nnc2ccc(C(=O)NCc3[nH]nc4ncccc34)cn12 2356144872 PPORSGYLEGEXDY-HNNXBMFYSA-N 365.397 1.620 0 50 FDAA O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)N1CCOCC1 4839777 XPPDRPOSWORPES-UHFFFAOYSA-N 358.847 1.597 0 50 FDAA CCN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(Br)cc1 4867908 IWPYXXZXFLUZQZ-UHFFFAOYSA-N 361.261 1.738 0 50 FDAA CCCNC(=O)[C@H]1CCCN(C(=O)c2c(C)nn(C)c2Br)C1 225762575 JOSVFEAXLSIZBF-NSHDSACASA-N 371.279 1.869 0 50 FDAA Cn1ccnc1CN1CCN(C(=O)Cn2ccc(=O)c3ccccc32)CC1 106028535 XSSLHOKJVFUSRE-UHFFFAOYSA-N 365.437 1.079 0 50 FDAA COc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c(OC)c1 100623576 HSLOIUWPQUOIDX-BHWMQLMCSA-N 358.394 1.673 0 50 FDAA O=C1NCCN(Cc2ccc(F)cc2Cl)[C@H]1CC(=O)N1CCCC1 55253807 OJBHEHVXSSKYNV-HNNXBMFYSA-N 353.825 1.792 0 50 FDAA CCc1nnc(NC(=O)[C@@H](C)N2CCC(O)(CN3CCCC3)CC2)s1 65407594 NRQTVWCIHRFCJJ-CYBMUJFWSA-N 367.519 1.350 0 50 FDAA O=C(c1ccc(N2CCNCC2)nc1)N1CCC(Cn2cccn2)CC1 67850562 IIANEZZVUWTFGI-UHFFFAOYSA-N 354.458 1.240 0 50 FDAA CN(Cc1nc(-c2cccnc2)no1)c1nccc(N2CCC[C@H](O)C2)n1 65429720 WOXGFNIHTILYGJ-AWEZNQCLSA-N 367.413 1.519 0 50 FDAA Cc1nn(CC(=O)N2CCC[C@@H](c3ccn[nH]3)C2)c(=O)c2ccccc12 67884568 BSMCXCMFXMCSCT-CQSZACIVSA-N 351.410 1.834 0 50 FDAA O=C1N(Cc2ccccc2F)CCC[C@@]1(O)CNCCC1(O)CCCC1 67786907 SFFQXZYMLDFZFY-HXUWFJFHSA-N 364.461 1.964 0 50 FDAA CCCS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CCc3[nH]ncc3C2)cc1 172214924 JTLCGPDMPSGIBP-OAHLLOKOSA-N 362.455 1.849 0 50 FDAA COc1ccc(OCc2nc(C(=O)N3CCC(=O)NC[C@@H]3C)co2)cc1 67920952 ZAVNJZOAEVXOBX-LBPRGKRZSA-N 359.382 1.613 0 50 FDAA 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CC(=O)N1CCC2(CC1)C[C@@H](C(=O)O)N(Cc1cc(C(C)(C)C)[nH]n1)C2 72432443 KVLAUNVDLLUSNO-HNNXBMFYSA-N 362.474 1.995 0 50 FDAA Cc1ccc(CN2CCN(C(=O)c3ccc4nnnn4c3)CC2=O)cc1C 77406584 TYIYIXQGPUAESX-UHFFFAOYSA-N 364.409 1.226 0 50 FDAA COc1cccc(C2(C(=O)N[C@H]3CCCN(c4ccn(C)n4)C3=O)CC2)c1 367638641 PMRAUDGDJUFJAC-INIZCTEOSA-N 368.437 1.772 0 50 FDAA COC[C@@H](NC(=O)N1CCN(CC(C)(C)O)C[C@H]1C)c1ccc(F)cc1 334082613 LTALWSYGJUFZTA-RHSMWYFYSA-N 367.465 2.000 0 50 FDAA CC1=CCN(C(=O)c2cccc(S(=O)(=O)NCCn3cccn3)c2)CC1 215270327 OAWQQQDDHCUQCY-UHFFFAOYSA-N 374.466 1.654 0 50 FDAA O=C([C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1)N1CCNCC1 71749394 CDCHZMWTBIBZRS-LJQANCHMSA-N 371.529 1.190 0 50 FDAA COc1ccccc1C(=O)N1CCN(Cc2cnc(N(C)C)nc2)CC1 72130764 ISCDUXGSWYRMPQ-UHFFFAOYSA-N 355.442 1.509 0 50 FDAA N[C@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)C1 158431214 DIFJPZWRDGAXCC-IRXDYDNUSA-N 359.470 1.644 0 50 FDAA CCNC(=O)[C@H]1CCN(c2nc(-c3ccco3)nc3c2CCNCC3)C1 72477770 UIHRVYORCJLEST-ZDUSSCGKSA-N 355.442 1.387 0 50 FDAA Cc1nonc1CC(=O)N1CCc2[nH]c(-c3cccc(CO)c3)nc2C1 220664370 CFUVFBRFAOTRRQ-UHFFFAOYSA-N 353.382 1.388 0 50 FDAA COCC1(C(=O)N2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)CCC1 223845345 VIIBVZXBNQSRJY-QGZVFWFLSA-N 373.457 1.247 0 50 FDAA Cc1nc([C@@H]2CCCN2C(=O)CCCn2cnc3ccccc3c2=O)n[nH]1 221324164 QPCZRKDZJKVQKU-INIZCTEOSA-N 366.425 1.967 0 50 FDAA CN(Cc1nc(-c2ccncc2)no1)C(=O)NCCN1CCCOC1=O 426690333 RBQQOUNQBZFTQO-UHFFFAOYSA-N 360.374 1.115 0 50 FDAA Cc1cc(C(F)(F)F)n2ncc(C(=O)N[C@@H](C)Cn3cncn3)c2n1 426711241 HAFQUCOJRKMDQK-VIFPVBQESA-N 353.308 1.467 0 50 FDAA Cc1nnc(SCCNC(=O)Cn2ccc([C@@H]3CCCNC3)n2)s1 426538098 NDRZDRSUEQOTRE-GFCCVEGCSA-N 366.516 1.419 0 50 FDAA Cn1cc(C(=O)N2CC[C@]3(CCCN(C4CCCC4)C3=O)C2)ccc1=O 91950890 KAITZZLSKYOQMH-HXUWFJFHSA-N 357.454 1.783 0 50 FDAA CNc1ncc(CN(C)C(=O)Cn2nc(C)c3ccccc3c2=O)cn1 92097284 SMGSSACOYDWSSP-UHFFFAOYSA-N 352.398 1.195 0 50 FDAA CN(C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(CO)o2)C1 95383499 CUUMWZRZSQDPPI-OAHLLOKOSA-N 360.458 1.940 0 50 FDAA COc1ccc(F)c(CN2CCC3(CCC(=O)N(CC(N)=O)C3)CC2)c1 91745515 OAFTWSWAWGNSKP-UHFFFAOYSA-N 363.433 1.524 0 50 FDAA COc1ccc2c(c1)OC[C@H](Cc1cc(N)nc(N3CCOCC3)n1)C2 91858954 FKQSFAWLDSFGKZ-ZDUSSCGKSA-N 356.426 1.698 0 50 FDAA Cc1ccc(CN2CCC(CN(C)C(=O)[C@H]3NCCc4[nH]cnc43)CC2)o1 95519185 UXDHNQOIXNZVLS-IBGZPJMESA-N 371.485 1.869 0 50 FDAA O[C@H]1CCN(c2ccnc(N3CCC(OCc4cccnc4)CC3)n2)C1 96150839 FTHJDJVSPHFRIW-INIZCTEOSA-N 355.442 1.628 0 50 FDAA Cc1ccnn1CC(=O)N1CCC(c2nccn2CCCN(C)C)CC1 95370153 IQUGLSDUNQBVKO-UHFFFAOYSA-N 358.490 1.746 0 50 FDAA CN(C)C1(Cn2cc(-c3cnc(N4CCOCC4)nc3)nn2)CCCC1 91620126 HDYFHTZJBXYUIN-UHFFFAOYSA-N 357.462 1.446 0 50 FDAA CSc1nccc(N2CCC(NCCc3nc(C)cc(=O)[nH]3)CC2)n1 95362436 UKDZOMSQAGFFEO-UHFFFAOYSA-N 360.487 1.391 0 50 FDAA CNC(=O)c1ccc(NC(=O)N(CCOC)Cc2cnn(C)c2)c(C)c1 97522458 UFLXHJSZIZQDIK-UHFFFAOYSA-N 359.430 1.769 0 50 FDAA CCn1c(CO)nnc1[C@H]1C[C@H](NS(=O)(=O)c2cc(C)sc2C)C1 244742121 OCECQZOCJYALNB-HAQNSBGRSA-N 370.500 1.693 0 50 FDAA CC(=O)c1cc(CN2CCCN(S(=O)(=O)N3CCCC3)CC2)cs1 244764023 OZZAKMMXNSZKDY-UHFFFAOYSA-N 371.528 1.799 0 50 FDAA CN1CCN(CCOc2ccccc2CN2CCCC[C@@H]2C(=O)O)CC1 244858409 VKSOPPXVYBJQMI-GOSISDBHSA-N 361.486 1.752 0 50 FDAA Cc1cc(N2CCC[C@@H](NC(=O)CC(C)(C)CC(=O)O)C2=O)n(C)n1 299739307 NFDDJGQTXHYQGB-GFCCVEGCSA-N 350.419 1.231 0 50 FDAA COc1ccccc1N1C[C@@H](C(=O)NCc2cc(C(=O)O)c(C)o2)CC1=O 299753124 WXFNJTADWJIEES-LBPRGKRZSA-N 372.377 1.964 0 50 FDAA O=C(O)CN(Cc1ccccc1)C(=O)[C@H]1CC12CCS(=O)(=O)CC2 263286236 POXMQSUBIKUPGU-CQSZACIVSA-N 351.424 1.315 0 50 FDAA O=C(NCc1noc([C@@H]2CCCO2)n1)N1CCN(c2ccccn2)CC1 534633663 KIASFXRCZFOLNQ-ZDUSSCGKSA-N 358.402 1.348 0 50 FDAA Cc1nn(CC(N)=O)c(C)c1-c1ccc(C(=O)N2CCC[C@H]2CO)cc1 534659747 VZYUNHNKEMYMAC-INIZCTEOSA-N 356.426 1.249 0 50 FDAA CN[C@@H](C)C(=O)N1CCC2(CCc3c(O)nc(-c4cccnc4)nc32)CC1 1940196442 MAZWUQVYZUSPDT-ZDUSSCGKSA-N 367.453 1.659 0 50 FDAA O=C(N=c1nc2nccc(-c3ccccn3)n2[nH]1)[C@H]1COc2ccccc2C1 1940197273 DYXQYWVYNDBABG-CQSZACIVSA-N 372.388 1.798 0 50 FDAA CC(=O)N1CCCN(C(=O)Nc2ccc3c(c2)N(C)C(=O)[C@H](C)O3)CC1 299772268 UNCTVACJQKMFMJ-LBPRGKRZSA-N 360.414 1.516 0 50 FDAA Cc1nnsc1CN(C)CC(=O)Nc1nnc([C@@H]2CCCO2)s1 299785058 QGJUOQFCNKWKGV-VIFPVBQESA-N 354.461 1.620 0 50 FDAA CSCC[C@H](N)C(=O)N1CCc2[nH]c(-c3ccc(C(=O)O)cc3)nc2C1 299786964 SDCWEPFTYZNAAY-ZDUSSCGKSA-N 374.466 1.740 0 50 FDAA C[C@@H](Cc1cnccn1)NC(=O)c1cccc(-c2n[nH]c(N(C)C)n2)c1 299764782 LHQXAVUVZRVHMS-LBPRGKRZSA-N 351.414 1.689 0 50 FDAA COCC(=O)N1CC[C@@H](Nc2nc(-c3ccc(F)cc3)cs2)[C@H](O)C1 299802359 LAOXEQAGVGBZMO-UKRRQHHQSA-N 365.430 1.969 0 50 FDAA COc1cccc(F)c1C(=O)N1CCCO[C@@H](CN2CCOCC2)C1 299788173 SEYKBJAFFUKXTB-AWEZNQCLSA-N 352.406 1.398 0 50 FDAA COc1cccc2c1OC[C@H](NC(=O)c1cccc(-n3cnnc3)n1)C2 824804779 MBGWUFRDNVWUOA-CYBMUJFWSA-N 351.366 1.404 0 50 FDAA COc1cccc2c1OC[C@H](NC(=O)c1cc(=O)n(-c3ccccc3)[nH]1)C2 670471692 PQOZCZGRVXJWHE-CQSZACIVSA-N 365.389 1.908 0 50 FDAA NC1CCC2(CC1)C[C@H]2C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 1875278005 SMVDVUBKQFVQMH-LSNYBQGISA-N 357.498 1.429 0 50 FDAA C=CC(=O)NC[C@@H](NC(=O)Cn1nnnc1C)c1ccc2ccccc2c1 1875386698 WXDXTNYXFILWEF-QGZVFWFLSA-N 364.409 1.294 0 50 FDAA O=C(Cc1nccs1)N[C@@H](CNC(=O)[C@H]1CC=CCO1)C1CCCC1 1875344398 JJKJWOANIMRMLQ-LSDHHAIUSA-N 363.483 1.822 0 50 FDAA Cn1c(O)nnc1[C@@H]1[C@H](C2CC2)CCN1C(=O)c1occ2c1CCOC2 1875401546 KZQXASMKENNFCH-JSGCOSHPSA-N 358.398 1.800 0 50 FDAA CCN1C(=O)C[C@@H](CNc2ncnc3c2cnn3C)[C@@H]1c1cccnc1 886031135 UYRAOOGRTPFZRL-BBRMVZONSA-N 351.414 1.780 0 50 FDAA COc1cccc(Cl)c1CNC(=O)CN1CCCC[C@@H](OC)C1=O 886088168 LNAFHRBEYQGBAY-OAHLLOKOSA-N 354.834 1.992 0 50 FDAA CCc1cccc(C(=O)NC[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)n1 886081949 JZMBWHTWFSHSQS-ACJLOTCBSA-N 355.442 1.717 0 50 FDAA CC(=O)N1C[C@@H](NC(=O)c2ncncc2Cl)CC[C@@H]1C(F)(F)F 886027690 DRUXOICDOUWMEC-WCBMZHEXSA-N 350.728 1.802 0 50 FDAA O=C(c1c[nH]nc1[C@H]1CCNC1)N1CC[C@H](n2ncc3ccccc32)C1 888101479 BRAMBVNWLLIKJD-GJZGRUSLSA-N 350.426 1.924 0 50 FDAA CC(=O)N[C@H]1CN(C(=O)Cc2c(C)nc(C)nc2O)C[C@@H]1c1ccc(C)o1 1565512241 HLKLWZKUQPBHBC-HOTGVXAUSA-N 372.425 1.374 0 50 FDAA Cc1c(CN2CCN(Cc3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cnn1C 1565505588 ZYLWHWKQLOYWIS-RBUKOAKNSA-N 374.510 1.212 0 50 FDAA C[C@@H](Cn1cc(Br)cn1)N[C@H]1CCO[C@@H]1c1nccn1C 275642124 TUZUPNIEJAYPCF-DRZSPHRISA-N 354.252 1.887 0 50 FDAA O=C([C@@H]1C[C@]12CCCc1ccccc12)N1CCC[C@H](N2CCNCC2=O)C1 186668222 JMNFWJCGCAGNIF-JLMWRMLUSA-N 367.493 1.703 0 50 FDAA CN1CCN(C(=O)Cc2cccc(NCc3cn(C(C)(C)C)nn3)c2)CC1 191444673 QXCGEKMQIPEQJO-UHFFFAOYSA-N 370.501 1.962 0 50 FDAA C[C@@H](CN1CCc2ccccc2C1)Nc1nc2c(c(O)nc(=O)n2C)n1C 1529144147 OFOGWHTZESDHPS-LBPRGKRZSA-N 368.441 1.231 0 50 FDAA O=C1CO[C@H](C(=O)N2CCN(CC3CCCC3)CC2)[C@@H](c2ccccc2)N1 1529186511 GTOWRVOHNVTVEL-UXHICEINSA-N 371.481 1.577 0 50 FDAA COc1ccc(/C=C(\NC(=O)c2ccco2)C(=O)N2CCOCC2)cc1 12656622 FWGPNDLKWMSCMC-SSZFMOIBSA-N 356.378 1.918 0 50 FDAA CCN1CCC[C@@H]1CN(CC1CCN(CCOC)CC1)C(=O)CCOC 12715297 AQRPVNOXERLWEW-LJQANCHMSA-N 369.550 1.694 0 50 FDAA COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CNC2CCC2)c1 12745070 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Cc1nc(O)nc(C)c1CCC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1704313416 MRTNQXSTFRZYGZ-NVXWUHKLSA-N 356.426 1.501 0 50 FDAA COc1ccnc(C(=O)N2CCCN(Cc3noc(C(C)C)n3)CC2)c1 1704354366 CSFFSQDMHMAKHE-UHFFFAOYSA-N 359.430 1.945 0 50 FDAA O=C(CCc1ccc2c(c1)OCO2)N1C[C@H](Cc2ccncc2)[C@@H](O)C1 1615738261 VNSLTOPJHYARPL-IRXDYDNUSA-N 354.406 1.805 0 50 FDAA COc1ccccc1-n1cc([C@@H](C)NC(=O)c2cnc(C(N)=O)cn2)cn1 1772701082 IIMXZFYAZXKASS-LLVKDONJSA-N 366.381 1.261 0 50 FDAA O=C(Cc1cccc(Cl)c1)N1CCCN(CCN2CCOCC2)CC1 1772702518 SKOZSMYAMXFTRO-UHFFFAOYSA-N 365.905 1.749 0 50 FDAA Cc1n[nH]c(CNC[C@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)n1 15075281 ZZFAXRBQDQVNIG-QGZVFWFLSA-N 365.384 1.035 0 50 FDAA Cc1nc(-c2cccc(C(=O)N3CC[C@@]45OCCN4C(=O)C[C@@H]35)c2)no1 1857720129 GBJMAQHBAHROMX-KDOFPFPSSA-N 354.366 1.218 0 50 FDAA CNC(=O)CN(C)C(=O)[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857729655 GBYNYFMUDMHSGN-NSHDSACASA-N 364.833 1.902 0 50 FDAA CCOc1ccccc1N1CCN(C(=O)[C@H]2CC[C@@H](OC)[C@H](N)C2)CC1 1857738500 KTZRUWZCTARKFQ-LZLYRXPVSA-N 361.486 1.876 0 50 FDAA Cc1cccc(-c2ncc(CN3C[C@@H]4C(=O)NC[C@]4(C(=O)O)C3)cn2)c1 216990126 OHPVKFITGXKPPN-BEFAXECRSA-N 352.394 1.085 0 50 FDAA COc1ccc(-c2n[nH]cc2C(=O)N2CCN([C@H]3CCOC3)CC2)cc1 363932842 GZPCIXRJRUSUCE-HNNXBMFYSA-N 356.426 1.632 0 50 FDAA Cc1ccc(C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c(O)n1 377114859 VGWWSWCYNIIPFL-ZIAGYGMSSA-N 367.405 1.745 0 50 FDAA Cc1noc([C@@H]2COCCN2C(=O)CNC(=O)c2cccc(Cl)c2)n1 158926868 JBPRJAPFXVXYAK-ZDUSSCGKSA-N 364.789 1.361 0 50 FDAA CNC(=O)c1cc(S(=O)(=O)N[C@@H]2CCOc3ccc(F)cc32)cn1C 264551926 DLHMJXJLOBWZTQ-CYBMUJFWSA-N 367.402 1.326 0 50 FDAA NC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2ccccc2F)cc1 1162703 GXRLWAAFJNSHHQ-UHFFFAOYSA-N 372.385 1.631 0 50 FDAA CC(C)[C@H](O)c1nnc2ccc(-c3nc(CC(N)=O)nn3C(C)(C)C)cn12 2100534675 SYPJXGHQIVJRRC-HNNXBMFYSA-N 371.445 1.460 0 50 FDAA CN1CC[C@@H](O)[C@H](C(=O)N2CCC(c3nnc4n3CCCCC4)CC2)C1 2100557505 WFZYEQVLSDYHAY-HZPDHXFCSA-N 361.490 1.023 0 50 FDAA COc1ccc(N(CC(N)=O)S(=O)(=O)c2ccccc2)cc1OC 655147 KMAYDDXBDXUJQI-UHFFFAOYSA-N 350.396 1.384 0 50 FDAA CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccccn2)cc1 798607 JCFCCPRRLKDXHH-UHFFFAOYSA-N 363.439 1.464 0 50 FDAA COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C)CC2)cc1C 1061552 QDRBASMZFCASEL-UHFFFAOYSA-N 354.472 1.883 0 50 FDAA CC1=CC2(CCN(C(=O)CNS(=O)(=O)c3cccs3)CC2)OCC1 2356136167 IWJRXOGAAANYHX-UHFFFAOYSA-N 370.496 1.754 0 50 FDAA CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(O)ccc3nc2-1 3979155 HAWSQZCWOQZXHI-FQEVSTJZSA-N 364.357 1.785 0 50 FDAA biogenic,investigational COc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c(OC)c1 100623574 HSLOIUWPQUOIDX-NXKWAJLKSA-N 358.394 1.673 0 50 FDAA NC(=O)COc1ccccc1CN1CCN(Cc2ccco2)[C@@H](CCO)C1 105982200 FAFNGZSTJMJFBF-KRWDZBQOSA-N 373.453 1.213 0 50 FDAA O=C(Nc1ccc(Cc2nnn[nH]2)cc1)[C@H]1CC(=O)N(Cc2ccco2)C1 135558169 WZGURSARDPFERH-ZDUSSCGKSA-N 366.381 1.371 0 50 FDAA CN1CCN(C)C2(CCN(C(=O)c3ccc4cccnc4c3O)CC2)C1 67514608 BFAOPIKMKOHQLW-UHFFFAOYSA-N 354.454 1.792 0 50 FDAA CS(=O)(=O)N1CCC(C(=O)NCCSCc2ccccc2F)CC1 65364286 FDPJTCALMHQAAK-UHFFFAOYSA-N 374.503 1.847 0 50 FDAA O=C1CN(Cc2cn(C[C@H]3CCCN(Cc4ccccc4)C3)nn2)CCN1 23505337 XOYQSPGJLZMEFH-SFHVURJKSA-N 368.485 1.122 0 50 FDAA CCn1c([C@@H]2CCCN(Cc3ccncc3)C2)nn(CCN(C)C)c1=O 67840737 MZVOUNFDGHUOFN-QGZVFWFLSA-N 358.490 1.401 0 50 FDAA O=C(Cn1cc2ccccc2n1)N1CCn2c(nnc2C(F)(F)F)C1 330146121 LICJHVQNDIDFQO-UHFFFAOYSA-N 350.304 1.689 0 50 FDAA CC(C)(CN1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1)N1CCOCC1 65384233 KNJFHLGZPZUVGJ-DLBZAZTESA-N 362.470 1.676 0 50 FDAA CC[C@@]1(C(=O)O)C[C@H](C(=O)N(C)CCO)[C@H](c2ccc(F)cc2)N1C 67804918 VLLDUVOQEYQSDP-MPGHIAIKSA-N 352.406 1.503 0 50 FDAA O=C(NC[C@H]1CCCO1)c1cc(COc2ccc(-n3cncn3)cc2)on1 67983449 YWTRPWFJKWGDAY-OAHLLOKOSA-N 369.381 1.743 0 50 FDAA CCN(C(=O)c1cc(COc2ccccc2OC)[nH]n1)[C@H]1COC[C@@H]1O 67756804 IEFOONOWWBJGRU-GJZGRUSLSA-N 361.398 1.219 0 50 FDAA C[C@H]1OCC[C@]1(O)CNS(=O)(=O)c1ccccc1OC(F)(F)F 324304746 QBTMYICAJSCSDO-SKDRFNHKSA-N 355.334 1.403 0 50 FDAA O=C(c1ccco1)N1CCN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 72434562 ZDIYMHGQXDFDJM-CVEARBPZSA-N 360.435 1.403 0 50 FDAA Cc1ccc(O[C@@H]2CCN(S(=O)(=O)c3c(C)nn(C)c3Cl)C2)cn1 328625562 KWJXWQTVBUATPW-CYBMUJFWSA-N 370.862 1.927 0 50 FDAA Cc1nc(CCC(=O)N2CCC[C@@]3(CCC(=O)N(CC4CC4)C3)C2)n[nH]1 77505570 UUKFHPXGDJMZSV-LJQANCHMSA-N 359.474 1.687 0 50 FDAA NCCn1cc(C(=O)N2CCC(COc3ccc4c(c3)CCC4)CC2)nn1 77564430 SGEBSDCFTAIEGP-UHFFFAOYSA-N 369.469 1.657 0 50 FDAA Cn1c(CN2CCOCC2)nnc1C1CCN(C(=O)c2ccncc2)CC1 77354465 YVCULSGFRLKUGJ-UHFFFAOYSA-N 370.457 1.062 0 50 FDAA Cn1nccc1[C@H]1OCC[C@@H]1NC(=O)c1cn(C)c(=O)c2ccccc12 285407915 HBSHEACBNVEXTO-RDJZCZTQSA-N 352.394 1.532 0 50 FDAA CN(CCc1cn[nH]c1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CC(C)(C)C)C(=O)[C@H]13)O2 77340303 TXIBKXPZMWCLQA-QOIOWGMHSA-N 372.469 1.239 0 50 FDAA C[C@H]1OCCN(CCc2nc(-c3ccc(Cl)cc3)no2)[C@@H]1C(N)=O 285280917 UCYYXIOPUBXKCQ-YGRLFVJLSA-N 350.806 1.507 0 50 FDAA C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NCCCc1nnc2ccccn12 222437961 XSGBPWCFNWDFPD-ZDUSSCGKSA-N 368.393 1.974 0 50 FDAA CNS(=O)(=O)N1CCC(C(=O)NC[C@H](c2cccnc2)C(C)C)CC1 287673652 VXDLMEFBXQFFKT-INIZCTEOSA-N 368.503 1.114 0 50 FDAA CCN1CCC[C@H](CN2CCCn3nc(CNC(=O)N(C)C)cc3C2)C1 82166924 KWQGXAZTJSUIAU-INIZCTEOSA-N 362.522 1.592 0 50 FDAA O=C1NC[C@@]2(CCCN(C(=O)NCc3nc(-c4ccccn4)no3)CC2)O1 426593883 VIFRDAOJKCLJKP-KRWDZBQOSA-N 372.385 1.306 0 50 FDAA CC(=O)c1c(C)nn(CC(=O)NCCn2ncc3ccccc3c2=O)c1C 222499580 VHMVLDNPKCVDJT-UHFFFAOYSA-N 367.409 1.229 0 50 FDAA CC(C)Cc1cc(C(=O)N2CCC(c3nccn3CC(N)=O)CC2)on1 95504631 QGYGDHVWAMAOAT-UHFFFAOYSA-N 359.430 1.575 0 50 FDAA O=C1CN(c2ccc(C(=O)NCCc3nc4c(s3)CCC4)cc2)C(=O)N1 91943951 BQIRZVCUGKYIDK-UHFFFAOYSA-N 370.434 1.661 0 50 FDAA COc1nc2c(cc1C(=O)N1Cc3ccccc3C[C@@H]1C(N)=O)CCC2 91434447 UTJMPBMYDNSCRT-QGZVFWFLSA-N 351.406 1.631 0 50 FDAA COc1ccc2c(c1)CCN(C(=O)Cn1ncc(N3CCCC3)cc1=O)C2 95501084 FZQMOHUNZAIEEO-UHFFFAOYSA-N 368.437 1.437 0 50 FDAA COc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3=O)ccn1 95503289 GQMMIFNEYTWBPC-DOTOQJQBSA-N 366.421 1.748 0 50 FDAA CC(C)N1CCC[C@H](C(=O)N2CCc3c(nc(CC4CC4)[nH]c3=O)C2)C1 95527154 XAOBWVPYZTXOTP-HNNXBMFYSA-N 358.486 1.728 0 50 FDAA Cc1cnc(C(=O)N2CCC(c3nccn3CCCN(C)C)CC2)cn1 95368461 ALDJNJJPJWQPNF-UHFFFAOYSA-N 356.474 1.953 0 50 FDAA Cc1c(NC(=O)N2CCN(S(C)(=O)=O)CC2)cccc1N1CCCC1 96140202 IKZVIBAHJOMEEZ-UHFFFAOYSA-N 366.487 1.704 0 50 FDAA CN(C)CCn1ccnc1[C@H]1CCCN(c2nnnn2-c2ccccc2)C1 95510065 DEPHGUJSDBOXNQ-INIZCTEOSA-N 366.473 1.804 0 50 FDAA O=C(O)[C@H](c1ccc2c(c1)OCO2)N1CCC(O)(c2cccnc2)CC1 95359669 HAARYNZYRCIEPI-KRWDZBQOSA-N 356.378 1.920 0 50 FDAA CCN1C[C@@H](C(=O)N2CCc3[nH]c(-c4cccc(OC)c4)nc3C2)CC1=O 96139434 RHQPTDRUJALAFA-AWEZNQCLSA-N 368.437 1.838 0 50 FDAA CN(C)C(=O)N1CCC(C(=O)N[C@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)CC1 244853032 VEBZDGXLZFNDGN-GUDVDZBRSA-N 373.497 1.878 0 50 FDAA O=C(NCCNC(=O)[C@@H]1CCCC[C@H]1C(=O)O)[C@H]1CCCC[C@H]1C(=O)O 245232638 YXNBHSFRFDRSLQ-XJFOESAGSA-N 368.430 1.001 0 50 FDAA CS(=O)(=O)N1CCCN(Cc2ccc3c4c(cccc24)C(=O)OC3)CC1 244873557 WSBJRIDCRXWJPR-UHFFFAOYSA-N 374.462 1.978 0 50 FDAA CCn1c(CN2CCC(C(=O)N3CCCCC3)CC2)nnc1[C@H]1C[C@@H](N)C1 244787657 QBBHKDJCZVUKBC-CALCHBBNSA-N 374.533 1.727 0 50 FDAA COCc1nnc(NC(=O)CN2CCC[C@H](c3noc(C)n3)C2)s1 244774155 POUBYDILYYLIJH-JTQLQIEISA-N 352.420 1.194 0 50 FDAA CCc1nc(CCNC(=O)C2CCN(C(=O)c3ccncc3)CC2)no1 244678622 IHAVNKNDFLVYSO-UHFFFAOYSA-N 357.414 1.238 0 50 FDAA CNC[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)C1 299740430 ZRVWBXMUZPIRCJ-UONOGXRCSA-N 361.442 1.125 0 50 FDAA CCN1CCC[C@H]1CNC(=O)c1c(C)cc(C)n(C[C@H]2CCCO2)c1=O 252516998 YQJIVXPONLYOSF-DLBZAZTESA-N 361.486 1.858 0 50 FDAA Cc1cccc(C)c1NC(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C 1940198141 QCLFFDCXEHPRJU-KBPBESRZSA-N 355.460 1.331 0 50 FDAA CNc1cc(C(=O)N[C@@H]2CCN(Cc3c(C)noc3C)C[C@H]2O)ccn1 299789077 VMJGRXLSRFUZOM-HZPDHXFCSA-N 359.430 1.093 0 50 FDAA COc1cc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)cc(OC)c1OC 299780294 PSPBPYRSRKWXGR-UONOGXRCSA-N 374.397 1.290 0 50 FDAA Cn1cc([C@@H]2CN(C(=O)C3(c4ccccc4)CC3)C[C@@H]2CC(=O)O)nn1 299772078 XNFNOTPQGAEXJJ-DZGCQCFKSA-N 354.410 1.564 0 50 FDAA O=C(N[C@H]1CCCN(C(=O)c2ccco2)C1)c1ccc(-n2cnnc2)cc1 828161261 VWMCCPGGTIGAPS-HNNXBMFYSA-N 365.393 1.895 0 50 FDAA O=C(c1ccc(-n2cccc2)nc1)N1CCO[C@@H](CN2CCOCC2)C1 870067710 VXMXOLFXHQYNBM-KRWDZBQOSA-N 356.426 1.046 0 50 FDAA CN(C[C@H](O)CN1CCC(c2nccc(N3CCCC3)n2)CC1)C1CC1 952891439 DSBWPWBXPLXPTL-SFHVURJKSA-N 359.518 1.711 0 50 FDAA CCc1ccc(CC(=O)N2CCC(C[C@H]3OCC[C@H]3C(N)=O)CC2)nc1 952886279 LMANWCYIILXQJH-QZTJIDSGSA-N 359.470 1.706 0 50 FDAA O=C(NN1CCN(CC(F)(F)F)C1=O)c1cnn(-c2cccnc2)c1 1875265145 OXNUSJMQGNGTOP-UHFFFAOYSA-N 354.292 1.212 0 50 FDAA COc1cccc(C)c1NC(=O)Cn1nc(C(N)=O)c2ccccc2c1=O 1875264342 KOLNXRQOMMLMRR-UHFFFAOYSA-N 366.377 1.451 0 50 FDAA O=C(CCc1ccc2c(c1)COCC2)N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O 1875403018 OXGLLQPUNZSFAR-NSISKUIASA-N 369.465 1.844 0 50 FDAA NC(=O)CN1CCC[C@@H](C(=O)N[C@@H](CCn2ccnc2)c2ccccc2)C1 952975010 XTALEJSAGAVGJL-MSOLQXFVSA-N 369.469 1.328 0 50 FDAA Cc1cc(C(=O)NCC2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)c(C)o1 952971879 VWHHWPQLJMXXOR-UHFFFAOYSA-N 374.441 1.473 0 50 FDAA COc1cc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)cc(C)n1 886038229 LIQZDNHANCEQJP-XJKSGUPXSA-N 357.414 1.082 0 50 FDAA Cc1ccc(CNC(=O)CN2CCC[C@@](O)(Cc3nc(C)no3)C2)cc1 888076762 AGFYDZMBIMQMAN-LJQANCHMSA-N 358.442 1.372 0 50 FDAA Cc1cc(C2CCC2)nc(N2CC[C@H](NC(=O)c3cnccn3)[C@@H](O)C2)n1 1565526942 XHJQOKRYJJJFAC-YOEHRIQHSA-N 368.441 1.212 0 50 FDAA O=C(Cn1nc2ccccc2n1)N1C[C@@H]2CC[C@H]1CN(c1ncccn1)C2 1565528593 QHZWGYKBTSUQEJ-CABCVRRESA-N 363.425 1.349 0 50 FDAA C[C@@H]1CCCN(Cc2csc(NC(=O)c3cccn4c(=O)[nH]nc34)n2)C1 271456439 WBBSREZSQYOBOY-LLVKDONJSA-N 372.454 1.963 0 50 FDAA Cc1cc([C@H](C)NC(=O)[C@@](C)(O)CN2C(=O)NC(C)(C)C2=O)c(C)s1 170090212 OCKXSRBHISIKLM-BTDLBPIBSA-N 367.471 1.624 0 50 FDAA Cn1nc(-c2cccs2)nc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O 279679483 KPKLJUOFVJZWGZ-UHFFFAOYSA-N 374.426 1.347 0 50 FDAA O=C(N[C@H]1CC[C@@H](C(=O)NCc2cccc(F)c2)C1)c1cc(O)nc(O)n1 1073375093 NEECIPQLWSPVBT-YPMHNXCESA-N 374.372 1.242 0 50 FDAA O=C(N[C@H](Cc1ccccc1)C(=O)O)[C@@H]1CN(Cc2ccccc2)CCO1 194928377 MGCYQIBSUVCCII-MOPGFXCFSA-N 368.433 1.700 0 50 FDAA Cc1oc(-c2cc[nH]n2)cc1S(=O)(=O)N(C[C@@H]1CCC(=O)N1)C(C)C 1506428665 RPPUAWYABLBQHC-LBPRGKRZSA-N 366.443 1.656 0 50 FDAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NCCCn2ccnc2)OCC(=O)N1C 1529187037 OHOAZVAKLNSOMI-MSOLQXFVSA-N 356.426 1.296 0 50 FDAA O=C(c1cncc(NCCn2ncc3ccccc3c2=O)n1)N1CCCC1 1704353508 YYTIRLHHQGOBHB-UHFFFAOYSA-N 364.409 1.535 0 50 FDAA O=C(CN1C[C@@H](O)[C@H](Cc2ccncc2)C1)N1CCOc2ccccc21 1704298578 JNHCPPLPIZKWCS-SJLPKXTDSA-N 353.422 1.342 0 50 FDAA COCCN1C[C@@H]2CC[C@H]1CN(C(=O)CSc1nnc(C)s1)C2 216467792 GXCAYZFCDGITOK-STQMWFEESA-N 356.517 1.508 0 50 FDAA NCCN1C(=O)CC[C@@H]2CN(Cc3cnn(-c4ccccc4)c3)CC[C@@H]21 216816092 VLCSFXYVVPODEJ-MJGOQNOKSA-N 353.470 1.644 0 50 FDAA CSc1ccccc1C(=O)N1CC[C@H](NC(=O)c2ccncc2)[C@@H](O)C1 216926548 AHZMXCSWQFFHDV-HOTGVXAUSA-N 371.462 1.809 0 50 FDAA NCCN1C(=O)CC[C@@H]2CN(Cc3ccc(-n4cccn4)cc3)CC[C@@H]21 216909296 HKNYZWHZSOFLAR-MJGOQNOKSA-N 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1857669309 XJGOZBFNZQPCFL-OXJNMPFZSA-N 358.438 1.714 0 50 FDAA Cc1c(C(=O)NC[C@@H](c2ccccn2)N2CCOCC2)nc2ccccn12 1857698187 HBKCZLCUBRRHGT-KRWDZBQOSA-N 365.437 1.841 0 50 FDAA CC(C)[C@H]1CN2C[C@@H](NC(=O)c3ccc(N(C)CCO)cc3)C[C@H]2CO1 1857713878 VNYCSEXXLZUWNO-YTQUADARSA-N 361.486 1.343 0 50 FDAA COc1ccccc1-n1cc(C(=O)N2CC[C@@]34OCCN3C(=O)C[C@@H]24)cn1 1857729565 DWMIEQPPTITRSG-APWZRJJASA-N 368.393 1.054 0 50 FDAA COc1cc(C)ccc1C(=O)NC[C@H]1[C@H]2CN(CC(=O)O)C[C@]23CC[C@H]1O3 1857737511 PZMVWSIQCBSTJS-QCBUCWTNSA-N 374.437 1.297 0 50 FDAA CCNc1ncc(C(=O)N2C[C@H](c3cccc(OC)c3)[C@@H](C(=O)O)C2)cn1 225394590 QSFLDBOFUXDWRP-CVEARBPZSA-N 370.409 1.857 0 50 FDAA CO[C@H]1C[C@@H](CO)N(Cc2csc(-c3c(C)c(C)nn(C)c3=O)n2)C1 328923414 CXNXGDCJTYSUHW-KBPBESRZSA-N 364.471 1.102 0 50 FDAA CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@](F)(CO)C2)c1 802339970 YNZRUICRSWDNGH-QGZVFWFLSA-N 372.462 1.572 0 50 FDAA O=C1N[C@@H]2COC[C@H]1CN(c1nc3c(c(C(F)(F)F)n1)CCCC3)C2 1704324614 BDTDZWBARXIISU-ZJUUUORDSA-N 356.348 1.325 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1ccc(-n2ccnc2)cc1 2325785483 ASNIULXKJAZXGM-ZTFGCOKTSA-N 351.410 1.638 0 50 FDAA CC(=O)N(C)CC(=O)N1CCC[C@H](NC(=O)CC2CC(F)(F)C2)[C@@H]1C 2325794032 OUWROPDDNLAQJU-FZMZJTMJSA-N 359.417 1.396 0 50 FDAA Cc1nc2c([nH]1)[C@H](C(=O)NCc1cc(=O)n(-c3ccccc3)n1C)CCC2 2325806398 QHKOLMWHCQCMPN-MRXNPFEDSA-N 365.437 1.944 0 50 FDAA COC(=O)[C@H]1CN(S(=O)(=O)N2CCCC2(C)C)Cc2ccccc21 2325819103 RPQDAYKWYCPWBT-HNNXBMFYSA-N 352.456 1.878 0 50 FDAA Cc1nc(C)c(CC(=O)N2CCC[C@]3(CCc4cnc(C)nc43)C2)c(O)n1 2356142870 LGXDSNHGPVRUKZ-FQEVSTJZSA-N 367.453 1.947 0 50 FDAA CC(C)NS(=O)(=O)[C@H]1CCN([C@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)C1 134362606 CSAMYHAUDVLMLD-QXSJWSMHSA-N 359.536 1.282 0 50 FDAA COc1ccc(OC)c(N([C@H](C)C(=O)N2CCCCC2)S(C)(=O)=O)c1 65364977 ZNCWITMBSDCQGM-CYBMUJFWSA-N 370.471 1.871 0 50 FDAA CNC(=O)c1cc(NC(=O)NC[C@H]2CCN(CCOC)C2)ccc1Cl 68545714 YHQFOJURHSYLRY-GFCCVEGCSA-N 368.865 1.789 0 50 FDAA CC(C)(C)NC(=O)CN1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 252495556 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O=C1NCC2(CCN(C(=O)c3ccc(CSc4nnc[nH]4)o3)CC2)O1 252488698 IXEDMTMRLLLJFB-UHFFFAOYSA-N 363.399 1.405 0 50 FDAA CC(C)[C@@H](NC(=O)CCc1nnc(O)nc1O)c1nc2ccccc2[nH]1 252486705 HOVFSMSUBDNHQQ-CQSZACIVSA-N 356.386 1.605 0 50 FDAA Cc1nc(SCCNC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)n[nH]1 534585531 PCHDJHITUBZGKG-UHFFFAOYSA-N 362.415 1.382 0 50 FDAA CCOC(CN(CCc1ccccc1)C(=O)[C@@H](N)CC(=O)OC)OCC 261508060 PHQXVRLUEJEYRM-INIZCTEOSA-N 366.458 1.347 0 50 FDAA CC(C)C(=O)N1CCn2nc(CNC(=O)N(C)Cc3cccnc3)cc2C1 534669402 HHYYVRAZDPPWHF-UHFFFAOYSA-N 370.457 1.618 0 50 FDAA CC(C)Nc1ncc(CN2C[C@@H](c3cn(C)nn3)[C@@H](CC(=O)O)C2)cn1 299766947 FDEHQSWOSGSXPC-UONOGXRCSA-N 359.434 1.116 0 50 FDAA Cc1nnc(SCCNC(=O)[C@@H]2CCCCN2C(=O)C2CC2)s1 299790840 BLZBVLNDJZPWHA-LBPRGKRZSA-N 354.501 1.846 0 50 FDAA O=C(NCc1noc([C@@H]2CCCO2)n1)C1(N2CCOCC2)CCCCC1 299760651 QEZBDSSRDJYBPL-AWEZNQCLSA-N 364.446 1.572 0 50 FDAA COc1nc2c(cc1C(=O)N1CCc3nc(C)n(C)c(=O)c3CC1)CCC2 299775902 LDYCTIDAMHCRJM-UHFFFAOYSA-N 368.437 1.222 0 50 FDAA O=C(N[C@H]1CCCN(C(=O)c2ccco2)C1)c1ccccc1-n1cncn1 828184104 FEAZANZOJQYVNH-AWEZNQCLSA-N 365.393 1.895 0 50 FDAA CNC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cn1 497967526 VOJJUZMBEIQEOY-UWVGGRQHSA-N 351.350 1.293 0 50 FDAA Cc1cc(CN2CCC3(CC2)CN(C(=O)c2cccc(O)n2)CCO3)on1 828928357 KLGJKSQALMBBJV-UHFFFAOYSA-N 372.425 1.591 0 50 FDAA Nc1ncc(CN2CCOC3(CCN(C(=O)c4ccoc4)CC3)C2)s1 827590520 XJTAGZRPKXTXTA-UHFFFAOYSA-N 362.455 1.826 0 50 FDAA CCc1noc(CCNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)n1 670437706 VOBIFXURWGTMDQ-LBPRGKRZSA-N 366.443 1.145 0 50 FDAA CC1(C)SC[C@H](C(=O)NCC2(N3CCCCC3)CCCC2)NC1=O 670467545 PJUXFMKBYHUBOJ-CQSZACIVSA-N 353.532 1.912 0 50 FDAA Cn1cc(CC(=O)N2C[C@H]3CC[C@@H](C2)[C@H](C(=O)O)C3)c(C(F)(F)F)n1 1875318633 JPMFESZNHWKJDD-JBLDHEPKSA-N 359.348 1.941 0 50 FDAA CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCN[C@H](c2ccccc2)C1 1875311842 CFTXZXKESVWGOR-UAGQMJEPSA-N 350.484 1.620 0 50 FDAA Cc1nc2c(NC[C@H]3C[C@@H](C)N(C(=O)[C@@H](C)N(C)C)C3)ncnc2s1 1875326722 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1.934 0 50 FDAA Cc1cc(C(=O)N[C@H]2CCN(CCC(F)(F)C(F)F)C[C@@H]2O)no1 1565530363 IVOWQDTYXDZPKN-ONGXEEELSA-N 353.316 1.439 0 50 FDAA COc1ccc2[nH]cc(CC(=O)N3CCS(=O)(=O)CC[C@@H]3C)c2c1 277971352 SPXFORBUSRNGKU-LBPRGKRZSA-N 350.440 1.755 0 50 FDAA COc1cc(/C=C/C(=O)N[C@@H](C(C)C)C(C)(C)O)ccc1OCC(N)=O 170611476 SZGUJNKZUYZFHX-KOEDOTQGSA-N 364.442 1.484 0 50 FDAA O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCC[C@H](c2ccn[nH]2)C1 170671952 KFHXSMMSZHHCIW-ZDUSSCGKSA-N 367.409 1.209 0 50 FDAA Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)CN2CCCC2=O)C1 190535459 WEQGHOHAWBEYKO-CQSZACIVSA-N 350.488 1.354 0 50 FDAA Cc1noc(C)c1-c1ccc(S(=O)(=O)NCCc2ncnn2C)s1 1506401900 GVXGQENPFMVBSM-UHFFFAOYSA-N 367.456 1.669 0 50 FDAA Cc1ncnc(N2CCN(C(=O)c3cc(O)cc(C(=O)O)c3)CC2)c1C 1506404070 BAUNIUAXXGVHNK-UHFFFAOYSA-N 356.382 1.460 0 50 FDAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(S(=O)(=O)c1cccc(Cl)c1)C2 220038316 LTRRZPWBZKHKAZ-OCCSQVGLSA-N 372.874 1.598 0 50 FDAA COc1ccc(CNC(=O)C2CCN(CCS(C)(=O)=O)CC2)cc1 1529168180 YPOWCFLWPBQQBA-UHFFFAOYSA-N 354.472 1.068 0 50 FDAA O=C1CC[C@H](C(=O)N2CCCN(Cc3c(F)cccc3Cl)CC2)N1 1772704088 RPUDOJWKSSNLAB-OAHLLOKOSA-N 353.825 1.792 0 50 FDAA CN1CCC2(CC1)CN(C(=O)CN1C[C@@H](c3ccccc3)CC1=O)CCO2 1772816929 YHCSZANAERUVGZ-SFHVURJKSA-N 371.481 1.326 0 50 FDAA Cc1ccn(CC(=O)NC[C@H]2Cc3cc(F)cc(-c4cnccn4)c3O2)n1 11973583 FJEQMXRTXMRBSY-OAHLLOKOSA-N 367.384 1.908 0 50 FDAA COC(=O)c1c(NC(=S)NN2CCOCC2)sc2c1CCCC2 13519708 YFEVJWMPLGCKFG-UHFFFAOYSA-N 355.485 1.947 0 50 FDAA CO[C@H]1CN(c2cc[nH]c(=N)n2)C[C@H]1NCc1cn2cc(Cl)ccc2n1 1857531066 PATUKSIQCMGVRV-KGLIPLIRSA-N 373.848 1.184 0 50 FDAA NC(=O)c1ncoc1[C@H]1[C@H]2C[C@H]1N(C(=O)c1ccnc(OC3CCC3)c1)C2 1857531945 GEXNYGAJHPKXLE-LNSITVRQSA-N 368.393 1.728 0 50 FDAA CC(=O)NC[C@H]1[C@H]2CN(Cc3nc(-c4ccccc4)no3)C[C@]23CC[C@H]1O3 1857715871 MGUVKWUAGDPIDZ-TVKQPGBESA-N 368.437 1.852 0 50 FDAA O=C(O)CN1C[C@@H]2[C@H](CNC(=O)c3cc4ccccc4o3)[C@H]3CC[C@]2(C1)O3 1857718400 HVVANXZCAMARRJ-XGNBGGDFSA-N 370.405 1.727 0 50 FDAA CCc1noc(COC2CN(C(=O)C[C@H]3OC(=O)c4ccccc43)C2)n1 818664556 BIAXYCVDHXRYCI-CQSZACIVSA-N 357.366 1.661 0 50 FDAA NC[C@H]1CCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 238048116 FOYRLMCQPRPSSM-SNVBAGLBSA-N 350.216 1.854 0 50 FDAA COc1cc(C)c(S(=O)(=O)NC[C@H]2CCn3ccnc3C2)cc1OC 328625915 LCZGAKQOOKOEHM-ZDUSSCGKSA-N 365.455 1.750 0 50 FDAA CC(=O)NCc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2CO)s1 239667171 BPFIZUZIXFPBRD-MNOVXSKESA-N 350.362 1.770 0 50 FDAA O=C(CCCc1cn[nH]c1)N1C[C@H]2c3ccccc3OC[C@@]2(C(=O)O)C1 247368218 GLLKHTNVUFHDTP-KXBFYZLASA-N 355.394 1.822 0 50 FDAA CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc3c(c2)CCCN3C(C)=O)C1=O 263980095 KEIZHBJWJWVQTN-LJQANCHMSA-N 372.425 1.645 0 50 FDAA CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NS(=O)(=O)c2cn[nH]c2)C1(C)C 1875318159 OEGSEKMSKDKXMT-CMPLNLGQSA-N 358.464 1.627 0 50 FDAA O=C(Cn1cc2ccccc2n1)N1CCC(n2ccc(O)nc2=O)CC1 2325796942 IOFQWVSQMVZKLK-UHFFFAOYSA-N 353.382 1.162 0 50 FDAA Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H](N)CC(=O)O)cc1 2325851536 BJEWYZYTGSJZEY-HNNXBMFYSA-N 355.394 1.666 0 50 FDAA Cc1cn(-c2ccc(Cl)cc2)[nH]c1=NC(=O)[C@@H](N)Cc1nccn1C 2325856639 XPCIUXQFORZANL-AWEZNQCLSA-N 358.833 1.498 0 50 FDAA COc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)cc1C(=O)O 167151 ZEHAKLTWZCTNKN-UHFFFAOYSA-N 351.336 1.892 0 50 FDAA biogenic O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc2c(c1)OCO2 640113 MQYCLVOWRZKFTM-UHFFFAOYSA-N 360.347 1.199 0 50 FDAA CCOc1ncccc1C(=O)N1CCc2nc(C3CCOCC3)nn2CC1 2356134514 QFOJBSKJXMUJEH-UHFFFAOYSA-N 371.441 1.664 0 50 FDAA O[C@H](COc1ccc2c(c1)OCO2)CN1CCN(c2ccccn2)CC1 2686775 UJUYGFIKWWXXJU-HNNXBMFYSA-N 357.410 1.372 0 50 FDAA CN(C)C[C@H]1[C@@H]2CC[C@@]3(CN(C(=O)c4cccc5c4CCC5=O)C[C@@H]13)O2 2356165391 GNAVRQOPHVHTNT-IGGJEDBVSA-N 354.450 1.997 0 50 FDAA CC(=O)N(CC(=O)O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2F)CC1 461331265 GMYBFQDXCKXYHJ-OAHLLOKOSA-N 368.380 1.822 0 50 FDAA O=C([C@H]1C=CCN1)N1CCC(Cc2nnc(CO)n2-c2ccccc2)CC1 55358157 GVXQVHWKVAUMEL-QGZVFWFLSA-N 367.453 1.069 0 50 FDAA CC(C)NC(=O)[C@@H]1C[C@@H](n2cc(CN(C)C(=O)CC(C)(C)C)nn2)CN1 67909929 JREZMSBHDZGSLK-CABCVRRESA-N 364.494 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Cc1cccc(OC[C@@H](C)NC(=O)c2ccnc3c(C(N)=O)cnn23)c1 138108318 UMYBDIVQBPAGNO-GFCCVEGCSA-N 353.382 1.334 0 50 FDAA CN1CCC(N2CC[C@H](N(C)C(=O)c3nnc4ccccc4n3)C2)CC1 368149293 AKIIIIMXRHPNHW-HNNXBMFYSA-N 354.458 1.265 0 50 FDAA Cn1cc(CN2C[C@@H](O)[C@H](Oc3cnn(Cc4ccccc4)c3)C2)cn1 859387765 HFOMUSRNJIIXER-RTBURBONSA-N 353.426 1.289 0 50 FDAA O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)NCc1ccccc1 35800912 NSKYAYXQINWRJX-UHFFFAOYSA-N 373.478 1.309 0 50 FDAA Cc1cccc(N2CCN(CC(=O)N[C@H]3CC[C@H](C(=O)O)CC3)CC2)c1 2100545086 GUWHXPFDKYOFHR-QAQDUYKDSA-N 359.470 1.877 0 50 FDAA CN(C[C@H]1CCNC1)C(=O)c1cc2[nH]c(-c3ccccc3)cc(=O)n2n1 2325787693 PQPBCGAAJKLWOE-ZDUSSCGKSA-N 351.410 1.371 0 50 FDAA CCn1c(SCC(=O)c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 626217 AOSNAVZVCREIHI-UHFFFAOYSA-N 358.423 1.429 0 50 FDAA CCN1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)ccc1OC 967922 UNRHXEPDKXPRTM-ZDUSSCGKSA-N 354.472 1.703 0 50 FDAA in-man O=C(c1c[nH]nc1-c1cccc(F)c1)N1CCC[C@]2(CNCC[C@@H]2O)C1 2356143307 CEEVVXRWEUUPJU-LPHOPBHVSA-N 358.417 1.792 0 50 FDAA CCn1nc(C)c(CN(CCOC)C(=O)c2cccc3ncnn23)c1C 2356158208 FJTILTFBTAUZKT-UHFFFAOYSA-N 356.430 1.851 0 50 FDAA NC(=O)N1CCC[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)C1 56250488 YVFGYSWHOGQUHB-CQSZACIVSA-N 363.433 1.781 0 50 FDAA COc1nc2c(cc1C(=O)NCCc1nc(-c3cccnc3)n[nH]1)CCC2 65380985 OVWYZVXFCHCJMW-UHFFFAOYSA-N 364.409 1.732 0 50 FDAA CC(=O)c1cccc(N(CC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)S(C)(=O)=O)c1 101468690 AQUHYYGXVTUYLQ-JLJPHGGASA-N 364.467 1.960 0 50 FDAA Cc1ccc(N(CC(=O)NCCC[C@@H]2CCOC2)S(C)(=O)=O)cc1 55344565 PGXJKPMKLRXCKO-OAHLLOKOSA-N 354.472 1.694 0 50 FDAA Cc1ccc2cc(C3(O)CCN(C(=O)Cn4cnnn4)CC3)ccc2n1 67769656 RRZAAFNXNKEDRK-UHFFFAOYSA-N 352.398 1.040 0 50 FDAA O[C@H]1CN(CCCc2ccccc2)C[C@@H]1N1CCN(c2ccccn2)CC1 20905646 SUDCCVOWKWCBPH-SFTDATJTSA-N 366.509 1.882 0 50 FDAA CN(Cc1nc(-c2ccccn2)no1)C[C@]1(O)CCCN2CCCC[C@@H]21 63885165 PKIZRAANOILWSP-VQIMIIECSA-N 357.458 1.943 0 50 FDAA N[C@@H]1CCCC[C@@H]1CC(=O)NCc1cnc(N2CCOCC2)c(F)c1 423866460 DRNFKMHMJPNBJO-GDBMZVCRSA-N 350.438 1.581 0 50 FDAA C[C@@H](C1CCN(c2cc(N3CCCC3)nc(N)n2)CC1)N1CCN(C)CC1 65424024 OUAWPSXIAYRWNT-INIZCTEOSA-N 373.549 1.511 0 50 FDAA CS(=O)(=O)N1CCO[C@H](c2nnc([C@H]3Cc4cc(F)ccc4O3)o2)C1 328625341 DAAJLVOBSDYEKD-OLZOCXBDSA-N 369.374 1.218 0 50 FDAA Cc1ccncc1C(=O)N1CCC2(CC1)C[C@@H](C(=O)O)N(C(=O)C1CC1)C2 72454186 JKNVAAPDABSDHR-INIZCTEOSA-N 371.437 1.708 0 50 FDAA Cn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)CCCc2cccs2)cn1 328616448 BSDVTPVFCWDVHG-HNNXBMFYSA-N 367.496 1.803 0 50 FDAA NCCN1C(=O)CC[C@H]2CN(C(=O)C3(c4ccc(F)cc4)CC3)CC[C@H]21 72481149 TYWXUJIQQDNUGE-WMLDXEAASA-N 359.445 1.656 0 50 FDAA OCCCN1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 72167771 BOZUUJCHVGXTCJ-GOSISDBHSA-N 361.486 1.380 0 50 FDAA Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CCO[C@@H](c2ncon2)C1 329985499 DIHQXCGSKOUHSE-GFCCVEGCSA-N 373.335 1.588 0 50 FDAA Cc1ccc([C@@H]2CN(C(=O)C3(C(N)=O)CC3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72164744 SIAUIIUXBSWBKQ-RCCFBDPRSA-N 353.466 1.649 0 50 FDAA O=C(c1cnccn1)N1CCc2ncnc(NCc3ccco3)c2CC1 72474127 YUVMFHBVRCROOH-UHFFFAOYSA-N 350.382 1.713 0 50 FDAA Cc1cnn(C)c1S(=O)(=O)N1CCC=C(c2cn(C(C)C)nn2)CC1 333104396 QOJOTWNDKXGTAD-UHFFFAOYSA-N 364.475 1.769 0 50 FDAA O=C(NCc1ccncc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 30871239 YLQUUHFHXQIOAK-UHFFFAOYSA-N 359.451 1.937 0 50 FDAA Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCCN(Cc2ccncc2)C1 72447926 MMALFPDXJXDXNP-QGZVFWFLSA-N 370.501 1.546 0 50 FDAA Cc1csc2c(N3CC[C@@H](NC(=O)c4ccccn4)[C@H](O)C3)ncnc12 77406492 ICBPWXONKHKCKV-TZMCWYRMSA-N 369.450 1.764 0 50 FDAA COc1cccc(C(=O)N2CCN(C(=O)c3cnn4ccccc34)CC2)c1 77376146 PDPNODFQFDRKBI-UHFFFAOYSA-N 364.405 1.941 0 50 FDAA COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3cccnc3)CC2)C1 71745847 WKFAFOQDJKUWGS-KRWDZBQOSA-N 374.485 1.161 0 50 FDAA CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)COc2ccc(C)cc2)C1 72446852 SJIBEACJDRDPGG-HOTGVXAUSA-N 368.499 1.940 0 50 FDAA CCc1ccc(-c2cc(C(=O)N3CCN(c4nc[nH]n4)CC3)n[nH]2)cc1 426642878 JPQDZRJIACXQNK-UHFFFAOYSA-N 351.414 1.720 0 50 FDAA O=C(COc1ncnc2ccccc12)N[C@@H]1COCC[C@@H]1OCC1CC1 222993647 OPKUSFVRFRSHON-SJORKVTESA-N 357.410 1.709 0 50 FDAA CSc1nc(N)cc(-c2cccc(C(=O)N3CCC[C@H](C(N)=O)C3)c2)n1 426445568 MNBNUYDIHOGMCE-ZDUSSCGKSA-N 371.466 1.785 0 50 FDAA CCN=c1cc[nH]c(-c2ccc(C(=O)N3CCC[C@@H](C(N)=O)C3)cc2)n1 426388414 MVXVQJVBNVSNBV-OAHLLOKOSA-N 353.426 1.335 0 50 FDAA COc1ccc(N2CCN(C(=O)CCCn3cncn3)[C@H](C)C2=O)cc1 82107059 XUBSNUSTSWXAEH-CQSZACIVSA-N 357.414 1.331 0 50 FDAA Cc1cc(C(=O)NC[C@H]2CCCN2)ccc1NS(=O)(=O)C(F)(F)F 178744263 IXJUMNPEYLEGRA-LLVKDONJSA-N 365.377 1.738 0 50 FDAA Cc1nnsc1C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 91602496 KVQVVQVLRTWVTN-CMPLNLGQSA-N 363.468 1.566 0 50 FDAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCC(F)(F)F)C2 91475483 OWJQYCZOSXPKGB-NWDGAFQWSA-N 356.348 1.882 0 50 FDAA COc1cccc(C(=O)N2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)c1 91746904 PWNRHLBGSQZTMC-DZGCQCFKSA-N 367.471 1.038 0 50 FDAA Cc1n[nH]c(CCC(=O)N2C[C@H]3COc4ccccc4C[C@@]3(C(=O)O)C2)n1 95366671 IMKPGATWCVVWNL-IFXJQAMLSA-N 370.409 1.210 0 50 FDAA CN(C)C(=O)CCc1cccc(NC(=O)N[C@H]2C=CS(=O)(=O)C2)c1 96153659 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CN(C)c1cccc(-c2cccc(C(=O)N3CCNC(=O)[C@@H]3CCO)c2)c1 299794298 LINLLEYAIRNRME-IBGZPJMESA-N 367.449 1.743 0 50 FDAA CCN(CC)C(=O)c1ccc(NC(=O)NCCc2n[nH]c(=O)n2C)c(C)c1 299785041 JGCXDCBSBIPHDO-UHFFFAOYSA-N 374.445 1.263 0 50 FDAA O=C(Cn1c(=O)oc2ccccc21)N1CCC(N2CCSCC2)CC1 827911199 LYDKFVWUAAWMQX-UHFFFAOYSA-N 361.467 1.634 0 50 FDAA O=S(=O)(NCCCN1CCC[C@@H](O)C1)c1ccc(-c2ccno2)o1 670444430 NGIUWONZCFTNIT-GFCCVEGCSA-N 355.416 1.060 0 50 FDAA Cc1noc([C@@H]2CC(=O)N(C3CN(C(=O)C4(F)CCCCC4)C3)C2)n1 864682813 BIFHWVPQHHKFPK-GFCCVEGCSA-N 350.394 1.577 0 50 FDAA Cc1ccc(F)c(C(=O)N[C@@H]2CC23CCN(Cc2nnn(C)n2)CC3)c1 952895658 ZMORWDJNMJWMFI-OAHLLOKOSA-N 358.421 1.442 0 50 FDAA O=C(c1ccccc1SC[C@@H]1CCCO1)N1CCS(=O)(=O)CCO1 1875276800 CWEIODGMTXPIFF-ZDUSSCGKSA-N 371.480 1.760 0 50 FDAA CN=S1(=O)CCC2(CC1)CN(C(=O)C1(OC(C)C)CCC1)CCO2 1875395379 CBSNABFNOFASTR-UHFFFAOYSA-N 358.504 1.823 0 50 FDAA C=CC(=O)N[C@@H]1C[C@@H](NC(=O)Cn2ccc(C(F)(F)F)n2)C12CCC2 1875385947 FYPYHVAWXKWKKE-VXGBXAGGSA-N 356.348 1.632 0 50 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COc1cc(OC)cc(N2CC[C@@H](NC(=O)[C@H]3CC34CCNCC4)C2=O)c1 261910958 GSFHGWRCPWZYOE-IAGOWNOFSA-N 373.453 1.315 0 50 FDAA O=C(O)[C@@H]1CN(C(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)CCO1 262069523 INGFIPRWVGFMJG-LBPRGKRZSA-N 370.287 1.212 0 50 FDAA NCC[C@@H]1CN(c2cnn(CCSc3ccccc3)c(=O)c2)CCO1 72152449 LSHKFFJXERJHNO-MRXNPFEDSA-N 360.483 1.590 0 50 FDAA COc1ccc(S(=O)(=O)N2CCC[C@@H](N3CCCC3=O)C2)c(OC)c1 71760008 BNXRKDXSAWIAHS-CYBMUJFWSA-N 368.455 1.479 0 50 FDAA O=C(O)c1cccc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)n1 262391896 APOGZPDQBXQNJM-MRXNPFEDSA-N 353.378 1.873 0 50 FDAA CCCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 15739990 FXCIKHRMCOJBML-KRWDZBQOSA-N 366.483 1.651 0 50 FDAA CN(C)S(=O)(=O)N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 375623087 IBAMQEXREZIPBV-ZDUSSCGKSA-N 352.378 1.803 0 50 FDAA O=C(NCCc1noc([C@H]2CCCO2)n1)c1nc2ccccc2[nH]c1=O 215955690 KEJUAKLPWIWUQB-GFCCVEGCSA-N 355.354 1.130 0 50 FDAA CCN1CCN(S(=O)(=O)N2CCC[C@H]2c2cccc(OC)c2)CC1 72133618 CBZKCOPOZLAFPO-KRWDZBQOSA-N 353.488 1.714 0 50 FDAA CC(=O)N1CCC[C@](O)(C(=O)Nc2cnn(-c3ccc(C)cc3C)c2)C1 285544733 OJZZARXMWQARAQ-LJQANCHMSA-N 356.426 1.801 0 50 FDAA COc1ccc(N2C(=O)N[C@@H](CC(=O)NC[C@H]3C[C@H]4C=C[C@H]3C4)C2=O)cc1 225416781 JLJRYCOYGYGQGF-ZJOBFFGXSA-N 369.421 1.839 0 50 FDAA biogenic O=C(CN1C[C@H](c2ccccc2)CC1=O)NCc1cc2n(n1)CCCNC2 82135615 LFEFCWGRMKGVJE-MRXNPFEDSA-N 367.453 1.009 0 50 FDAA C[C@@H]1CCc2c(sc(NC(=O)COCC(=O)O)c2C(=O)NC2CC2)C1 17075237 ZXAGPOKEKOEDLJ-SECBINFHSA-N 366.439 1.805 0 50 FDAA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1ccc2c(=O)n(C)cnc2c1 220494102 JDJVRHFBUBWRNQ-MSOLQXFVSA-N 371.437 1.804 0 50 FDAA O=C(c1ccc(-n2cnnn2)cc1)N1CCC[C@H](OCc2cccnc2)C1 82115886 LPJKHYBHISKPFB-SFHVURJKSA-N 364.409 1.879 0 50 FDAA COc1ccc(N2C(=O)N[C@@H](CC(=O)NC[C@@H]3C[C@H]4C=C[C@H]3C4)C2=O)cc1 225416740 JLJRYCOYGYGQGF-WSMBLCCSSA-N 369.421 1.839 0 50 FDAA biogenic COc1cccc(CCNC(=O)Cn2ccc([C@H]3CCCNC3)n2)c1OC 426674235 OHSWVTUHZSHOMR-INIZCTEOSA-N 372.469 1.726 0 50 FDAA CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1ccc3c(c1)OCO3)C2 91320449 FKYLBYUOAAWFAF-LSDHHAIUSA-N 359.426 1.562 0 50 FDAA Cc1cc(C)nc(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)n1 91474102 XTZXRVHFWVAJND-OAHLLOKOSA-N 353.426 1.196 0 50 FDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C[C@H]1C=CCC1)CC2 95527940 HFXASCYBOVHEME-HNNXBMFYSA-N 372.469 1.615 0 50 FDAA Cc1nn2cc(CNC(=O)N3CCC[C@@H](c4ccncn4)C3)nc2s1 426677377 FDQYSIZIJGBEBI-GFCCVEGCSA-N 357.443 1.978 0 50 FDAA CN(Cc1noc2c1CCCC2)C(=O)[C@@H]1CC(=O)N(Cc2cccnc2)C1 95497400 FWIULUUGGXGEIJ-OAHLLOKOSA-N 368.437 1.956 0 50 FDAA CCC(=O)N[C@H](C)C(=O)N1CCC(c2nccn2CCCN(C)C)CC1 95354289 VGSOCSQSJXESPP-OAHLLOKOSA-N 363.506 1.456 0 50 FDAA Cn1c(Cn2cccn2)nnc1C1CCN(c2ccc(C(=O)O)cn2)CC1 91475076 RYZUMGLIEJGCKA-UHFFFAOYSA-N 367.413 1.537 0 50 FDAA COc1ccc([C@H](C)NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)cc1F 239637035 BIJLNQGTVDSXBY-AAEUAGOBSA-N 358.435 1.130 0 50 FDAA Cc1c(C(=O)N2CCC[C@H]2C(=O)O)nnn1-c1cccc2cccnc12 237756074 VCNYGNQNKSXZNY-AWEZNQCLSA-N 351.366 1.813 0 50 FDAA Cc1nn(CC(=O)N[C@H](CC(C)C)c2ncnn2C)c(=O)c2ccccc12 91519382 JIJQRJVPPYXPGX-MRXNPFEDSA-N 368.441 1.737 0 50 FDAA CCOCC1(CNC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)CCC1 97784850 RRHIMJZEBBLBBD-UHFFFAOYSA-N 354.472 1.887 0 50 FDAA Cc1nccc(N2CCC(c3nnc(Cn4ccnc4C)n3C)CC2)n1 91536145 VKRLPRRIRVEFGX-UHFFFAOYSA-N 352.446 1.851 0 50 FDAA Cn1c(Cn2ccnc2)nnc1[C@H]1CCCN(c2cccc(C(=O)O)n2)C1 91871595 KEBCGBHJUDWFMF-ZDUSSCGKSA-N 367.413 1.537 0 50 FDAA COc1ccc(CN2CCCN(C(=O)C3CC3)CC2)cc1OCC(=O)O 252490428 KTDGXWMZPUROQP-UHFFFAOYSA-N 362.426 1.603 0 50 FDAA COc1cncc([C@H](NC(=O)Cc2cnc(C)nc2O)[C@H]2C[C@H](O)C2)c1 253535955 ZDNMKANPOISJPF-JDSLSITLSA-N 358.398 1.065 0 50 FDAA COc1ccc(C(=O)N2CCC(C(=O)NCCc3nccn3C)CC2)cc1 252493388 NBAOYGVZEMNILT-UHFFFAOYSA-N 370.453 1.640 0 50 FDAA CCCN1C[C@H](NC(=O)N2CCN(CCc3ccccc3)C(=O)C2)CC1=O 534667427 JRZGLPXENSVPLX-QGZVFWFLSA-N 372.469 1.094 0 50 FDAA O=C(c1cccc(-n2cccn2)c1)N1CC[C@@H](O)[C@](CC2CC2)(C(=O)O)C1 1940196263 WHRBTEBDYIDUGE-YLJYHZDGSA-N 369.421 1.950 0 50 FDAA Cn1nc(-c2cccc(C(=O)N3CCSCC3)c2)nc1N1CCOCC1 299760194 OVVYHMUTQAOICR-UHFFFAOYSA-N 373.482 1.508 0 50 FDAA COc1ccc(C(=O)N2CCC(C(=O)N[C@@H]3CCNC3)CC2)cc1OC 299760929 SHUIAFCSSYUICZ-OAHLLOKOSA-N 361.442 1.034 0 50 FDAA O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCCN1CCCC1=O 299801567 ZFEKXDSDMXDEHW-UHFFFAOYSA-N 365.739 1.259 0 50 FDAA O=C(c1cc(-c2ccccc2)on1)N1CC[C@@H](Nc2ncccn2)[C@H](O)C1 299772568 BRQUVVFTIJKVOO-GDBMZVCRSA-N 365.393 1.819 0 50 FDAA CCn1nnc(-c2cccc(NC(=O)NCCCN3CCOCC3)c2)n1 299764825 MQBNLQADFXRJRX-UHFFFAOYSA-N 359.434 1.204 0 50 FDAA CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCCc1noc(CO)n1 828840492 JPYYLHQKKSGZSV-INIZCTEOSA-N 373.457 1.268 0 50 FDAA Cc1nnccc1C(=O)N1CC[C@@H](c2cc(O)nc(N3CCCC3)n2)C1 864854737 DLFGEHKIQPGLTE-CYBMUJFWSA-N 354.414 1.511 0 50 FDAA NC(=O)CCN(Cc1ccccc1)C(=O)COC(=O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 869660361 BQNXYYQHZURPMD-UYTYNIKBSA-N 370.449 1.726 0 50 FDAA COCc1noc(CN2CCC(c3nccc(-c4cnn(C)c4)n3)CC2)n1 952891668 HBDSNTOVMXPRLU-UHFFFAOYSA-N 369.429 1.786 0 50 FDAA COCCCOCC(=O)N1CCC(c2nccc(-c3cncnc3)n2)CC1 952894218 XPGVDPZUFLNYME-UHFFFAOYSA-N 371.441 1.693 0 50 FDAA Cn1cc(CNC[C@@H](O)COc2ccc(Cl)cc2Cl)c(O)nc1=O 1875279899 KTDQLMWESSAHPS-LLVKDONJSA-N 374.224 1.322 0 50 FDAA O=C(O)[C@@H](CNS(=O)(=O)c1ccc2ncccc2c1)C[C@@H]1CCOC1 1875266774 JAEOTEOWYNAIKV-GXTWGEPZSA-N 364.423 1.641 0 50 FDAA C=CC(=O)NC[C@H]1CCCC[C@H]1NC(=O)CNC(=O)c1ccc(C)s1 1875370996 KUWZDROXUFULDZ-ZIAGYGMSSA-N 363.483 1.764 0 50 FDAA O=C(Nc1cn(CC(F)(F)F)nc1C1CC1)N1CC[C@H](c2nn[nH]n2)C1 1875329620 ANDGTVLYCSOEIH-VIFPVBQESA-N 370.339 1.857 0 50 FDAA CC(C)n1c(O)nnc1[C@@H]1[C@H](C2CC2)CCN1c1ccnc2ncnn12 1875400115 REANFUODQBLOCD-JSGCOSHPSA-N 354.418 1.980 0 50 FDAA O=C(NCCc1nc(O)c2ccccc2n1)c1cnc2ccccn2c1=O 952872383 NHYMEHPKDLFQMB-UHFFFAOYSA-N 361.361 1.316 0 50 FDAA COC[C@H](C)NC(=O)C1CCN(C(=O)C2(N3CCCC3)CCCC2)CC1 952867585 QGYRIAZVGYEUEO-INIZCTEOSA-N 365.518 1.785 0 50 FDAA C[C@H]1CN(c2nc3ccccc3nc2N2CC[C@H](C(N)=O)C2)C[C@@H](C)O1 269129859 HUZQATBBMHYCHQ-MJBXVCDLSA-N 355.442 1.555 0 50 FDAA CCN1CCO[C@@H](CN[C@H]2CCCc3c2cnn3C)[C@@H]1c1nccn1C 886085401 NTIWYMIBNNHRDH-RYQLBKOJSA-N 358.490 1.583 0 50 FDAA Cc1nc([C@H]2C[C@@H](O)[C@@H](CNc3ncncc3Br)C2)n[nH]1 886085126 BLCSZDUVNLTDMP-FXPVBKGRSA-N 353.224 1.632 0 50 FDAA Cc1nn(CC(F)(F)F)cc1C(=O)N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 1333104015 KRSGPZMKVLQCSQ-QWRGUYRKSA-N 365.377 1.261 0 50 FDAA CO[C@H]1CCOC[C@@H]1NC(=O)CCCn1nnc(-c2ccc(F)cc2)n1 1565511845 GKTXZWZKTHCMOZ-GJZGRUSLSA-N 363.393 1.180 0 50 FDAA O=C(Cc1c[nH]c2ccccc12)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1O 1565506264 OQHSLIVSKYJALG-PMACEKPBSA-N 364.449 1.857 0 50 FDAA COc1ccc(C)cc1C(=O)N[C@H]1CCN(Cc2c(C)noc2C)C[C@@H]1O 1565514067 CDNDXVWVSDOVPA-ROUUACIJSA-N 373.453 1.974 0 50 FDAA CC(C)c1ncc(C(=O)N2CC[C@@H](N(C)Cc3nccc(N)n3)C2)s1 276593797 VBEFVHDZCDCSSI-GFCCVEGCSA-N 360.487 1.985 0 50 FDAA CN1CCN(S(=O)(=O)c2cnn(CC(F)F)c2)c2cc(F)ccc21 187218464 DGRAGPKSRZMAIJ-UHFFFAOYSA-N 360.361 1.932 0 50 FDAA CCn1cc([C@@H]2CN(C(=O)NC3CCN(CCOC)CC3)CCO2)cn1 191653650 UQZBRYQSORKSTR-KRWDZBQOSA-N 365.478 1.097 0 50 FDAA Cc1noc([C@H](C)N2CCN(Cc3nc4ccsc4c(=O)[nH]3)CC2)n1 193020528 FAFIGHZKFGFKRC-JTQLQIEISA-N 360.443 1.555 0 50 FDAA Nc1nccc(C2CCN(C3CCN(C(=O)c4ccncc4)CC3)CC2)n1 1506416654 HYWWUQLNSABPIB-UHFFFAOYSA-N 366.469 1.938 0 50 FDAA COc1ccc2c(c1)OC[C@H](CNC(=O)c1nc(N)nc3c1CCCC3)C2 1506424950 NFCABTODCIHSBQ-LBPRGKRZSA-N 368.437 1.927 0 50 FDAA O=C(CCN1CCCCCC1=O)NC[C@@H]1CCCN(c2ncccn2)C1 1506421615 JTUJWZYQCZDLGG-INIZCTEOSA-N 359.474 1.602 0 50 FDAA COc1ccc([C@H](C(=O)O)N2CCC3(CCC(=O)N3C)CC2)cc1OC 1529189098 GIRYPWNXURNVRI-QGZVFWFLSA-N 362.426 1.916 0 50 FDAA O=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1ccccc1N1CCOCC1 1529160078 XXYWBBDLQRJXJX-MJGOQNOKSA-N 367.449 1.906 0 50 FDAA CN(C)C(=O)NCC(=O)N1CCCN(C(=O)C2CCCCCC2)CC1 1529111958 CNBYIZISOFHCTF-UHFFFAOYSA-N 352.479 1.289 0 50 FDAA CCn1nc(C)c(C(=O)N2CCCN(Cc3cc(O)nc(C)n3)CC2)c1C 1704348492 VZWAZBZYPLATDO-UHFFFAOYSA-N 372.473 1.672 0 50 FDAA Cc1ccn2c(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)N3CCCC3)nnc2n1 1615750810 NIOBBFSZTOBOGX-KGLIPLIRSA-N 356.430 1.800 0 50 FDAA CN(C)S(=O)(=O)C[C@H]1CN(c2ccnc3cc(Cl)ccc23)C[C@@H]1O 1615739407 JLEFUYHTHPVMEY-BZNIZROVSA-N 369.874 1.577 0 50 FDAA CCCC[C@H]1CN(c2nc3c(c(O)nc(=O)n3C)n2C)C[C@@H](C(C)C)O1 1615941191 SGYAHQZCWHDTAC-STQMWFEESA-N 363.462 1.793 0 50 FDAA C[C@@H]1C(=O)N2CCC[C@@H]2CN1S(=O)(=O)CCOc1ccccc1F 1772705295 QUIFMMYYYYEMLQ-CHWSQXEVSA-N 356.419 1.229 0 50 FDAA Cc1ccccc1N1CCN(c2ncccc2CNC(=O)CN(C)C)CC1 12307789 QBCIKEOFMKGXLH-UHFFFAOYSA-N 367.497 1.894 0 50 FDAA CS(=O)(=O)c1ncc(CN2CC[C@H](O)C2)n1CCCc1ccccc1 12433572 RMPXECNOLMIJMF-KRWDZBQOSA-N 363.483 1.486 0 50 FDAA Cc1nc([C@H](C)N(C)C(=O)Cn2nnnc2CN2CCCC2)c(C)s1 12593446 VTAFYCAZLIYHKQ-NSHDSACASA-N 363.491 1.562 0 50 FDAA Cc1c(CNC(=O)[C@@H]2CCC(=O)N(CCc3ccccc3)C2)cnn1C 12702695 ZWJOGRVQVQDUFB-QGZVFWFLSA-N 354.454 1.826 0 50 FDAA CC(=O)NCC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 14958289 PXVHHKAJMQZAIH-GFCCVEGCSA-N 357.332 1.059 0 50 FDAA Cc1nscc1C(=O)N[C@@H]1C[C@H](C)N(c2cc(Cl)c(O)nn2)C1 1857530163 MQDLXKRJHCUWQT-IONNQARKSA-N 353.835 1.998 0 50 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Cc1cc(S(=O)(=O)NCCN2CCOCC2)c(Cl)cc1Cl 19813064 YCCRVGPGRWSLLX-UHFFFAOYSA-N 353.271 1.912 0 50 FDAA Cc1cc(CN[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)n(C)n1 1857529112 XDWWKMVWFYDWAO-OAHLLOKOSA-N 371.489 1.206 0 50 FDAA O=C(N[C@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1)c1cccc(N2CCNC2=O)c1 1857722643 LHADQSZIGTXNBX-RYQLBKOJSA-N 370.453 1.198 0 50 FDAA Cc1cc(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)cc(C)c1O 1857725700 IWOZNQSWMHXBFB-ROUUACIJSA-N 372.469 1.886 0 50 FDAA CCCNC(=O)[C@@H]1C[C@@H](O)[C@H](NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)C1 1875245421 ZHHGIRIQZDYOGY-NJZAAPMLSA-N 361.442 1.238 0 50 FDAA COc1c(C(=O)O)cc(-c2cc(=NC3CC3)[nH]c(=N)[nH]2)c(OC)c1OC 1875247145 XWJMBRUAKWLFAV-UHFFFAOYSA-N 360.370 1.276 0 50 FDAA Cc1cnc(CNC(=O)[C@@]23CCCCN2C[C@@H](NC2CCOCC2)C3)cn1 1875248661 FALSWASNVISPAW-PXNSSMCTSA-N 373.501 1.167 0 50 FDAA CCN(CC)Cc1ccccc1CNC(=O)NCc1nc(N(C)C)no1 225853450 CPEKTZBMRUFGSX-UHFFFAOYSA-N 360.462 1.977 0 50 FDAA CNC[C@H]1CCCN(C(=O)C[C@@H](NC(C)=O)c2c(F)cccc2F)C1 237295286 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CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cn1ccc(=O)c2ccccc21 2325730466 GUWFZQAMDDGHHN-HNNXBMFYSA-N 368.393 1.015 0 50 FDAA NC1CC(CCNC(=O)N2CCC[C@H](Cc3nnc4ccccn34)C2)C1 2325766227 DJIJIFQALNUEAM-HWOWSKLDSA-N 356.474 1.821 0 50 FDAA CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1cncn(C)c1=O 2325781096 KQIMIWMBIBQIMJ-UMVBOHGHSA-N 350.415 1.941 0 50 FDAA O=C(O)[C@@]12CCC[C@@]1(C(=O)N1CCN(c3ncnc4ccsc34)CC1)C2 2325792206 LFJQMOCYYCMZCJ-ROUUACIJSA-N 372.450 1.985 0 50 FDAA Cc1ncc(Br)c(N2CCO[C@@H](CN3CCOCC3)C2)n1 2325792681 DJNCWIQVOUDZDY-LBPRGKRZSA-N 357.252 1.085 0 50 FDAA O=C(NC[C@@H](NC(=O)[C@@H]1CN2CCC1CC2)C1CC1)c1occ2c1CCC2 2325793606 AKERDDBGRRQFDK-QZTJIDSGSA-N 371.481 1.735 0 50 FDAA C[C@@H]1CN(c2ccncc2)CCN1C(=O)c1cn(-c2cnn(C)c2)cn1 2325798238 ZBSKZNXONPQPFZ-CQSZACIVSA-N 351.414 1.352 0 50 FDAA COC(=O)c1cn(CC(=O)N[C@H](CO)c2cccc(Cl)c2Cl)cn1 2325800149 SFTQYVUBBBADEI-GFCCVEGCSA-N 372.208 1.826 0 50 FDAA CCN(C)CC(=O)N[C@H](C)C[C@H](C)NC(=O)Cc1cc(C2CC2)on1 2325868134 PRBMLSUREKFLKW-QWHCGFSZSA-N 350.463 1.446 0 50 FDAA O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1ccc(S(=O)(=O)O)cc1 2325870599 GITVYQPYDHLWDP-OAHLLOKOSA-N 368.455 1.307 0 50 FDAA C[C@@H]1C[C@@H]1c1nc(CS(C)(=O)=O)nn1-c1ccc2c(=O)[nH]ccc2c1 2325875261 LLBJYKMYGSFFIZ-YGRLFVJLSA-N 358.423 1.777 0 50 FDAA O=C1CC[C@H](N2Cc3ccc(NC(=O)C4(C5CC5)CC4)cc3C2=O)C(=O)N1 2325887996 JNEMUUAMCRHJJW-HNNXBMFYSA-N 367.405 1.576 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)N(C)CC(=O)N2CCCc3ccccc32)C1 2325888733 VQWJODIAUKKXLM-KRWDZBQOSA-N 369.465 1.849 0 50 FDAA Cc1cn2c(n1)[C@H](C)C[C@H](C(=O)NS(=O)(=O)c1ccnc(Cl)c1)C2 2325890338 PGDIXWNIEVCNMG-KOLCDFICSA-N 368.846 1.868 0 50 FDAA COC(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)nc(OC)n2)cc1 629381 WPLIQPBJRRXRKP-UHFFFAOYSA-N 368.371 1.473 0 50 FDAA C[C@]1(O)CCOC2(CCN(C(=O)c3cnc4ccccn4c3=O)CC2)C1 2356154056 GRGWUAGJCYASFG-SFHVURJKSA-N 357.410 1.231 0 50 FDAA Cc1ccc(-c2nc(CN3CCC4(CC3)C[C@@H](O)[C@@H](O)CO4)no2)cc1 2356156001 RDCJEXRDKWTXIS-CVEARBPZSA-N 359.426 1.522 0 50 FDAA Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)NC[C@H]1CCCO1 2876172 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1.318 0 50 FDAA CN1CC[C@H](C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1=O 428444930 FHUSARCZFVNBGU-NSHDSACASA-N 358.847 1.228 0 50 FDAA O=C(COc1ccc2nncn2n1)N1CCc2[nH]c3ccc(F)cc3c2C1 1506407766 RSWXKBUMIKQACO-UHFFFAOYSA-N 366.356 1.708 0 50 FDAA Cc1cccc(C)c1NC(=O)CNC(=O)c1cn(C2CCNCC2)nn1 429754116 ZMOVUXVTPKGQBB-UHFFFAOYSA-N 356.430 1.188 0 50 FDAA Cn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)c2ccc(Cl)c(F)c2)cn1 328620452 HALWJVYWFMJRBT-AWEZNQCLSA-N 371.821 1.825 0 50 FDAA Cc1ccc2oc(=O)n(CCC(=O)N3CCc4c(nc(C)[nH]c4=O)C3)c2c1 71750336 FWURANQLKNIMKX-UHFFFAOYSA-N 368.393 1.270 0 50 FDAA CC(C)c1noc([C@H](NC(=O)c2ccc(=O)n(C)n2)C2CCOCC2)n1 330300102 MWIIEZMVMDEAAN-CQSZACIVSA-N 361.402 1.184 0 50 FDAA CNC(=O)[C@@H]1CCCN(c2nc(-c3ccncc3)nc3c2cnn3C)C1 72427946 KHQQMARTCGNZMJ-CYBMUJFWSA-N 351.414 1.388 0 50 FDAA COC[C@H](Nc1nc(-c2cccnc2)nc2c1cnn2C)c1ccnn1C 72157073 ILBQKSSZIHYYIS-AWEZNQCLSA-N 364.413 1.958 0 50 FDAA COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3cccc(C(N)=O)c3)C2)c1 363332493 YSXZJLYRWWXLBJ-OAHLLOKOSA-N 369.421 1.811 0 50 FDAA CCc1ccccc1-n1cc(O)c(C(=O)N2CCO[C@]3(CCOC3)C2)n1 364163860 ARMYLVLJMDXVQM-LJQANCHMSA-N 357.410 1.772 0 50 FDAA Cc1ccc(C2(C(=O)N3CC[C@@H]4[C@@H](CCC(=O)N4CCN)C3)CC2)cc1 72419992 UNFSCGWJUJPJJU-FUHWJXTLSA-N 355.482 1.825 0 50 FDAA Cc1nn2c(NCCNS(C)(=O)=O)cc(-c3ccccc3)nc2c1C 72431277 NUWUEJRIVOJMJM-UHFFFAOYSA-N 359.455 1.974 0 50 FDAA Cc1cccc(C(=O)N2CCC(c3nnc(CN(C)CCO)n3C)CC2)c1 77534918 URNHFUCGLXSODB-UHFFFAOYSA-N 371.485 1.567 0 50 FDAA Cc1cc(C(=O)N2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C2CC2)C3)[nH]n1 72432416 SZEPMMUZRWSTJY-AWEZNQCLSA-N 360.414 1.036 0 50 FDAA O=C(O)CCc1cc2n(n1)CCCN(C(=O)[C@H]1Cc3ccccc3O1)C2 72428495 KERWUCHPEYPVLB-QGZVFWFLSA-N 355.394 1.636 0 50 FDAA NCCN1C(=O)CC[C@H]2CN(C(=O)c3ccc4nccnc4c3)CC[C@H]21 72474342 OOUHNOIANDWXHY-WMLDXEAASA-N 353.426 1.042 0 50 FDAA CN(C)c1noc(CN2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)n1 375760364 FORRRFOSEOJGOP-QWHCGFSZSA-N 353.423 1.005 0 50 FDAA CCC(CC)[C@@H](C(=O)NCCCN1CCCO[C@@H](C)C1)N1CCOCC1 240225429 DHTATQQFEKFZSJ-HKUYNNGSSA-N 369.550 1.741 0 50 FDAA CCOc1cccc(CN2CCN(C(=O)CC)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 72477368 DCJJKXMSCUFWEL-DLBZAZTESA-N 366.483 1.305 0 50 FDAA CN1CC[C@@H]2OCCN(C(=O)COc3cccc(N4CCCC4=O)c3)[C@@H]2C1 285702337 IVUZTESKFFMYRK-MSOLQXFVSA-N 373.453 1.124 0 50 FDAA Cc1c(C(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)cnc2ccnn12 223019363 UZGHHLDJWOYKCY-HUUCEWRRSA-N 353.382 1.399 0 50 FDAA COc1ccc2[nH]c(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3NC(C)=O)c(C)c2c1 220184935 UZWUYIBCFHEZRX-QRVDHSFSSA-N 357.410 1.507 0 50 FDAA NC(=O)[C@@H]1CCCN1C(=O)Cn1ccc2c(Br)cccc21 40309494 MNWSLQNBSPVBHM-ZDUSSCGKSA-N 350.216 1.880 0 50 FDAA biogenic CS(=O)(=O)CCNC(=O)N1CCC([C@@H](O)CCc2ccccc2)CC1 426701431 NWBLBKYAEAKQRJ-KRWDZBQOSA-N 368.499 1.446 0 50 FDAA Cc1nc(C)c(CC(=O)N[C@@H]2CCN(Cc3cscn3)C[C@H]2O)s1 426597181 FXCFFMXPWDBOBY-ZIAGYGMSSA-N 366.512 1.511 0 50 FDAA Cc1ccccc1[C@@H](C(=O)N1CCc2onc(C(=O)N(C)C)c2C1)N(C)C 95524809 ICJNXYBWMVBZTB-SFHVURJKSA-N 370.453 1.872 0 50 FDAA NS(=O)(=O)c1ccc(CNC(=O)c2cccc([C@H]3CCCNC3)c2)cc1 95366818 QSZXSGAIZPGALR-KRWDZBQOSA-N 373.478 1.731 0 50 FDAA O=C(O)[C@H]1Cc2[nH]cnc2CN1C(=O)c1cnn(Cc2ccccc2)c1 95502761 APLKQFVSYYHJSG-MRXNPFEDSA-N 351.366 1.306 0 50 FDAA O=C(N[C@@H]1CCCN(C(=O)c2ccco2)C1)c1ccnc(-n2cnnc2)c1 97759456 QVURQJWRXHAHQW-CQSZACIVSA-N 366.381 1.290 0 50 FDAA COCc1cc(CNC(=O)N2CCC[C@@H](OCc3cccnc3)C2)[nH]n1 426409549 VHEYNRQYAPSTIQ-QGZVFWFLSA-N 359.430 1.842 0 50 FDAA CCN1CC2(CCN(C(=O)CCC(N)=O)CC2)C[C@H](c2ccccc2)C1=O 95378917 WMCXRJPXNLFHRL-QGZVFWFLSA-N 371.481 1.897 0 50 FDAA O=C1CCC2(CCN(C(=O)[C@H]3CCc4ccccc43)CC2)CN1CCO 91876768 FSHMKBPXDYBESG-SFHVURJKSA-N 356.466 1.940 0 50 FDAA COc1cccc2c1OC[C@H](CNC(=O)Cc1c(C)nc(N)nc1C)C2 95389318 PKCHAXDFVAPYAF-ZDUSSCGKSA-N 356.426 1.594 0 50 FDAA Cc1nn(CC(=O)NCc2ccc(C(=O)O)s2)c(=O)c2ccccc12 95362427 SBULGRYHXCWTGY-UHFFFAOYSA-N 357.391 1.781 0 50 FDAA CCN1CCc2[nH]cnc2C12CCN(C(=O)c1cc(C(C)=O)[nH]n1)CC2 91831046 ZRTQSALGTADPLH-UHFFFAOYSA-N 356.430 1.345 0 50 FDAA NS(=O)(=O)c1ccc(CNC(=O)c2cccc([C@@H]3CCCNC3)c2)cc1 95366817 QSZXSGAIZPGALR-QGZVFWFLSA-N 373.478 1.731 0 50 FDAA O=C(Cn1cccnc1=O)N1CCCN(C(=O)OCc2ccccc2)CC1 97742835 BYULKDPNQOLIBG-UHFFFAOYSA-N 370.409 1.114 0 50 FDAA COCCN1C[C@@]2(CCCN(C(=O)CN3CCCCCC3)C2)CCC1=O 91426599 OZKJZGCKRFDERM-FQEVSTJZSA-N 365.518 1.740 0 50 FDAA C[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)NC2CCOCC2)cc1 92080737 YUSMGLZYAVRTRF-CYBMUJFWSA-N 352.456 1.768 0 50 FDAA O=C([C@@H]1CCC(=O)N(C2CCCC2)C1)N1CCN(c2ncccn2)CC1 91441595 UYRCKQQBDYQCPE-OAHLLOKOSA-N 357.458 1.306 0 50 FDAA Cc1nnsc1C(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccn1)C2 92078647 AILPAQFRNCBEBO-QWHCGFSZSA-N 357.439 1.618 0 50 FDAA CCn1nc(CC(C)C)cc1C(=O)NCCS(=O)(=O)N1CCCC1 97098907 YUOOWAKWAGKSQU-UHFFFAOYSA-N 356.492 1.257 0 50 FDAA O=C(CC[C@H]1CCCN(CCCO)C1)N1CCN(c2ccccn2)CC1 95501944 VNAXGJZZBPZWKH-GOSISDBHSA-N 360.502 1.605 0 50 FDAA Cc1ccsc1C(=O)[C@@H]1CCCN(C(=O)CN2C(=O)CCNC2=O)C1 95530404 DMRPGKBFHWSSCM-GFCCVEGCSA-N 363.439 1.420 0 50 FDAA C[C@H](NC(=O)CCc1nc2ccccc2[nH]c1=O)c1cn2ncsc2n1 92099101 GLTHNDFWNXOJFT-JTQLQIEISA-N 368.422 1.837 0 50 FDAA C[C@@H](O)CN1CC2(CCC1=O)CCN(C(=O)COCc1ccccc1)CC2 91943246 QTWNOEMTCYNPHX-QGZVFWFLSA-N 374.481 1.815 0 50 FDAA O=C(NCCCc1ccc(O)cc1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 95520520 HURAKYHECMMSIY-MRXNPFEDSA-N 353.422 1.885 0 50 FDAA NC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)c2ccnc3ccccc23)C1 95525013 FYUMFEJNYLSNHU-CQSZACIVSA-N 363.421 1.936 0 50 FDAA Cc1cc(C)cc(N2CCN(CCCS(=O)(=O)N(C)C)CC2=O)c1 244898971 ZETKPLVSWGWHEE-UHFFFAOYSA-N 353.488 1.234 0 50 FDAA O=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@H]1CCCc2nc(O)ccc21 298134722 CMYQIOQUZNBABR-AWEZNQCLSA-N 372.425 1.536 0 50 FDAA Cn1c(CO)nnc1[C@H]1C[C@H](NC(=O)[C@@H]2CCCN2Cc2ccccc2)C1 252527605 CZKCLYMACLWWJO-ULQDDVLXSA-N 369.469 1.334 0 50 FDAA O=C(NCc1ccco1)N1CCc2nn(Cc3cccnc3)c(=O)cc2C1 263616601 JQJJDAFOPZVYAH-UHFFFAOYSA-N 365.393 1.548 0 50 FDAA NS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)s1 534589606 XXTHGCRJHWYZRO-UHFFFAOYSA-N 352.437 1.535 0 50 FDAA O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)N1CCN(c2cccs2)C(=O)C1 185127224 HEZJMFAVTUKFIM-LBPRGKRZSA-N 362.455 1.117 0 50 FDAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc2c(c1)OCCO2 36593768 KBVZGTMSOVVHHU-CQSZACIVSA-N 367.361 1.537 0 50 FDAA biogenic CS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCN(c3ncccn3)C2)cc1 299784151 HXNNDRVCNILWRI-OAHLLOKOSA-N 374.466 1.208 0 50 FDAA O=C(NC1CCN(C(=O)N2CCCC2)CC1)c1cnc(O)c(Cl)c1 299775247 JDKNCQMFSUIWPB-UHFFFAOYSA-N 352.822 1.851 0 50 FDAA COc1ccccc1-c1noc(CCCC(=O)N[C@@H]2CCC(=O)N(C)C2)n1 299778338 IXNIHSKLORKIPZ-CYBMUJFWSA-N 372.425 1.805 0 50 FDAA NS(=O)(=O)c1cccc(NC(=O)NCC2(N3CCCC3)CCCC2)c1 299776129 NSCMIWNPGVQERT-UHFFFAOYSA-N 366.487 1.864 0 50 FDAA O=C(c1ccc(C(=O)N2CCC[C@]3(CCNC3)C2)cc1)N1CCOCC1 299789136 XFSZPIIRYBUFAL-HXUWFJFHSA-N 357.454 1.375 0 50 FDAA CS(=O)(=O)N1CCC[C@@H](c2nnc3sc(-c4ccncc4)nn23)C1 824864466 ONVJXOCZJFQLPY-LLVKDONJSA-N 364.456 1.387 0 50 FDAA CN1CCN(c2ccc(C(=O)NCCCc3csc(N)n3)cc2)CC1 823792784 XKVCJVDYRLABND-UHFFFAOYSA-N 359.499 1.840 0 50 FDAA CNC(=O)c1noc(CNC(=O)N(C)Cc2nc3cc(C)c(C)cc3[nH]2)n1 584901146 AREWFWFKELICOL-UHFFFAOYSA-N 371.401 1.264 0 50 FDAA COc1cc(/C=C/C(=O)N2CCCC[C@@H]2[C@H](C)N)ccc1OCC(N)=O 269183247 JAGCCHBENUDSLX-LRGSNQRWSA-N 361.442 1.301 0 50 FDAA O=C(N[C@H](Cc1cn(Cc2cccs2)nn1)C(=O)O)c1cncs1 1875325421 XNYRXIYPPRJCRG-LLVKDONJSA-N 363.424 1.270 0 50 FDAA O=C(NCC1CCN(c2nc[nH]n2)CC1)c1c(Cl)ccc2c1OCO2 1875320630 HYCNRFAURJXXMN-UHFFFAOYSA-N 363.805 1.833 0 50 FDAA Cc1ccc([C@@H]2CC(=O)N(C[C@H]3CC[C@H](C(=O)N(C)C)O3)C(=O)N2)cc1 1875278760 CUQLIXCOSQDERZ-OWCLPIDISA-N 359.426 1.614 0 50 FDAA Cn1cc(-c2ccc(=O)n(CC(=O)NCc3ccccc3Cl)n2)cn1 1875259886 GUQYUHPZTZNUNY-UHFFFAOYSA-N 357.801 1.614 0 50 FDAA O=C(CCc1n[nH]c2ccccc12)N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O 1875400655 ICUXAOLGUWYQBY-FSPWUOQZSA-N 353.426 1.648 0 50 FDAA CN1C(=O)CC[C@H](CNC(=O)c2cc[nH]c2C2CC2)[C@H]1c1cnn(C)c1 886028061 WXFJIIXDXOKCCJ-ACJLOTCBSA-N 355.442 1.965 0 50 FDAA COc1ccc(C2(CNC(=O)[C@H]3CC[C@H](C(=O)O)N3C3CC3)CC2)cc1 888101473 BIGSRROQQMHBOS-IAGOWNOFSA-N 358.438 1.923 0 50 FDAA COc1cccc(C(=O)N[C@H]2CCN(Cc3c(C)noc3C)C[C@@H]2O)c1 1565507968 UEHGZZWAZDQKRK-ROUUACIJSA-N 359.426 1.665 0 50 FDAA Cn1ccnc(N2CCC[C@@H](NC(=O)c3cccc4cnccc34)C2)c1=O 275571193 GUUSKAZWEDQDES-OAHLLOKOSA-N 363.421 1.727 0 50 FDAA Cc1oc(-c2cnn(C)c2)nc1C(=O)N(CC1CC1)C[C@@H]1CN(C)CCO1 276547510 RWAJJFSNAJIJLW-INIZCTEOSA-N 373.457 1.566 0 50 FDAA CN(C)S(=O)(=O)CCCN1[C@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C 407955067 HARFHKPOAHYHOQ-IPYPFGDCSA-N 364.533 1.108 0 50 FDAA O=C(O)C[C@@H]1C(=O)NCCN1C(=O)c1cc2c(s1)-c1ccccc1CC2 170596779 VJAFYGGZZLRMTB-CQSZACIVSA-N 370.430 1.929 0 50 FDAA Cc1cc(O)nc([C@@H](C)N2CCN(c3ccc4nnc(C)n4n3)CC2)n1 192574726 QPXGIDDUBXBGIX-GFCCVEGCSA-N 354.418 1.120 0 50 FDAA CS(=O)(=O)c1ccc(CN2CCC(=O)N(CC3CCC3)CC2)cc1 1506404763 ISCCGVNIJCHTOJ-UHFFFAOYSA-N 350.484 1.925 0 50 FDAA CN(Cc1ccccn1)C(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1529172075 HASZUIAWHOWXNR-MOPGFXCFSA-N 366.421 1.566 0 50 FDAA Cc1n[nH]c(C)c1CCCNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 1529171835 DQYLDRPUDSFRSS-MSOLQXFVSA-N 356.426 1.332 0 50 FDAA Cc1ccc(F)c(C(=O)N[C@]2(C)CCOC3(CCNCC3)[C@H]2O)c1F 1704304397 MZMYGYWOVQFRRL-DLBZAZTESA-N 354.397 1.665 0 50 FDAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc(C(F)(F)F)nc3)C[C@H]2O)n[nH]1 1704280189 RWIXBNQDZMPBPA-DGCLKSJQSA-N 354.332 1.808 0 50 FDAA Cc1sc2ncnc(N[C@@H]3COC[C@H]3CS(=O)(=O)N(C)C)c2c1C 1704313539 QMFDLIGLBYMOKG-NWDGAFQWSA-N 370.500 1.626 0 50 FDAA CN(C)Cc1ccccc1C(=O)N1CC[C@H]2[C@H](CCC(=O)N2CCN)C1 215249736 BPLCUPISAJJQGN-AEFFLSMTSA-N 358.486 1.160 0 50 FDAA COC(=O)c1ccc(-c2noc(CN3CCC[C@H](CNC(C)=O)C3)n2)cc1 12744925 NXHPZQGPKHFVEB-CQSZACIVSA-N 372.425 1.871 0 50 FDAA O=C(C[C@@H]1C(=O)N=C2Nc3ccccc3N21)Nc1ccc2c(c1)OCCO2 13721371 GTKMCCPWTAFTLI-CQSZACIVSA-N 364.361 1.983 0 50 FDAA CC(C)[C@@H]1NC(=O)[C@H]2CN(C(=O)c3cccc4ccccc34)CCN2C1=O 14530535 TVODVLOLWPTLSZ-MSOLQXFVSA-N 365.433 1.647 0 50 FDAA COCCN1C(=O)N(C)C(=O)C12CCN(Cc1ccc(C)s1)CC2 14747513 PRYRKOLPBSXJMT-UHFFFAOYSA-N 351.472 1.932 0 50 FDAA CCN1CCN(C2(C(=O)NCc3ccccn3)Cc3ccccc3C2)CC1 19731177 BBUPUEKRQZJTMK-UHFFFAOYSA-N 364.493 1.873 0 50 FDAA CCc1cc(N2C[C@@H]3CCOC[C@]3(C(=O)O)C2)nc(N2CCCCC2)n1 1857669735 MSXBZXYUEKRMKJ-IFXJQAMLSA-N 360.458 1.957 0 50 FDAA CC[C@@]12COC(=O)N1CCN(S(=O)(=O)c1ccccc1C(=O)OC)C2 1857670393 LXJPWNOQWJZSIL-MRXNPFEDSA-N 368.411 1.079 0 50 FDAA CCOC(=O)[C@]12COCC[C@H]1CN(C(=O)c1nc3ccccn3c1C)C2 1857709962 AROUIGSGJGOCCZ-IFXJQAMLSA-N 357.410 1.685 0 50 FDAA Cc1nn(C(C)C)c(C)c1CN1C[C@H]2[C@H](N(C)C)CS(=O)(=O)[C@H]2C1 1857689814 LWORUXVZMIHHDD-BBWFWOEESA-N 354.520 1.240 0 50 FDAA C[C@]1(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)CC12CCNCC2 1857690733 QKDUSPFLNNHDQL-MRXNPFEDSA-N 354.447 1.495 0 50 FDAA O=C(CN1CCCCC1=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857738167 UPYNFXKFHXJUTR-FGTMMUONSA-N 357.454 1.330 0 50 FDAA COCCn1nnc([C@@H]2CN(Cc3[nH]c4ccc(C)cc4c3C)CCO2)n1 1875248069 YBTUKQSYCPLUNM-SFHVURJKSA-N 370.457 1.991 0 50 FDAA CCOC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 825198 ODUXJSYEXVKJHM-UHFFFAOYSA-N 355.441 1.655 0 50 FDAA O=C(O)c1ccccc1CN1CCN(S(=O)(=O)c2ccccc2)CC1 326700999 VUICEEPQNOHMGV-UHFFFAOYSA-N 360.435 1.891 0 50 FDAA CC[C@H](C(=O)N1CCn2c(Cc3ccccc3)nnc2C1)N1CCCC1=O 369795632 TZJULVDYKVBIPT-MRXNPFEDSA-N 367.453 1.612 0 50 FDAA O=C(O)[C@@H]1CN(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)CCO1 262913283 CZOJRSNBFUBZQD-NSHDSACASA-N 357.288 1.367 0 50 FDAA C[C@H](C(=O)N[C@@H]1CCN(c2ccccc2)C1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 264370938 AHHMUQCSAVJBGZ-LMSBXDPUSA-N 369.465 1.945 0 50 FDAA C[C@H]1CCN(C(=O)NCc2ccc(N3CCOC3=O)cc2)C[C@@H]1C(=O)O 831033809 JBOXPMCILIRPBC-WFASDCNBSA-N 361.398 1.895 0 50 FDAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@@H](CO)C3)OCC(=O)N1C 2100482874 DTYQFRHCWYZDCX-WVPQZDDBSA-N 372.465 1.655 0 50 FDAA Cc1cnc2nc(C(=O)N(C)C3CCN(c4ccncc4)CC3)nn2c1 2325757113 FVOCRBSFXJKPMI-UHFFFAOYSA-N 351.414 1.569 0 50 FDAA Cn1cc2ccc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)cc2n1 2325758926 CVUJTYYQDRLEES-UHFFFAOYSA-N 356.451 1.834 0 50 FDAA C[C@H]1OC2(CN)CC1(NS(=O)(=O)c1ccc([C@H]3CC3(F)F)cc1)C2 2325778368 VVFCMEVBEPCZRV-CAUURFFESA-N 358.410 1.736 0 50 FDAA COc1cc(CN2CC[C@@H](NC(=O)C[C@H]3C=C[C@@H](N)C3)C2)cc(OC)c1 2325797506 AUUFALJMWVKDDH-USXIJHARSA-N 359.470 1.688 0 50 FDAA CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cccn3cnnc23)cc1 2325879114 IORBLSXKRQQOFU-UHFFFAOYSA-N 359.411 1.668 0 50 FDAA C=CC(=O)N1CCC(C(=O)Nc2ccc3[nH]c(C(=O)NC)cc3c2)CC1 2325883917 FOVUCFXKBJFEBL-UHFFFAOYSA-N 354.410 1.891 0 50 FDAA O=C1CC[C@@H](NC(=O)c2c3c(nc4ccc(F)cc24)CCCC3)C(=O)N1 1857798072 MMNPCOXVHZRPFD-OAHLLOKOSA-N 355.369 1.788 0 50 FDAA CCOc1ccc(N(CC(=O)NCc2ccco2)S(C)(=O)=O)cc1 839892 MKPFINNOONHUFQ-UHFFFAOYSA-N 352.412 1.761 0 50 FDAA Cc1cc(C)n(-c2ccc(C(=O)N3CCC4(CC3)CNC(=O)CO4)cc2)n1 2356134481 OWNPHWKPXIWPEW-UHFFFAOYSA-N 368.437 1.610 0 50 FDAA CS(=O)(=O)N(CC[C@H]1COCCO1)c1cccc(N2CCCC2=O)c1 2356136815 KYGANVJOQFNSJV-INIZCTEOSA-N 368.455 1.385 0 50 FDAA COC(=O)[C@@]12COC[C@@H]1CN(C(=O)Cn1c(C3CC3)nc3ccccc31)C2 2356169967 OJSYALNAVPLCNE-XOBRGWDASA-N 369.421 1.562 0 50 FDAA CCOC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1 4502957 HJZWFWFBUCUJID-HNNXBMFYSA-N 374.437 1.850 0 50 FDAA COCc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)s1 4502967 UFVIVPSJPZVFPC-JTQLQIEISA-N 362.411 1.685 0 50 FDAA COC(=O)c1ccc2c(=O)n(NC(=O)c3cccs3)c(S)nc2c1 8970465 VNXQHTCZTSZASV-UHFFFAOYSA-N 361.404 1.917 0 50 FDAA O=C(O)COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1 1533380 MXWICZOXPUWAHY-HNNXBMFYSA-N 361.394 1.558 0 50 FDAA in-vitro CN(Cc1nc2c(s1)CCCC2)C(=O)C[C@@H]1C(=O)N(C)C(=O)N1C 65382410 GGVFVZUYLNOLMP-LLVKDONJSA-N 350.444 1.263 0 50 FDAA Cc1ccc(C)c([C@H](C)NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)c1 67629524 NXWPZGRWQAUDLF-HNNXBMFYSA-N 367.515 1.999 0 50 FDAA CCn1c([C@@H]2CCCN(C(=O)COc3ccc4c(c3)OCO4)C2)n[nH]c1=O 67842057 VXTUGJCMYGMKTR-GFCCVEGCSA-N 374.397 1.105 0 50 FDAA COc1ccccc1-n1c(SCC(=O)O)nnc1[C@@H]1CC(=O)N(C)C1 67956167 SVRWOHFDFDGDQP-SNVBAGLBSA-N 362.411 1.398 0 50 FDAA COCCN(C)C(=O)[C@H]1C[C@@H](C(=O)O)N(C)[C@H]1c1cccc(F)c1F 67740517 STWAMAQHNGAOTQ-WHOFXGATSA-N 356.369 1.516 0 50 FDAA CCCCN(C)C(=O)c1nc2ccccn2c1CN[C@@H](C)Cn1cncn1 12445369 PQEIVPONLNZITJ-HNNXBMFYSA-N 369.473 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CCCC1(O)CCN(C(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)CC1 489952720 MUOBVIUVFVPMIY-UHFFFAOYSA-N 354.472 1.718 0 50 FDAA Cc1nc2c(C(=O)N3CCO[C@H](CN4CCN(C)CC4)C3)cccc2o1 369410999 YTGOEXJJPNZLOV-OAHLLOKOSA-N 358.442 1.225 0 50 FDAA O=C(CN1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1ccc(F)cc1F 35802364 WLWAKCJBMWFQDL-HNNXBMFYSA-N 353.369 1.227 0 50 FDAA Cc1cc(C(=O)N2CCC[C@H](c3nnc(CN4CCCC4)n3C)C2)n(C)n1 72476643 NQHOGJKCQOWXKT-HNNXBMFYSA-N 371.489 1.473 0 50 FDAA O=C(NCCCCO)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71765318 ILBKISUERDPJDK-LJQANCHMSA-N 374.529 1.647 0 50 FDAA Cn1c(O)ncc(C(=O)N[C@H](CC(=O)O)c2ccc(C(C)(C)C)cc2)c1=O 262476741 CSWAALZQGFRWFB-CQSZACIVSA-N 373.409 1.729 0 50 FDAA C[C@@H](Sc1nc(=O)c2ccccc2[nH]1)C(=O)N(C)CCc1ncon1 214963250 FXUGXQTUBZUQHR-SNVBAGLBSA-N 359.411 1.488 0 50 FDAA COc1ccc(CCN2C[C@H](NC(=O)CN3CCC(C)CC3)CC2=O)cc1 72158365 JRFUMIMCULQDEM-GOSISDBHSA-N 373.497 1.687 0 50 FDAA Cn1c(CN2CCC(O)CC2)nnc1C1CCN(c2nccs2)CC1 77470693 FFUIWFQCNADPMD-UHFFFAOYSA-N 362.503 1.612 0 50 FDAA 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O=C(NCc1ccc2sccc2c1)N(CCO)[C@@H]1CCS(=O)(=O)C1 426401863 LVPKQBYKOAWCHN-CQSZACIVSA-N 368.480 1.592 0 50 FDAA CCC[C@@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C[C@H]1NC(C)=O 82157853 AFXTVLWODFXDJS-TZMCWYRMSA-N 373.375 1.630 0 50 FDAA O=C(NCCN1CCOCC1)N1CCC[C@@H](COc2cccc(F)c2)C1 426506582 IJRUDCBPPMYXBS-MRXNPFEDSA-N 365.449 1.958 0 50 FDAA Cc1nc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)cs1 95498440 DQNQXCONBHXGEV-WBVHZDCISA-N 366.531 1.302 0 50 FDAA CC(=O)N1CC[C@]2(O)CCN(C(=O)CCCc3ccc(F)cc3)C[C@@H]2C1 91965399 MHXVYLFNAVQPDK-PXNSSMCTSA-N 362.445 1.980 0 50 FDAA Cc1ccccc1CNC(=O)N1CCC2(CC1)[C@@H](C(=O)O)CC(=O)N2C 91656392 HQKAGUABGDCOQE-OAHLLOKOSA-N 359.426 1.602 0 50 FDAA O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCC(c2cc(=O)[nH]cn2)CC1 97675509 GYOYMIPURMWGRM-CQSZACIVSA-N 358.442 1.267 0 50 FDAA O=C(N[C@H]1CCN(c2ccccc2F)C1)N1CCc2n[nH]c(=O)cc2C1 293478796 RBRPMPMCZGOFOQ-ZDUSSCGKSA-N 357.389 1.256 0 50 FDAA COCCN(Cc1cccc(OC)c1)C(=O)[C@H]1CSC(C)(C)C(=O)N1 97679914 HILIVOKLFKDRNQ-OAHLLOKOSA-N 366.483 1.680 0 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373.375 1.195 0 50 FDAA CCOC(=O)c1cnc2c(c(C)nn2C)c1N1CC[C@H](n2cncn2)C1 1875263035 JPFHYWVFLOCNGQ-LBPRGKRZSA-N 355.402 1.496 0 50 FDAA CC(C)c1c[nH]nc1C(=O)N1C[C@@H](C)[C@@H](NC(=O)c2ccncc2F)C1 1875345440 XTNKJHZKYYHNCL-ABAIWWIYSA-N 359.405 1.958 0 50 FDAA O=S(=O)(NS(=O)(=O)c1cnc2ccsc2c1)c1ccc(O)cc1 1875332734 HSZFLDZDEPYCRI-UHFFFAOYSA-N 370.433 1.669 0 50 FDAA O=C1CCC[C@H](C(=O)N2CCC[C@@H]2CNc2cnc3ccccc3n2)N1 1875326929 LSNCMEXBCFDDOP-CZUORRHYSA-N 353.426 1.701 0 50 FDAA CC(C)[C@@H]1N(C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cc(O)nc(C3CC3)c1)C2 888094978 OLYGTYKVRGXBRE-HBXLWWENSA-N 359.470 1.874 0 50 FDAA O=C1CCc2cc(OCCNC(=O)N3C[C@H]4[C@H]5C=C[C@@H](O5)[C@H]4C3)ccc2N1 888102548 YUNJWKYFRGJDTG-CYGHRXIMSA-N 369.421 1.545 0 50 FDAA O=C(N[C@H]1CCN(Cc2cscn2)C[C@@H]1O)c1noc2c1CCCC2 1565508190 HDSKAGPBXDHNHQ-KBPBESRZSA-N 362.455 1.375 0 50 FDAA CCn1nc(C)c(CN2CC[C@H](NC(=O)c3cc(C)on3)[C@@H](O)C2)c1C 1565507188 OAOWJHXFZCSEGY-RDJZCZTQSA-N 361.446 1.181 0 50 FDAA 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1.012 0 50 FDAA Cc1ccc(C(=O)O)cc1CNC(=O)CN1CCC[C@H](c2nccn2C)C1 82133405 DETYUHGHCRCZKZ-INIZCTEOSA-N 370.453 1.923 0 50 FDAA COc1ccccc1CN1CCN(C(=O)N[C@@H](C)c2n[nH]c(C)n2)CC1 426674063 KXLANRGYBKSNPB-ZDUSSCGKSA-N 358.446 1.710 0 50 FDAA COc1cccc(CN2CCn3nc(CNC(=O)N(C)C)cc3C2)c1OC 82170659 FYJOKMYRSYYXBH-UHFFFAOYSA-N 373.457 1.687 0 50 FDAA CN1C[C@@]2(CCCN(Cc3cc(=O)c4cc(C(N)=O)ccc4[nH]3)C2)OC1=O 91745975 QVRRKXDXVWVDQS-LJQANCHMSA-N 370.409 1.044 0 50 FDAA O=C(Nc1cccc2cccnc12)N1CCCN([C@H]2COC[C@@H]2O)CC1 97217591 SJPOIMAEWVSJTG-IRXDYDNUSA-N 356.426 1.534 0 50 FDAA COCCn1cnnc1CN(C)C(=O)[C@H](C)c1nnc(O)c2ccccc12 426429806 MUCQERSZKMTGSO-GFCCVEGCSA-N 370.413 1.335 0 50 FDAA CNc1cc(C)nc(N2CCC(c3nnc(Cn4cccn4)n3C)CC2)n1 91848690 XJHCZIGAIXUZDF-UHFFFAOYSA-N 367.461 1.584 0 50 FDAA Cn1cncc1CN1CCC2(CCN(C3CCOCC3)CC2)[C@@H](CO)C1 97717217 WIYUQMVJMPZANO-QGZVFWFLSA-N 362.518 1.496 0 50 FDAA Cc1c(NC(=O)N[C@@H](C)c2n[nH]c(=O)[nH]2)cccc1C(=O)NC(C)(C)C 96140301 HQTSEBORVZZVDD-JTQLQIEISA-N 360.418 1.817 0 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Cc1ccc(-c2cc(C(=O)N3CCN(CCn4cncn4)CC3)[nH]n2)o1 91624549 QAKKDOAMWHOOQX-UHFFFAOYSA-N 355.402 1.028 0 50 FDAA CN(Cc1noc2c1CCCC2)C(=O)Cn1c(=O)cnc2ccccc21 95523093 QSJBWOUTPPHGME-UHFFFAOYSA-N 352.394 1.922 0 50 FDAA CC[C@@H](C(=O)Nc1nccs1)N1CCN(c2ncccc2C(N)=O)CC1 244659555 HETVWDVVVCOEJF-ZDUSSCGKSA-N 374.470 1.176 0 50 FDAA CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)[C@H]2C[C@@H]2C(=O)O)cc1 299748192 GKEYPWMXTSIONH-KBPBESRZSA-N 353.440 1.595 0 50 FDAA O=C(NCCCn1cccn1)c1nnn2c1CO[C@@H](c1ccccc1)C2 263615899 FUUNNBVDNHULCP-MRXNPFEDSA-N 352.398 1.566 0 50 FDAA C[C@@H]1Cc2cc(CNC(=O)N3CCN(CCn4cncn4)CC3)ccc2O1 534673079 RGZZXTXUDHVBDS-OAHLLOKOSA-N 370.457 1.129 0 50 FDAA O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCc1ccc2c(c1)OCO2 263585307 HDYCSGMNRWFTNH-ZDUSSCGKSA-N 371.349 1.135 0 50 FDAA biogenic CC(C)Oc1ccc(NC(=O)N2CCNC(=O)[C@H]2CCO)cc1Cl 299787289 WBDPBJUAJNULNR-CYBMUJFWSA-N 355.822 1.842 0 50 FDAA CCn1c(C)cc2cc(NC(=O)NCCS(=O)(=O)N(C)C)ccc21 299784087 YUXOFQJIFUDTQA-UHFFFAOYSA-N 352.460 1.983 0 50 FDAA CCO[C@H]1COC[C@@H]1NC(=O)N1CCCOc2c(cccc2OC)C1 584887916 IFUYQCZNCWSPIX-HOCLYGCPSA-N 350.415 1.793 0 50 FDAA COc1cccc2c1OC[C@@H](NC(=O)c1cc(=O)n(-c3ccccc3)[nH]1)C2 670471691 PQOZCZGRVXJWHE-AWEZNQCLSA-N 365.389 1.908 0 50 FDAA O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)C1CC(F)(F)C1 1875264666 IXDCAKJNZSGDQQ-UHFFFAOYSA-N 374.409 1.369 0 50 FDAA C[C@@]1(c2ccc(C(=O)N[C@@H]3COC4(CCCCC4)C3)cc2)NC(=O)NC1=O 1875302563 WOMHSLIATYIDEC-KXBFYZLASA-N 371.437 1.963 0 50 FDAA CC[C@@H](O)c1cn(C2(C(=O)N3CCO[C@H](c4ccccc4)C3)CC2)nn1 1875318203 PEMLCUHZONLQFM-SJORKVTESA-N 356.426 1.811 0 50 FDAA C=CC(=O)N1CC(F)(F)C[C@H]1CNC(=O)[C@H]1CCc2nc(C)ncc2C1 1875389294 JBIVKHDLHVDVDC-JSGCOSHPSA-N 364.396 1.428 0 50 FDAA Cn1cc(C(=O)C[C@H]2CCCN2C(=O)c2ccc(CNC(N)=O)cc2)cn1 269413289 GTZBYGGWHBFMOA-MRXNPFEDSA-N 369.425 1.466 0 50 FDAA O=C(O)C1([C@H](O)CN2CCN(c3cccc(Cl)c3)CC2)CCOCC1 1875305984 OQODGPXXYWDZHQ-MRXNPFEDSA-N 368.861 1.704 0 50 FDAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1ccc(-n2cnnc2)cc1 1875402738 LZMBQLOAMIZFTM-IAOVAPTHSA-N 352.398 1.033 0 50 FDAA CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)c2nccn3ccnc23)C1 886035481 YVQGGJZHYGBYEQ-DZGCQCFKSA-N 353.382 1.433 0 50 FDAA COc1cc(S(=O)(=O)N2C[C@H](OC)C[C@@H]2c2ncc[nH]2)ccc1F 888077645 NFFYEJLCBYCXBP-ZWNOBZJWSA-N 355.391 1.708 0 50 FDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2ccc(-c3ncn(C)n3)cc2)C1 888077518 GHTOXJLDCUSIRF-HUUCEWRRSA-N 352.398 1.807 0 50 FDAA COc1ccc(Cl)cc1Cc1noc([C@]2(N)CCN(C(C)=O)C2)n1 888078073 LSQCWZPLBXAGCI-INIZCTEOSA-N 350.806 1.729 0 50 FDAA CCCc1cnc(C)nc1N1CC[C@H](NC(=O)c2ccccn2)[C@@H](O)C1 1565511474 ZZYRUAFKEWEGCX-RDJZCZTQSA-N 355.442 1.502 0 50 FDAA CCc1ncc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2cnccn2)C3)cn1 1565510326 TVNZGBIVFSGIRE-HIFRSBDPSA-N 366.425 1.206 0 50 FDAA COc1ccccc1Oc1ccc(NC(=O)N[C@H]2CNCC[C@@H]2O)cn1 1565528990 SIHYYPUPRNAAFM-KBPBESRZSA-N 358.398 1.727 0 50 FDAA COc1ccc(CC(=O)N2CC[C@H](NC(=O)c3ccccc3)[C@@H](O)C2)cc1 1565508872 YTIGDKYHYORRPX-OALUTQOASA-N 368.433 1.630 0 50 FDAA Oc1nccnc1N1CCC[C@H](NCc2ccccc2N2CCOCC2)C1 275622764 RUQOLSIROMPTRQ-KRWDZBQOSA-N 369.469 1.777 0 50 FDAA CN(CC1(c2ccccc2)CC1)C(=O)CN(C)c1ncnc2nc[nH]c12 186755625 IERGQMKXKFZTRH-UHFFFAOYSA-N 350.426 1.979 0 50 FDAA C[C@H](CN1CCOCC1)NS(=O)(=O)Cc1ccc(Cl)c(F)c1 170606680 KFLQEXSZBNLCDP-LLVKDONJSA-N 350.843 1.619 0 50 FDAA COC[C@@H]1CCCN(S(=O)(=O)N2Cc3cnc(C(C)(C)C)nc3C2)C1 1506407507 JSYQRWUNGDGBEQ-CYBMUJFWSA-N 368.503 1.693 0 50 FDAA CCc1c(C)nn(C)c1NC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1 1506415224 AEWNKWFQWQZFMO-KRWDZBQOSA-N 369.469 1.620 0 50 FDAA COc1ccc(F)cc1[C@H](C(=O)O)N1CCN(C2CCOCC2)CC1 1529142182 GYHVJJWXRIFZNP-QGZVFWFLSA-N 352.406 1.757 0 50 FDAA CC(C)N1C(=O)CO[C@H](C(=O)NCCn2cccc2)[C@H]1c1ccccc1 1529174280 SQLAPKYBESPJGQ-MOPGFXCFSA-N 355.438 1.981 0 50 FDAA Cn1cc(Cl)c(C(=O)N2CCCN(CCc3nccn3C)CC2)n1 1704349980 JEIWCAWXOGKGKZ-UHFFFAOYSA-N 350.854 1.198 0 50 FDAA O=C(c1cc(F)cc(F)c1)N1CC[C@H]2[C@H](CCC(=O)N2CCCO)C1 215053870 AAVIIBBWXVEXEN-WBMJQRKESA-N 352.381 1.800 0 50 FDAA O=C1CCCCN1CCCC(=O)N1CCCN(C[C@H]2CCOC2)CC1 1772819655 YHJJEPDTUUXWPI-QGZVFWFLSA-N 351.491 1.350 0 50 FDAA O=C(NCc1cccn2nccc12)c1cn(CC[C@H]2CCCCN2)nn1 1772816570 VPRDRRJKVUPMOC-OAHLLOKOSA-N 353.430 1.388 0 50 FDAA CCc1ccccc1CN1C[C@@H]2CN(C(=O)C3(N)CCCC3)C[C@]2(CO)C1 1772806222 WNZBABZGQFVDFS-CTNGQTDRSA-N 371.525 1.773 0 50 FDAA O=C(Cc1ccsc1)N1CCCN(C(=O)c2ccc3nn[nH]c3c2)CC1 1772703326 WQKGPTSKMRCOBA-UHFFFAOYSA-N 369.450 1.937 0 50 FDAA COCCN1C(=O)N(C(C)C)C(=O)C12CCN(Cc1cnn(C)c1)CC2 14733765 IQXJNCWGLLDRKS-UHFFFAOYSA-N 363.462 1.074 0 50 FDAA O=C(NC[C@@H]1CCCN(C(=O)CCN2CCCO2)C1)c1ccc(F)cc1 14952056 AIDGQFWPVVHTGI-HNNXBMFYSA-N 363.433 1.822 0 50 FDAA Cc1cccc(N2CCN(CC(=O)N[C@H]3C[C@H]4CO[C@@H](C)CN4C3)CC2)c1 1857738270 ZKVJHANGUOTCSP-BJLQDIEVSA-N 372.513 1.095 0 50 FDAA CC[C@H](O)CN1CCN(C(=O)c2cc(N3CCCC3=O)ccc2F)CC1 119323522 CHCUEAMRBRTPDO-HNNXBMFYSA-N 363.433 1.481 0 50 FDAA COc1cc(C)c(S(=O)(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)cc1C 331241927 PGIJPYGBZFZOOZ-GFCCVEGCSA-N 354.428 1.126 0 50 FDAA Cc1ccc(C)c(CCNC(=O)[C@@H]2CNC[C@@H](C(=O)N3CCOCC3)C2)c1 248103085 OKGZIRMFWALJKN-OALUTQOASA-N 373.497 1.047 0 50 FDAA OCCN1CCN(C[C@@H](O)COCC23CC4CC(CC(C4)C2)C3)CC1 20725808 REAYPUUMJYMKRY-WFRNDULYSA-N 352.519 1.190 0 50 FDAA O=C(O)[C@H]1CN(C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)CCO1 262109743 NZPHMTNVHHMVRR-OAHLLOKOSA-N 367.423 1.329 0 50 FDAA CN(CC(=O)Nc1cccnc1)C[C@@H](O)COCc1ccc2c(c1)OCO2 2325732154 ZIYUNABZMGUOLQ-MRXNPFEDSA-N 373.409 1.258 0 50 FDAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1ccnc(-n2ccnc2)c1 2325785725 KTYYNKOFLXRLKC-NUEKZKHPSA-N 352.398 1.033 0 50 FDAA O=C1[C@H](NC(=O)[C@H]2C[C@@](F)(CO)C2)CCN1c1ccc(F)c(Cl)c1 2325805528 OVQNHPNIOSSNBF-HDIHMHJESA-N 358.772 1.811 0 50 FDAA N[C@@H](CO)CNC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 2325822304 PQXOVTJWSOCLFC-GFCCVEGCSA-N 363.805 1.428 0 50 FDAA COc1ccc([C@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)C(=O)O)cc1F 2325877171 LHEGMYYVKACVIH-BONVTDFDSA-N 362.361 1.010 0 50 FDAA COCCN1CCC[C@@]2(CCCN2C(=O)Cc2csc(C)n2)C1=O 2356165498 BOZNBOCETMFEBM-QGZVFWFLSA-N 351.472 1.624 0 50 FDAA CCOC(=O)c1sc(NC(=O)CSc2nc(N)cc(N)n2)nc1C 2994363 BLRWPERSMQWHTE-UHFFFAOYSA-N 368.444 1.313 0 50 FDAA CCOC(=O)c1ccc(NC(=O)C[C@@H]2N[C@H]3CCCC[C@H]3NC2=O)cc1 4503964 VLIXPVZDBZWYJY-XHSDSOJGSA-N 359.426 1.591 0 50 FDAA Nc1nccnc1C(=O)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 225502831 NXMIPLYWKCXTFT-MRVPVSSYSA-N 356.308 1.914 0 50 FDAA Cc1cccc(C)c1N[C@@H](C)C(=O)N1CCC(NS(C)(=O)=O)CC1 55073508 QKBZKDILFVXWRE-AWEZNQCLSA-N 353.488 1.644 0 50 FDAA Cc1nnc(C(=O)N2CCC[C@@H](c3nn(C)c(=O)n3-c3ccccc3)C2)o1 67473350 XYKIELGAFODIIC-CYBMUJFWSA-N 368.397 1.282 0 50 FDAA O=c1[nH]c(N2CCC[C@H](c3nc4ccccc4[nH]3)C2)nc2c1CCNCC2 67947510 BCHUJQXRZMUDTG-ZDUSSCGKSA-N 364.453 1.718 0 50 FDAA CN(Cc1cc(-c2ccccn2)no1)C(=O)c1cc2n(n1)CCCNC2 65372112 LWHNDJMJLAKKKQ-UHFFFAOYSA-N 352.398 1.699 0 50 FDAA Cc1nc2cc(OCc3nc(C(=O)NC[C@@H](O)CO)co3)ccc2s1 67883801 HELNVVLPTDHYDJ-SNVBAGLBSA-N 363.395 1.255 0 50 FDAA O=C(Cc1ccoc1)N1CCC[C@@H](n2ncc(N3CCOCC3)cc2=O)C1 328608514 ZFFPVXBBKJMRNA-MRXNPFEDSA-N 372.425 1.079 0 50 FDAA CN(CCOCCO)C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 282296371 ZOMFPTLHNRLUJY-UHFFFAOYSA-N 368.231 1.920 0 50 FDAA COCCN(C)CCN1CC2(CCN([C@H]3CCSC3)CC2)OC1=O 72418119 YTJNBCGAIVIVKV-HNNXBMFYSA-N 357.520 1.357 0 50 FDAA Cc1ccc(O)c(CN2CC[C@@H](N(C)Cc3cc(O)nc(N(C)C)n3)C2)n1 328631108 KAWDRCHTFQPQNZ-OAHLLOKOSA-N 372.473 1.364 0 50 FDAA Cc1cc(CS(=O)(=O)N[C@H]2CCO[C@@H]2c2ccnn2C(C)C)on1 328987807 RNIUVHCSYBOPFH-ZFWWWQNUSA-N 354.432 1.710 0 50 FDAA Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)c2cnn3ccn(C)c23)cn1 219771085 RXYHCRHGNXAGIZ-CVEARBPZSA-N 355.398 1.343 0 50 FDAA C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCC(CC(N)=O)CC1 124898764 RRZVBNIAXXCIIH-APWZRJJASA-N 372.513 1.353 0 50 FDAA O=C(CN1CCn2nc([C@H](O)C3CC3)cc2C1)N1CCc2ccccc21 218839523 PXLZTTINVQWUCS-HXUWFJFHSA-N 352.438 1.731 0 50 FDAA O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@H](NCCc2cccc(F)c2)C1 72173709 KIVMDCFTAFMGFQ-QZTJIDSGSA-N 364.442 1.392 0 50 FDAA CC(=O)N[C@@H](CC(=O)N1CCNC[C@H]1C)c1ccc(Br)cc1 125248166 JEJNSOVTKPWRRR-ABAIWWIYSA-N 368.275 1.837 0 50 FDAA CC[C@H](C(=O)OC(C)(C)C)N1CC[C@H](N(C)Cc2cc(O)nc(N)n2)C1 481761009 MEOFMPAKCHPJMK-UONOGXRCSA-N 365.478 1.391 0 50 FDAA Cc1cc(C(=O)N[C@@H]2CCc3ccccc3C2)c2c(=O)[nH]c(=O)n(C)c2n1 218842740 MKSPOSLTDLQAKS-CQSZACIVSA-N 364.405 1.218 0 50 FDAA O=C([C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)N1CCNCC1 71754416 NHGWSOATVCWLHE-IBGZPJMESA-N 371.529 1.190 0 50 FDAA Cc1cc(=O)nc(S[C@H](C)C(=O)NCc2nnc(-c3ccccc3)o2)[nH]1 215135485 QJDOWGGIPVPRKT-LLVKDONJSA-N 371.422 1.925 0 50 FDAA Cc1nc(N)nc(C)c1CC(=O)N1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1 77354802 JBQSTUVCMQEKDQ-FQEVSTJZSA-N 371.485 1.612 0 50 FDAA CC(=O)N[C@@H]1CN(C2CCN(C(=O)c3ccncc3)CC2)C[C@H]1C(C)C 77387293 ZIUKVOJWCYGYSS-RBUKOAKNSA-N 358.486 1.779 0 50 FDAA CCCc1ccc(CN2CCN(C(=O)NCC)[C@H]3CS(=O)(=O)C[C@H]32)o1 72424153 ZXQLDUKSMJGPHB-CVEARBPZSA-N 369.487 1.245 0 50 FDAA O=C(Cc1c[nH]c2ncccc12)NC[C@@H]1C[C@H](F)CN1c1cccnn1 375693247 OUTVQIZBSXJPTA-KBPBESRZSA-N 354.389 1.629 0 50 FDAA Cc1cc(C)n2nc(C(=O)NCCc3nc(C)c4c(n3)CCCC4)nc2n1 216091444 BWGUWLUNILEEKK-UHFFFAOYSA-N 365.441 1.691 0 50 FDAA COC(=O)CN1CCN(c2nccc(CCC(F)(F)F)n2)[C@H](C)C1=O 71730615 YNFYHEBGWGCXRH-SNVBAGLBSA-N 360.336 1.182 0 50 FDAA COc1ncc(Cl)c(N2CCN(C)[C@H](c3nc(C4CC4)no3)C2)n1 284695103 YINUJWPFKDXJGD-NSHDSACASA-N 350.810 1.892 0 50 FDAA CCOCCn1c(=O)[nH]c2cc(C(=O)NCc3nc(C)cc(C)n3)ccc21 77387371 AGVLYKGJDSLBSI-UHFFFAOYSA-N 369.425 1.703 0 50 FDAA CCc1nccn1CC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCCOC)C1 72432809 ASWCGBVSGVPGSZ-JKSUJKDBSA-N 362.474 1.322 0 50 FDAA Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)cc1F 284923750 HKYVRRQKUCOBEU-CABCVRRESA-N 355.435 1.699 0 50 FDAA CN(CCn1cccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CC(C)(C)C)C(=O)[C@@H]13)O2 77459126 RZRPFVMBONDOHB-ROYATCLZSA-N 372.469 1.170 0 50 FDAA Cn1cc(C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)ccc1=O 174853049 YCPQVPHBLKUZPA-IBGZPJMESA-N 369.465 1.561 0 50 FDAA CC[C@H](O)c1cc2n(n1)CCN(C(=O)c1cnc3cccc(C)n3c1=O)C2 220587700 LKYPXFYFEXWWNB-INIZCTEOSA-N 367.409 1.299 0 50 FDAA Cn1cc(S(=O)(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)cn1 20044930 URVAZKKVMDBYFS-UHFFFAOYSA-N 372.853 1.719 0 50 FDAA Cc1ccc([C@@H](C)CNC(=O)N2CCO[C@H](CN(C)CC(=O)O)C2)cc1 263317058 ZTVRNCXGBQNAID-DOTOQJQBSA-N 363.458 1.525 0 50 FDAA CCCC[C@H]1CN(c2ccccc2OC)C(=O)CN1C(=O)Cn1cnnn1 82121651 QJYMFWDIWDZCQT-AWEZNQCLSA-N 372.429 1.116 0 50 FDAA O=C(C[C@H]1CCS(=O)(=O)C1)N1CCCN(c2ccc(F)cc2)CC1 82161299 DGVPTNBMIMQWDA-CQSZACIVSA-N 354.447 1.689 0 50 FDAA C[C@](O)(CNC(=O)c1cnc(-c2ccccn2)s1)CN1CCOCC1 176481105 UQHXBYKLHJANMY-KRWDZBQOSA-N 362.455 1.018 0 50 FDAA Cc1cc(O)cc(=O)n1CC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 176787426 OQRMNPCKZCXBDE-AWEZNQCLSA-N 359.401 1.644 0 50 FDAA COCCN1CCN(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)CC1 194449509 AHWXEQKOABPPAU-LJQANCHMSA-N 360.502 1.482 0 50 FDAA CS(=O)(=O)NCc1cc2n(n1)CCN(Cc1ccc(F)c(Cl)c1)C2 426438666 MALYQRVAUIABJK-UHFFFAOYSA-N 372.853 1.741 0 50 FDAA O=c1cc(CN2CCC[C@H](c3nccn3Cc3ccccc3)C2)[nH]c(=O)[nH]1 82170577 UHKCIEHOXKAKFX-INIZCTEOSA-N 365.437 1.688 0 50 FDAA COc1cccc(OC2CN(C(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)C2)c1 220524302 YLIXNRPZVCRJQV-UHFFFAOYSA-N 367.361 1.128 0 50 FDAA Cn1ccn2ncc(C(=O)N[C@@H]3CCOC[C@H]3Oc3cccc(F)c3)c12 222364901 VUZPWQWNKIGQQD-HZPDHXFCSA-N 358.373 1.778 0 50 FDAA CCCn1cnnc1CN(C)C(=O)NCCc1nc(-c2cccnc2)no1 426491538 MYRHDXXBIYLMLA-UHFFFAOYSA-N 370.417 1.517 0 50 FDAA CCCc1cc(C(N)=O)c(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)s1 225755762 UHCVYUMZZUAAFU-KKOKHZNYSA-N 352.412 1.616 0 50 FDAA CCc1noc(CN(CC)c2cc([C@@H]3CCOC3)nc(N3CC(O)C3)n2)n1 426410407 BVENQOFARWBPDF-GFCCVEGCSA-N 374.445 1.133 0 50 FDAA CC[C@H](NC(=O)c1cccc(S(=O)(=O)NCCF)c1)c1cnn(C)c1 97492548 DOUJEYFAFVOOJI-HNNXBMFYSA-N 368.434 1.549 0 50 FDAA C[C@@H]1CN(Cc2cc(-c3ncccn3)ccc2OCC(=O)O)CCN1C 97436973 PZAHAAPXTZQAKC-CQSZACIVSA-N 356.426 1.743 0 50 FDAA CC(C)(C)CN1CCC[C@]2(CCN(Cc3cc(=O)n4[nH]cnc4n3)C2)C1 426423401 LIMFNKMUBILLLV-LJQANCHMSA-N 358.490 1.752 0 50 FDAA CS(=O)(=O)NCCC(=O)N1CCC[C@@H](c2nccn2CC2CCC2)C1 95386688 KHYIVSCYDAFUBO-OAHLLOKOSA-N 368.503 1.329 0 50 FDAA CSc1ncc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)n1C 95522164 APHOBSBDEIIUJO-GFCCVEGCSA-N 359.455 1.202 0 50 FDAA Cn1cc(CCCNS(=O)(=O)c2ccc(C(=O)NC3CC3)cc2)cn1 91644018 SVUOKKWGJBFQFM-UHFFFAOYSA-N 362.455 1.223 0 50 FDAA COCCN1CC[C@@]2(CCC1=O)CN(Cc1coc(C)n1)CCN2C 91644479 UTKPOSIPABIJNG-SFHVURJKSA-N 350.463 1.128 0 50 FDAA CCc1cc(N2CCC(N[C@@H]3CCCNC3)CC2)nc(N2CCCC2)n1 95518366 MBLYMQDIBDDQRN-GOSISDBHSA-N 358.534 1.950 0 50 FDAA NC(=O)CN1CC2(CCC1=O)CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)CC2 92028802 RQWFIPDPESTSHL-DLBZAZTESA-N 369.465 1.507 0 50 FDAA COCCNC(=O)c1cccc(NC(=O)N(C)Cc2cnc(N)nc2)c1C 96149764 CSGAGWXBIHRGAC-UHFFFAOYSA-N 372.429 1.407 0 50 FDAA CN1CCC(OCCCNC(=O)Nc2cc(C(N)=O)ccc2F)CC1 97099047 WOLXKZBSKYXAOT-UHFFFAOYSA-N 352.410 1.547 0 50 FDAA Cc1nc([C@H]2CCCN(C(=O)c3ccc(Cn4ccnc4)o3)C2)cc(=O)[nH]1 91755159 WLSOVLFEMCHPDQ-AWEZNQCLSA-N 367.409 1.936 0 50 FDAA O=C(NC[C@@H](O)COc1ccccc1)c1cnc(-c2cccnc2)nc1 95366517 DHJAFFHEASOGJC-MRXNPFEDSA-N 350.378 1.708 0 50 FDAA c1nc(N[C@H]2C[C@@H](c3cc(N4CCOCC4)ncn3)C2)c2nc[nH]c2n1 244874960 XKDSFHSJDSJZEA-TXEJJXNPSA-N 352.402 1.338 0 50 FDAA Nc1nc(N2CCN(Cc3ccc(F)cc3)CC2)cc([C@H]2C[C@@H](N)C2)n1 244602021 DWFAPOKLJNMXLO-FZNQNYSPSA-N 356.449 1.725 0 50 FDAA COc1ccnc(N2CCC3(CCC(=O)N([C@H]4CC[C@H](O)CC4)C3)CC2)n1 247896105 OROQEPCLIHPGKK-WKILWMFISA-N 374.485 1.998 0 50 FDAA CN(Cc1ccco1)C(=O)NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2 534584807 NRASZXBBFPBIKO-UHFFFAOYSA-N 371.441 1.960 0 50 FDAA COc1coc(C(=O)N[C@@H](CCSC)c2nnc3ccccn23)cc1=O 281222881 LVLYDFIWYXOOMC-NSHDSACASA-N 374.422 1.915 0 50 FDAA Cc1ccnc(SCC(=O)N2CCC3(CC2)CN(C)CCCN3C)n1 299758940 MHLXZGAZNLOVQE-UHFFFAOYSA-N 363.531 1.506 0 50 FDAA COCc1cccc(C(=O)NCc2cc3n(n2)CCN(C(=O)C(C)C)C3)c1 299802326 YTFURWIQKJGVDK-UHFFFAOYSA-N 370.453 1.958 0 50 FDAA COc1ccc(C)cc1NC(=O)N1CCCO[C@H](CN2CCOCC2)C1 299792974 HUXJRTKCCDFOIX-MRXNPFEDSA-N 363.458 1.959 0 50 FDAA COc1cccc2c1OC[C@H](NS(=O)(=O)N(C)Cc1ccccc1)C2 824805013 YQJNSGTUOGHAQS-MRXNPFEDSA-N 362.451 1.965 0 50 FDAA Cc1cc(C)n(CCNS(=O)(=O)Cc2ccc(F)cc2F)c(=O)n1 826573103 CZSBZLUXAFIOCA-UHFFFAOYSA-N 357.382 1.258 0 50 FDAA CN(Cc1ccccc1)S(=O)(=O)NCCCN1CCCC[C@H]1CO 828710781 DBATXNIPLDULFN-KRWDZBQOSA-N 355.504 1.190 0 50 FDAA O=C(CCc1cccnc1)NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 828003731 ZLDGIRGOUWKBSJ-CCZBSFLLSA-N 352.442 1.865 0 50 FDAA Cc1nc(O)c2c(n1)CN(C(=O)CCc1c(C)nc3ncnn3c1C)C2 670473478 PVFFZMOCAAKKQK-UHFFFAOYSA-N 353.386 1.020 0 50 FDAA C=CC(=O)Nc1cccc(C(=O)N2CCCC[C@H]2[C@@H]2CCC(=O)NC2=O)c1 1875380235 JCLGCYUPAUBQLP-HOTGVXAUSA-N 369.421 1.859 0 50 FDAA O[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1NCc1ccccc1N1CCOCC1 1875399762 IRFBTUZRWMUPIJ-YVWKXTFCSA-N 356.470 1.649 0 50 FDAA Cc1cc(O)c(C(=O)N2C[C@]3(C)CN(C(=O)C4CCC4)C[C@]3(C)C2)nn1 1875331925 FOLRYEIZKBFEBB-KDURUIRLSA-N 358.442 1.601 0 50 FDAA Cc1cc(CC(=O)N[C@@]2(C)CCN(C(=O)C3(F)CCOCC3)C2)on1 1875327718 HXNOIUNLACUVFV-INIZCTEOSA-N 353.394 1.151 0 50 FDAA Cc1cccc(N2CC[C@@H](NC(=O)[C@@]34CNC[C@]3(C(F)(F)F)C4)C2=O)c1 1875392356 CPJFUAUPAVMZKR-KBRIMQKVSA-N 367.371 1.759 0 50 FDAA Cc1nn(C)cc1CN[C@@H]1CCN(c2nc(C(=O)N(C)C)nc(C)c2C)C1 1875397381 YBWBFBVCCJBWBW-MRXNPFEDSA-N 371.489 1.206 0 50 FDAA Cn1ncc2nc(O)c(C(=O)Nc3ncc([C@@H]4CCCCN4)cn3)cc21 1875361321 XJJUEQJERLZKQV-LBPRGKRZSA-N 353.386 1.531 0 50 FDAA C[C@H](NC(=O)CN(CCN)Cc1ccccc1)c1cnc2n1CCCC2 1875292952 XPJLEXFKWRZYAR-INIZCTEOSA-N 355.486 1.858 0 50 FDAA COc1cccc(N2CCC[C@@H](NC(=O)Cn3cc(Cl)cn3)C2=O)c1 952845657 AECNACNYTRLVRW-OAHLLOKOSA-N 362.817 1.857 0 50 FDAA Cc1noc([C@@]23CCN(C)C[C@@H]2CN(Cc2ccnn2CC2CC2)C3)n1 952848962 DGHFNSTXKRMTGN-VQIMIIECSA-N 356.474 1.690 0 50 FDAA CN(C[C@H]1OCC[C@H]1c1nc[nH]n1)S(=O)(=O)c1ccccc1Cl 952889408 BXEYLUCBJHDJFY-ZYHUDNBSSA-N 356.835 1.651 0 50 FDAA CO[C@@H]1C[C@H](CNC(=O)c2cccc3c[nH]nc23)N(c2ccncn2)C1 952887226 LCJORVNRIVJEGQ-ZIAGYGMSSA-N 352.398 1.377 0 50 FDAA COc1ccccc1CN1C[C@H](C(=O)N(C)Cc2c[nH]nc2C)CC1=O 952977377 CFSXBWLXBZRBLD-OAHLLOKOSA-N 356.426 1.734 0 50 FDAA Cc1ccc(O)c(CN[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2nccn2C)n1 886085488 RDTJWKJZNAVDQQ-RDTXWAMCSA-N 355.442 1.813 0 50 FDAA CCN1CCO[C@@H](CNc2ncnc(N)c2Cl)[C@@H]1c1nccn1C 886081912 FHWPAZQKCLHLNY-CMPLNLGQSA-N 351.842 1.320 0 50 FDAA Cc1cnc(COCC(=O)N[C@@H]2C[C@@]3(C[C@H]2O)CN(C)[C@H]3C(C)C)o1 888094643 GSOMCGDXLSQWCE-KJWYOANISA-N 351.447 1.096 0 50 FDAA O=C(N[C@H]1CCOC[C@@H]1OCc1ccccn1)c1cnc2cccnn12 1565512243 LOFFMSGYJJBFPF-HOCLYGCPSA-N 353.382 1.228 0 50 FDAA O=C(CCn1ccccc1=O)N[C@H]1COCC[C@@H]1OCc1ccccn1 1565513808 ZARUJPBNVQAZEJ-IRXDYDNUSA-N 357.410 1.124 0 50 FDAA C[C@H](NC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)C1=CCN(C)CC1 273071612 ZQBWWJURLFLSET-HNNXBMFYSA-N 374.460 1.944 0 50 FDAA CC[C@@H](C)OCC(=O)N1CC[C@H](N(C)Cc2cc(O)nc(N(C)C)n2)C1 276561922 SPUMBPIOYFTMGE-HIFRSBDPSA-N 365.478 1.096 0 50 FDAA C[C@@H]1OCC[C@@]1(O)CNS(=O)(=O)c1cccc(OC(F)(F)F)c1 278863850 YADODROWXGVUDK-JOYOIKCWSA-N 355.334 1.403 0 50 FDAA O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1cn[nH]c1 192910729 UQWJQBVTXXSTAS-UHFFFAOYSA-N 357.414 1.335 0 50 FDAA O=C1CCN(C[C@H]2CCOC2)CCN1Cc1noc(-c2ccccc2)n1 1506423462 ILYYKXOELGALMP-OAHLLOKOSA-N 356.426 1.807 0 50 FDAA O=C(O)COc1ccccc1CN1CCCN(C(=O)c2cccnc2)CC1 1529144233 UQEREWPQZDPHIZ-UHFFFAOYSA-N 369.421 1.893 0 50 FDAA Cc1cccnc1C(=O)N1CCCN(Cc2cn(CCO)nc2C)CC1 1529118679 ODSLEOHOOAUHLX-UHFFFAOYSA-N 357.458 1.235 0 50 FDAA Cc1cc(C[C@@H]2CN(C(=O)Cc3cc(F)c(F)c(F)c3)C[C@H]2O)n[nH]1 1529169301 UNOYISUJLQRGOR-IAQYHMDHSA-N 353.344 1.740 0 50 FDAA COc1ccc([C@H]2CN(C(=O)CCCn3cncn3)C[C@@H]2NC(C)=O)cc1 216356215 CVLOYYXTWVSFDF-MSOLQXFVSA-N 371.441 1.198 0 50 FDAA O=C(O)c1n[nH]c2c1CN(C[C@H]1CN(Cc3ccccc3)CCCO1)CC2 1602567317 OSOIFESSMMDEDB-MRXNPFEDSA-N 370.453 1.757 0 50 FDAA Cc1nnc(CN2CCCN(C(=O)c3ccc4nccnc4c3)CC2)o1 1772704930 URGMLLSZBYBHHH-UHFFFAOYSA-N 352.398 1.669 0 50 FDAA COC(=O)CCNC(=O)C1CCN(c2nc(C)c3ccccc3n2)CC1 12041448 OGXDVAIMQSWCRQ-UHFFFAOYSA-N 356.426 1.834 0 50 FDAA Cc1ccc(S(=O)(=O)NCCN2CCN(c3ccccn3)CC2)cc1 12420473 BUZRGMLBOFTXGN-UHFFFAOYSA-N 360.483 1.491 0 50 FDAA CC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccc(C(C)C)cc3)CN2C1=O 14539401 JCOIAAHTFMCGQY-JYJNAYRXSA-N 358.442 1.809 0 50 FDAA O=C(Nc1cccc(Cl)c1)N[C@H]1C[C@H]2C(=O)N3CCC[C@@H]3C(=O)N2C1 14732351 RVKIJCXWQAFFEO-MJBXVCDLSA-N 362.817 1.436 0 50 FDAA O=C(CCCn1nnnc1CN1CCOCC1)NCCCc1ccccc1 14962175 JWGNBAADEHFTKC-UHFFFAOYSA-N 372.473 1.035 0 50 FDAA COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC)cc1OC 18142909 DRAQOWZUQDUVOC-OAHLLOKOSA-N 366.439 1.686 0 50 FDAA COc1cc(-n2ccnc2-c2cc[nH]c(=N)c2)ccc1NS(C)(=O)=O 1857676133 KBACZRMZGMPJGQ-UHFFFAOYSA-N 359.411 1.727 0 50 FDAA CC(C)=CC[C@@]1(C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)C[C@@H]2CC[C@H]1N2 1857676735 LNKBBWBKRGIMQC-JNAXZKDPSA-N 356.470 1.798 0 50 FDAA COc1ccc(F)c(F)c1C(=O)N[C@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1 1857731359 FNKLDQHQWBPPSX-SLEUVZQESA-N 352.381 1.955 0 50 FDAA Cn1cc(C(=O)N2CCN(CCO)CC2)c(-c2ccc(Cl)s2)n1 331797116 IAMSTCRGDCGPAD-UHFFFAOYSA-N 354.863 1.552 0 50 FDAA CC[C@@H](C(=O)N1CC[C@@H](C(=O)O)C1)n1nnc(-c2ccc(Cl)cc2)n1 236954989 KZCQCSFWOJOMCZ-YPMHNXCESA-N 363.805 1.878 0 50 FDAA C[C@H]1CN(C(=O)c2cn(C3CCNCC3)nn2)C[C@@H](c2ccccc2)O1 237758430 CHSLDDWCMCPSNC-KSSFIOAISA-N 355.442 1.805 0 50 FDAA O=C(O)[C@H]1CC[C@@H](C(=O)N2CCc3nnc(-c4ccccc4)n3CC2)C1 247361192 DXQJZMYKKNAAQG-CABCVRRESA-N 354.410 1.831 0 50 FDAA COCCN1C[C@H]2CN(Cc3ccc(Cl)cc3F)C[C@@]2(C(=O)O)C1 247904109 WSMCRPGDSTUFFG-GUYCJALGSA-N 356.825 1.944 0 50 FDAA Cn1ccnc(N2CCC[C@H](Nc3nccc(C(F)(F)F)n3)C2)c1=O 266437437 VLHALYPTKVTZEB-JTQLQIEISA-N 354.336 1.670 0 50 FDAA FC(F)(F)Cn1nnnc1CN1C[C@@H]2C[C@H]1CN2Cc1ccccc1 931491467 PGIBCLXKJDEDTE-KBPBESRZSA-N 352.364 1.694 0 50 FDAA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc3c(c2)OCO3)NC(=O)N1 716303 ZADPYFXZPZYTAB-LRDDRELGSA-N 360.366 1.765 0 50 FDAA Cn1nc(CC(=O)N[C@@H]2C[C@@H](Cn3ccnc3)C[C@H]2O)c2ccccc21 2325786190 OKSROWHUIRFICU-MZMPZRCHSA-N 353.426 1.268 0 50 FDAA O=C1NC[C@H](CNC(=O)C2(Cc3cccc(Cl)c3)CCNCC2)O1 2325797747 PWSKYMICQCRPGF-AWEZNQCLSA-N 351.834 1.477 0 50 FDAA Cc1cn2cc(CC(=O)NCc3ccccc3N3CCNCC3)nc2s1 2325817981 LLTFOFSQAHPDMS-UHFFFAOYSA-N 369.494 1.973 0 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1.183 0 50 FDAA O=C(O)c1cccc(CC(=O)N2CCC(C(=O)N3CCOCC3)CC2)c1 262093484 CTBDXURXMOPYIA-UHFFFAOYSA-N 360.410 1.025 0 50 FDAA Cc1c(CN2CCN(Cc3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cnn1C 72406845 ZYLWHWKQLOYWIS-MOPGFXCFSA-N 374.510 1.212 0 50 FDAA C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 333963269 NRZKNFOQWNVLIU-VXGBXAGGSA-N 360.380 1.870 0 50 FDAA Nc1nc(N2CCN(Cc3cccs3)[C@@H](CCO)C2)c2cn[nH]c2n1 72454768 STVTZIRJRKGMAG-NSHDSACASA-N 359.459 1.070 0 50 FDAA Cc1cc(N2CCC(c3nnc(CN4CCC(O)CC4)n3C)CC2)ncn1 77393080 VNRDKEZTHOUNAS-UHFFFAOYSA-N 371.489 1.254 0 50 FDAA O=C(OC[C@H]1CCCCN1C(=O)Cn1cnnn1)N1CCCCCC1 376479076 JMYMTVQERJOSJX-CQSZACIVSA-N 350.423 1.067 0 50 FDAA Cc1cc(C)c(CN2CCOC[C@H](CO)C2)cc1CN1CCN(C)CC1 77322241 LBTWMYOKDZXDIE-IBGZPJMESA-N 361.530 1.492 0 50 FDAA CN(C)C[C@@]1(O)CCCN(S(=O)(=O)N(C)Cc2ccccc2)CC1 72148611 PMTXSTPPMGOYGL-QGZVFWFLSA-N 355.504 1.142 0 50 FDAA CCC(CC)N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2nnc(C)o2)[C@H]3C1=O 77406323 BCDWNTXLMZYQFI-YBKUAAOGSA-N 374.441 1.307 0 50 FDAA COC(=O)c1sccc1S(=O)(=O)N1CCC[C@@H](N2CCCC2=O)C1 71759552 DSHQBFYWYWMBRN-LLVKDONJSA-N 372.468 1.310 0 50 FDAA Cc1cc(C)c(CN2CCN[C@H](C(=O)N3CCCC3)C2)c(-n2cccn2)c1 72149797 BUYBTCPCKGGICG-IBGZPJMESA-N 367.497 1.885 0 50 FDAA O=C(c1ccc(F)c(F)c1)N1CCN(CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 72432719 DCODYCMZNAPAKG-CVEARBPZSA-N 370.421 1.298 0 50 FDAA CCS[C@@H]1O[C@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1NC(C)=O 221699040 HWVFWNMATMHVMS-JNNCMOEMSA-N 353.440 1.444 0 50 FDAA Cn1cc([C@@H](NC(=O)CN2CCc3ccccc3C2)C2CC(O)C2)cn1 223075497 OSGHOSAYSHIOJA-NLPFYKDJSA-N 354.454 1.407 0 50 FDAA CC(C)SCC(=O)N[C@@H]1COCC[C@H]1Oc1ccc(C(N)=O)cc1 223592431 ZWSGJYIYRKAGFT-HUUCEWRRSA-N 352.456 1.580 0 50 FDAA CN(C)c1ncccc1O[C@@H]1CCN([C@H]2CCN(c3cnn(C)c3)C2=O)C1 289282379 GIXWLOYKMFRVAT-CVEARBPZSA-N 370.457 1.140 0 50 FDAA O=C(NCc1nncn1C1CCCCC1)N1CCN(c2cnccn2)CC1 426473036 YNNVLVRAUOVVIY-UHFFFAOYSA-N 370.461 1.605 0 50 FDAA CN(C)c1nc(NCCCc2nnc3ccccn23)cc(C2CC(N)C2)n1 223515360 RTVOMSLQXORGQY-UHFFFAOYSA-N 366.473 1.835 0 50 FDAA Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCCN3CC(N)=O)cc2)n1 95499599 HPXQMFANYYRXRL-KRWDZBQOSA-N 355.442 1.767 0 50 FDAA Cc1nnnn1[C@@H](C(=O)NCCCn1c(C)cccc1=O)c1ccccc1 426548500 KTJORXMGDGWADB-GOSISDBHSA-N 366.425 1.248 0 50 FDAA CCn1ccnc1C1CCN(C(=O)c2cc(-n3cnnn3)ccc2O)CC1 91964904 IYISJIXKEFBIBH-UHFFFAOYSA-N 367.413 1.604 0 50 FDAA CCn1nc(C)c(CN2C[C@@H]3CN(c4ncccn4)C[C@]3(C(=O)O)C2)c1C 96140916 YWZOMRBWKXNCKN-DNVCBOLYSA-N 370.457 1.333 0 50 FDAA CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2ccc4nsnc4c2)[C@@H]3C1=O 97729639 BGFBXMWHIFPLQX-AFIMGQEJSA-N 370.434 1.062 0 50 FDAA Cc1cccc(CNC(=O)N2CCC([C@H](C)N3CCN(C)CC3)CC2)n1 426376610 ZYTJUAXABRMMRK-KRWDZBQOSA-N 359.518 1.948 0 50 FDAA NS(=O)(=O)C[C@H]1CCN(C(=O)NCc2ccc3sccc3c2)C1 426523242 UCZMBRNVXGIFFL-LBPRGKRZSA-N 353.469 1.721 0 50 FDAA Cc1nc2n(c1C(=O)N(C)C)CCN(C(=O)[C@@H]1COc3ccccc3C1)C2 91452156 MMJLWARLKVSFLR-HNNXBMFYSA-N 368.437 1.487 0 50 FDAA CCN1CC2(CCC1=O)CCN(C(=O)CN(C)Cc1cccnc1)CC2 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RGXBBLCQVDWTAL-UHFFFAOYSA-N 374.489 1.671 0 50 FDAA Cc1ccc(S(N)(=O)=O)cc1C(=O)NC1(CC(=O)O)CCCCC1 244647020 GTNYDIYJHZMOBU-UHFFFAOYSA-N 354.428 1.550 0 50 FDAA CN(Cc1noc(C2CCC2)n1)C(=O)c1cn([C@H]2CC[C@@H](N)CC2)nn1 244678668 IHWQVNVJHPXHLB-BETUJISGSA-N 359.434 1.643 0 50 FDAA CCNS(=O)(=O)c1ccc2c(c1)N(Cc1noc(COC)n1)CC2 182626673 YOPSWPALWLCSRH-UHFFFAOYSA-N 352.416 1.077 0 50 FDAA COc1cncc([C@H](NC(=O)c2cnn3ccn(C)c23)[C@H]2C[C@H](O)C2)c1 252537230 KTNXBZRGSCYHSU-AXAPSJFSSA-N 355.398 1.318 0 50 FDAA CC[C@H](C)[C@H](CO)NC(=O)CC[C@@H]1N=C(O)N(Cc2ccco2)C1=O 252539831 OLWTUXUGROFADF-UBHSHLNASA-N 351.403 1.208 0 50 FDAA CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N(CC(=O)O)C1CCOCC1 299752538 UMVIDWIEFVHSSN-SFHVURJKSA-N 374.437 1.615 0 50 FDAA Cc1cccc2c(=O)n(CC(=O)N3[C@H](C(=O)O)C[C@H]4CCCC[C@H]43)cnc12 299747201 CIUCMYPIJPCWOL-BMFZPTHFSA-N 369.421 1.949 0 50 FDAA Cn1cccc1CN1C[C@@H](O)[C@H](Oc2cnn(Cc3ccccc3)c2)C1 862431584 LATDJAMYLJJRIR-WOJBJXKFSA-N 352.438 1.894 0 50 FDAA COc1ccccc1OC1CCN(CCCS(=O)(=O)N(C)C)CC1 252503699 VFSUXRPXWSJICO-UHFFFAOYSA-N 356.488 1.820 0 50 FDAA COc1ccc([C@@H](O)CNC(=O)NCCN2CCCCCC2)cc1OC 534664713 AATSMQSIOYVCPE-INIZCTEOSA-N 365.474 1.912 0 50 FDAA COC(=O)c1cn(CCC(=O)NCCc2ccccc2)cc2c(=O)[nH]nc1-2 263587983 NSWHQEOTDBQGPE-UHFFFAOYSA-N 368.393 1.212 0 50 FDAA CN1CCCN(CC(=O)N2Cc3cnc(-c4ccccc4)nc3C2)CC1 299778050 LRVTYGOOAZXBDT-UHFFFAOYSA-N 351.454 1.623 0 50 FDAA CC(C)c1nccc(C(=O)N(Cc2ccncc2)C[C@@H]2CCC(=O)N2)n1 299772281 UZVZZNNTDIJWEE-HNNXBMFYSA-N 353.426 1.916 0 50 FDAA COc1cc2c(cc1CNC(=O)[C@@H]1CCCCn3nnnc31)OCCO2 299769477 RUPPGVXIZXATHN-GFCCVEGCSA-N 359.386 1.037 0 50 FDAA CN(C)S(=O)(=O)N[C@@H]1CCN(Cc2cccc3ccccc23)C[C@H]1O 299763956 ZLCRWVXDIGIOEV-QZTJIDSGSA-N 363.483 1.171 0 50 FDAA COc1cnc(CN(C)CCNc2cc([C@H]3CCOC3)ncn2)cc1O 299758442 PRWHKEDTICYTGR-ZDUSSCGKSA-N 359.430 1.634 0 50 FDAA Cn1ccc(C(=O)N2CC(N3C[C@H](c4nc(C5CC5)no4)CC3=O)C2)c1 864686938 DFKZYEGBHQTHNE-CYBMUJFWSA-N 355.398 1.126 0 50 FDAA O=C(O[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cc2n(n1)CCCC2=O 1875293312 LQCQQMVXAAADOU-CQSZACIVSA-N 353.378 1.818 0 50 FDAA Cc1ccccc1C[C@H](C)NC(=O)CN1CCc2c(O)nc(O)nc2C1 1875307830 MHBVXRSOIQZNKT-ZDUSSCGKSA-N 356.426 1.302 0 50 FDAA C[C@@H]1COC[C@@](CO)(CNc2nccc(CO)n2)N1Cc1ccccc1 1875392446 CJORCCNMKCMZPL-BEFAXECRSA-N 358.442 1.033 0 50 FDAA Cc1nc(C(=O)NCc2cccnc2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875301248 HBHFZDNOIGUSGZ-MRXNPFEDSA-N 354.458 1.559 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1cccc(-c2cc[nH]n2)c1 1875402187 BEJCBZSUJFSRBF-FSPWUOQZSA-N 351.410 1.843 0 50 FDAA CCC1(N(C)C)CCN(C(=O)c2nc(C)c(C)c(N3CC[C@@H](N)C3)n2)CC1 1875401641 NMNAYAFJJPDPQM-MRXNPFEDSA-N 374.533 1.577 0 50 FDAA O=C1C[C@H](C(=O)N2C[C@@H]3[C@@H](C[C@H]3NC(=O)c3ccoc3Cl)C2)CO1 1875407948 KVIULFBYWKDXSE-GAIPPQHRSA-N 352.774 1.073 0 50 FDAA NC(=O)CN1CCC[C@@H](C(=O)N[C@H](CO)c2cc(Cl)cc(Cl)c2)C1 952871691 BGOIEOYTBPUREY-QMTHXVAHSA-N 374.268 1.340 0 50 FDAA O=C(/C=C/c1cc(CO)cs1)N1CCCC[C@H]1CN1CCOCC1 952966368 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1.758 0 50 FDAA Cc1cc(C)cc(N2CCN(C(=O)CC[C@@H](C)N3CCOCC3)CC2=O)c1 77455208 NEUGCELTMAKCJA-GOSISDBHSA-N 373.497 1.980 0 50 FDAA COCCN1CCC[C@H](C(=O)N2CCC3(CC2)C(=O)Nc2ccccc23)C1 72149726 XACGADMNCTUZQY-INIZCTEOSA-N 371.481 1.857 0 50 FDAA CN(C)Cc1nnc([C@H]2CCCN(C3CSCCSC3)C2)n1C 72427298 DHWPGEYREHCAML-ZDUSSCGKSA-N 355.577 1.905 0 50 FDAA Cc1cccc2c(=O)c(C(=O)N3CCC[C@@]4(CN(C)C(=O)O4)C3)c[nH]c12 72150703 ZISKCWNYENPENH-LJQANCHMSA-N 355.394 1.893 0 50 FDAA COC[C@@]1(C)N=C(O)N(CC(=O)Nc2cc(C)nn2C(C)(C)C)C1=O 331302744 XOAXQHSOZIDTMG-MRXNPFEDSA-N 351.407 1.046 0 50 FDAA O=C1CC[C@H](NC(=O)c2ccnn2-c2ccccc2)[C@H]([C@@H]2CCCO2)N1 365991519 IATKOWBCMWIYKT-QILLFSRXSA-N 354.410 1.428 0 50 FDAA Cc1nc(C[C@@H]2CCCN(C(=O)c3cn(C)nc3[C@@H]3CCCNC3)C2)no1 333462606 GTPZOIJDDXDYNZ-LSDHHAIUSA-N 372.473 1.673 0 50 FDAA Cc1cn(CC(=O)N[C@@H]2CCCN(CC3CCCCC3)C2)c(=O)[nH]c1=O 72421659 LJPLXOIEWHHTOD-MRXNPFEDSA-N 362.474 1.006 0 50 FDAA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1cnc2ccccn2c1=O 219813088 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COc1ccc2c(c1)CCN(C(=O)Cn1ccc([C@@H]3CCCNC3)n1)C2 426477280 VBSQMNGTBQENAJ-MRXNPFEDSA-N 354.454 1.944 0 50 FDAA CC(=O)N1CCc2ccc(S(=O)(=O)N(C)[C@H](C)C(C)(C)O)cc2CC1 295197406 BIBFNWZIYVIGOW-CYBMUJFWSA-N 368.499 1.414 0 50 FDAA Cc1cc2c(cc1C(=O)NCCc1nc(-c3cccnc3)n[nH]1)OCCO2 223940018 PQBUYYRQTLUXKO-UHFFFAOYSA-N 365.393 1.919 0 50 FDAA Cc1nc(SCCNC(=O)Nc2cc(S(C)(=O)=O)ccc2C)n[nH]1 426683773 IHVFPIXBBGXSDR-UHFFFAOYSA-N 369.472 1.739 0 50 FDAA COC(=O)c1n[nH]c2c1CN(C(=O)[C@@H]1CCOc3ccccc3C1)CC2 96142301 MBGAWNVFVZIMKZ-CYBMUJFWSA-N 355.394 1.722 0 50 FDAA O=C(CN1C[C@H]2CC[C@@H]1CN(CCCc1ccccc1)C2)N1CCNCC1 91518903 LAWHEJLOXUYEGS-LEWJYISDSA-N 370.541 1.447 0 50 FDAA O=C(CCn1cnnn1)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1 91849183 SDSNYXVIHOJTNC-OAHLLOKOSA-N 366.429 1.109 0 50 FDAA COC(=O)c1cc(OCC2CCC2)cc(C(=O)NCc2cc(=O)[nH]cn2)c1 91914816 VNAIEGVTLXEDGS-UHFFFAOYSA-N 371.393 1.665 0 50 FDAA OCCN=c1[nH]c([C@@H]2CCOC2)cc(=NCc2ccnc3ccccc23)[nH]1 426693764 OGNDKDDAFTUCPF-OAHLLOKOSA-N 365.437 1.389 0 50 FDAA C[C@H](C(=O)N1CCC[C@H](C(=N)O)C1)N1CCC[C@](O)(C(F)(F)F)CC1 332261348 DYLVVGYFEIAEEP-TYNCELHUSA-N 365.396 1.928 0 50 FDAA COCCN1C[C@H](C(=O)NCc2nncn2C2CCCCC2)CCC1=O 91707490 AQFMDGNQDRDOAK-CQSZACIVSA-N 363.462 1.285 0 50 FDAA Cc1ccc(C)c2c(=O)cc(CN3CCN(C(=O)[C@H]4CCCO4)CC3)[nH]c12 91616902 WZKQHEYPTPDYPO-GOSISDBHSA-N 369.465 1.968 0 50 FDAA Cc1ccccc1[C@@H]1CN(C(=O)c2cnn3cccnc23)C[C@H]1C(=O)O 91872859 VCECYFBHZPTKLV-JKSUJKDBSA-N 350.378 1.978 0 50 FDAA COCCCn1cnnc1[C@@H](C)NC(=O)c1c(C)c(Cl)c(C)[nH]c1=O 97696407 WXJYETRKISCUEY-LLVKDONJSA-N 367.837 1.764 0 50 FDAA CCc1cc(N2CCC(NC(=O)N3CCCC[C@@H]3CCO)CC2)ncn1 180696188 CRIGDZZADCTQMX-QGZVFWFLSA-N 361.490 1.954 0 50 FDAA COCCCn1cnnc1[C@@H](C)NC(=O)c1cc(=O)[nH]c2cc(F)ccc12 97729616 AJXQMTBQSCGRHL-LLVKDONJSA-N 373.388 1.786 0 50 FDAA CCc1cc(C(=O)N2CCC(c3nnc(Cn4cncn4)n3C)CC2)no1 91254943 BHUZUALRBHFJTJ-UHFFFAOYSA-N 370.417 1.025 0 50 FDAA Cc1cccc2cc(C(=O)N3CCN(S(=O)(=O)N(C)C)CC3)n(C)c12 95386805 YTLAJJMKZXMBQC-UHFFFAOYSA-N 364.471 1.051 0 50 FDAA COCCN(Cc1cnn(C)c1)C(=O)c1cnc(-c2cccnc2)nc1C 97572160 VKYMCTSFVVSJAE-UHFFFAOYSA-N 366.425 1.869 0 50 FDAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(C)c(O)c2)CN1CC=C(C)C 91793307 CUQHZNHDMBKPOH-SJORKVTESA-N 359.470 1.976 0 50 FDAA CCSc1nnc(NC(=O)CN(C)[C@@H](C)Cc2cnccn2)s1 244734932 NOCXCAQHDPFESG-JTQLQIEISA-N 352.489 1.942 0 50 FDAA CC(C)n1cnnc1CN(C)CC(=O)Nc1nnc([C@@H]2CCCO2)s1 252485644 HAWOCBKJJQKSIQ-NSHDSACASA-N 365.463 1.633 0 50 FDAA O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NC[C@H]1CCOC1 298457630 VBVNSNZHOONQKO-MRVPVSSYSA-N 357.193 1.742 0 50 FDAA CN1C[C@@]2(CCCN(CCC(=O)Nc3nnc(C4CC4)s3)C2)OC1=O 252483719 FHICSFLRMSJFME-MRXNPFEDSA-N 365.459 1.661 0 50 FDAA COCCn1ccc2c(OCC(=O)Nc3cccn4nnnc34)cccc21 263588821 YRWDMBANWBSCLL-UHFFFAOYSA-N 366.381 1.743 0 50 FDAA CS(=O)(=O)Nc1cccc(NC(=O)NCCCN2CCCC2=O)c1 299797569 BJXIEGHSIJOBIW-UHFFFAOYSA-N 354.432 1.192 0 50 FDAA O=C1CN(C(=O)COC[C@@H]2CCCCO2)CCN1CCc1ccccc1 584897568 YNGPINPSNRVPAK-SFHVURJKSA-N 360.454 1.486 0 50 FDAA 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VMYGEYIXJRFQAQ-ZDUSSCGKSA-N 359.411 1.676 0 50 FDAA CC[C@H](CC(=O)N1C[C@H](C)[C@@H](NC(=O)c2nnn3ccccc23)C1)OC 1875331980 HSHCXWDJCCLAKP-MJBXVCDLSA-N 359.430 1.121 0 50 FDAA C=CC(=O)NCc1ccc(C(=O)N2CC(NC(=O)OC(C)(C)C)C2)cc1 1875367300 POTMMNBXWQGDDH-UHFFFAOYSA-N 359.426 1.838 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1cnccc1C(F)(F)F 1875403422 WSKBUPYXBJLHRQ-LERXQTSPSA-N 354.332 1.866 0 50 FDAA Cc1nc(C(=O)N2CCC23CC(CO)C3)nc(N2CC[C@@H](N(C)C)C2)c1C 1875403768 BCSAEWBKVMABRN-LFDOHDQPSA-N 373.501 1.221 0 50 FDAA CCN1CCN(CC(=O)NC2CCN(C3CCSCC3)CC2)CC1 952983639 WJYDSMHXNIMTQF-UHFFFAOYSA-N 354.564 1.100 0 50 FDAA CCNC(=O)[C@@H]1CC[C@](C)(C(=O)NCc2cnc(O)nc2O)C1(C)C 1076102981 QCYZZINQLRYDNI-APPDUMDISA-N 350.419 1.083 0 50 FDAA Cc1nc(NC[C@@H]2CC(=O)N(C)[C@H]2c2ccncc2)c2cnn(C)c2n1 886041126 ZIONJJYWZGELDN-BBRMVZONSA-N 351.414 1.698 0 50 FDAA CCn1cc(C(=O)N2CC[C@H](c3n[nH]c(C)n3)C2)c(C2CCOCC2)n1 886078167 OQQSEYMGFOGSFQ-AWEZNQCLSA-N 358.446 1.853 0 50 FDAA CN(C)Cc1c(C(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)oc2ccccc12 888079443 GHCVHKBTOKHYIE-ZMSDIMECSA-N 354.410 1.795 0 50 FDAA Cc1noc([C@@H]2CC(=O)N(C3CN(C(=O)C4(C(C)(F)F)CC4)C3)C2)n1 888098624 QZTIUYLVHKGOLR-SNVBAGLBSA-N 354.357 1.340 0 50 FDAA Cn1nc(C[C@H]2CCCC[C@H]2NC(=O)c2ccc(CO)cc2)n(C)c1=O 888095450 YMLNCERMXWFZSV-HZPDHXFCSA-N 358.442 1.142 0 50 FDAA CC(=O)c1cc(CC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2O)cs1 1565529967 WKXGNABYMVLIPD-IRXDYDNUSA-N 373.478 1.640 0 50 FDAA O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCc1ccc(O)cc1 96031979 VZWXNOBHWODXCW-ZOBUZTSGSA-N 363.483 1.777 0 50 FDAA biogenic,in-vitro O=C(N1CCO[C@H](Cn2cccn2)C1)C1(c2ccccc2)CCNCC1 168230719 XALXNIQQBVNINX-SFHVURJKSA-N 354.454 1.432 0 50 FDAA CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)c2ccc(F)cn2)cn1 190358469 KBVGMVYJMBTLCA-AWEZNQCLSA-N 352.391 1.049 0 50 FDAA CNC(=O)c1cccc(CCNC(=O)[C@H]2COCCN2C2CCCC2)c1 193327711 WMARAMFZMBUFSV-GOSISDBHSA-N 359.470 1.348 0 50 FDAA C[C@]1(O)C[C@H](C[C@]2(C)O[C@H]2COc2ccc3ccc(=O)oc3c2)OC1=O 197277465 UMYAEKVHXDURJS-UVDFWXMISA-N 360.362 1.786 0 50 FDAA biogenic O=C(CCn1cnc2ccccc21)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1529158656 HZWCOUDGBCUBGN-VQIMIIECSA-N 354.454 1.748 0 50 FDAA Cc1ccccc1OCC(=O)N1CCCN(CCN2CCCC2=O)CC1 1704347166 ICLJXQUTQINSLT-UHFFFAOYSA-N 359.470 1.531 0 50 FDAA Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCO3)cc2)n1 831814 ZRMYIFOHIPKDCE-CQSZACIVSA-N 362.411 1.703 0 50 FDAA CC(C)N1C[C@@H](CN2CCc3nc(N(C)C)nc(O)c3CC2)CCC1=O 1775982617 MHTRBQZTAWIHEY-CQSZACIVSA-N 361.490 1.296 0 50 FDAA O=S(=O)(c1ccc(-c2ccccc2)cc1)N1C[C@@H]2CNC[C@]2(CO)C1 1772712719 XBIWIYDEVNWBFF-PKOBYXMFSA-N 358.463 1.556 0 50 FDAA Cc1nnc2n1C[C@@H](CNC(=O)CCCc1nc(-c3cccnc3)no1)C2 1772709463 KMVWAXSWMWSBNO-CYBMUJFWSA-N 367.413 1.343 0 50 FDAA CC(C)(C)N1C[C@H](C(=O)N2CCC(CCC(=O)NC3CC3)CC2)CC1=O 12298094 IBFHQLYBSMJLSB-OAHLLOKOSA-N 363.502 1.931 0 50 FDAA Cc1cc(C)n2c(CCCNC(=O)c3ccc4c(c3)OCO4)nnc2n1 12321360 WLYIGAPDJYMWNQ-UHFFFAOYSA-N 353.382 1.832 0 50 FDAA COc1cccc(CNC2CCC2)c1OC[C@H](O)CN1CCOCC1 12717625 QXYLLLSACJDESB-QGZVFWFLSA-N 350.459 1.409 0 50 FDAA COCCN1C(=O)N(C)C(=O)C12CCN(Cc1ccc(OC)cc1)CC2 14537165 AHBKTAYIFOGVRX-UHFFFAOYSA-N 361.442 1.570 0 50 FDAA CC(C)CN1C[C@H](OCc2ccncc2)CN(Cc2ncc[nH]2)CC1=O 19742203 XYXPDOMTKXEZTF-QGZVFWFLSA-N 357.458 1.690 0 50 FDAA O=C(O)Cn1nc(COc2cccc(F)c2)nc1[C@@H]1CCc2ncnn2C1 1857671731 ZPPWDVWSJJGEEY-LLVKDONJSA-N 372.360 1.402 0 50 FDAA C[C@@]1(C(=O)NCc2nncn2CCc2ccccc2)CC12CCNCC2 1857683883 PTRUWJUVGDJKAC-IBGZPJMESA-N 353.470 1.917 0 50 FDAA CN(C)c1ncccc1-c1nc(CC(N)=O)nn1-c1cccc2cccnc12 1857679787 VNTGFKOPLRAYDL-UHFFFAOYSA-N 373.420 1.971 0 50 FDAA CC(C)c1noc([C@@H]2CCCN2C(=O)c2cc3n(n2)CCN(C)C3=O)n1 1857681128 YYABKNLVNSBZBC-LBPRGKRZSA-N 358.402 1.452 0 50 FDAA O=C1CC2(CCN(C[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)OCCN1 1857681922 DTDDEYAQECXEIL-INIZCTEOSA-N 357.454 1.411 0 50 FDAA COc1ccc2[nH]c(=O)c(-c3nccn3C[C@H]3CN(C)C(=O)CO3)cc2c1 1857682987 NWAHNXOBBGWUSS-CQSZACIVSA-N 368.393 1.257 0 50 FDAA Cc1cc(CN2C[C@@H]3[C@H](CNS(C)(=O)=O)[C@H]4CC[C@]3(C2)O4)ccc1F 1857710297 PPOSSDLUHWTODU-BURFUSLBSA-N 368.474 1.663 0 50 FDAA Cc1nc(C)c(C(=O)N2CCC3(CCc4c(O)nc(=N)[nH]c43)CC2)s1 1857719758 SVKWJEBFHAZSJP-UHFFFAOYSA-N 359.455 1.788 0 50 FDAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)CCc4cc(Cl)no4)[C@@H]2CC(=O)N13 1857727775 ZHRYYGDUYQKFES-AHIWAGSCSA-N 367.833 1.845 0 50 FDAA Cc1[nH]nc(C(=O)N2CCN(CC(C)C)C(=O)[C@@H]2C)c1Br 779110577 GWSGTOAKBNBVQK-JTQLQIEISA-N 357.252 1.810 0 50 FDAA C[C@H](NC(=O)CN1C(=O)[C@H](C)Oc2ccccc21)C(=O)N1CCCC[C@@H]1C 263813700 RQWRKKNDRQLLTL-KKUMJFAQSA-N 373.453 1.706 0 50 FDAA C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O 264869930 AMJNDAJQZFEQOG-LALPHHSUSA-N 370.446 1.459 0 50 FDAA Cc1cccc([C@H]2CN(S(=O)(=O)N(C)CC3CC3)C[C@@H]2C(=O)O)c1 903866810 ISMAQAGCDXKOGI-CVEARBPZSA-N 352.456 1.682 0 50 FDAA O=C1N[C@@H]2COC[C@H]1CN(Cc1cccc(OCCN3CCCCC3)c1)C2 1704337473 SLAGYHHVWCQBMY-MOPGFXCFSA-N 373.497 1.498 0 50 FDAA O=C1CN(CC(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)CCN1 828076579 YCXHEEKIUCZWIF-CQSZACIVSA-N 356.426 1.352 0 50 FDAA Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=N[C@@H]2c1ccc(Cl)cc1 9936879 CTCHNAGITYNQPR-HNNXBMFYSA-N 359.817 1.866 0 50 FDAA Nc1cnnc(N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)c1 2325780415 CSGAEDLQEKJQRR-MRXNPFEDSA-N 353.474 1.492 0 50 FDAA C[C@@]1(C(=O)NCc2cccc(C(=O)N3CCCC3)c2)CC(F)(F)CN1 2325790533 SDQAJGWBIAUCMV-KRWDZBQOSA-N 351.397 1.926 0 50 FDAA CN(C)[C@@]1(C(N)=O)CCN(C(=O)COc2ccc(-c3ccccc3)cc2)C1 2325803564 OKVJQXVYMVUZRO-NRFANRHFSA-N 367.449 1.750 0 50 FDAA O=C1C[C@H](NC(=O)CCc2nc3ccccc3n2-c2ccccc2)C(=O)N1 2325829152 ALFVNVARQHKVLT-HNNXBMFYSA-N 362.389 1.489 0 50 FDAA Cc1[nH]c(-c2ccc(F)cc2)nc1C(=O)N1CCC2(CC1)CNC(=O)CO2 2356137372 WRMZMVMLHRQHQA-UHFFFAOYSA-N 372.400 1.645 0 50 FDAA CCC[C@@]1(C(=O)O)CN(C(=O)c2[nH]c3c(c2C)C(=O)CCC3)CC[C@@H]1O 2356146582 MIIBOSCMRVYDGS-IFXJQAMLSA-N 362.426 1.920 0 50 FDAA O=C(c1cnc2ccccc2n1)N1CCC[C@@]12CCCN(CCO)C2=O 2356152086 QEYPDDXWFIOEMD-LJQANCHMSA-N 354.410 1.219 0 50 FDAA CN1CCc2ccc(C(=O)NCCS(=O)(=O)c3ccc(F)cc3)nc21 2356165965 LXQCMHGKOJHRBF-UHFFFAOYSA-N 363.414 1.417 0 50 FDAA O=C([C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1)N1CCOCC1 4938404 XPMGIUPOBBKSLW-SFHVURJKSA-N 374.462 1.852 0 50 FDAA COc1ccc(-c2nnn(Cc3nc(N)nc(N4CCCCC4)n3)n2)cc1 1087946 FVWWBLWLYKCAJQ-UHFFFAOYSA-N 367.417 1.155 0 50 FDAA CCOC(=O)[C@@H]1C(=O)N=C(N2CCCCC2)N[C@H]1c1ccc(OC)cc1 9184196 UKUWWHAOBPBYOY-HOTGVXAUSA-N 359.426 1.887 0 50 FDAA CN1CCC[C@@]2(CCN(C(=O)CCn3cnc4ccccc4c3=O)C2)C1=O 67689112 UOJKDBXOLKXEAU-FQEVSTJZSA-N 368.437 1.258 0 50 FDAA C[C@@H](Cn1cncn1)NC(=O)c1cc(CN(C)Cc2ccccc2)on1 67695131 PTLYXZBCHCLQMN-AWEZNQCLSA-N 354.414 1.717 0 50 FDAA Cc1ccc(F)c(NC(=O)CCC(=O)NCCSc2ncn[nH]2)c1 55358486 LBRRYPUFNIDFIF-UHFFFAOYSA-N 351.407 1.879 0 50 FDAA COc1ccc(CN2CCN(Cc3cnn(C)c3)C[C@@H]2CCO)cc1C 20327668 UDJMSBYZPBABHW-IBGZPJMESA-N 358.486 1.806 0 50 FDAA CCOC(=O)c1nccn1CC(=O)Nc1cc(C)nn1-c1ccccn1 20363659 YCFCPUHAOYCJRU-UHFFFAOYSA-N 354.370 1.588 0 50 FDAA Cc1cccc([C@H](C(=O)N2CCN(c3cn[nH]c(=O)c3)CC2)N(C)C)c1 65385694 XVVXGXODIFPWEN-GOSISDBHSA-N 355.442 1.030 0 50 FDAA CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 252483641 FGHYHMSCNPWNSW-RYRKJORJSA-N 373.453 1.327 0 50 FDAA CCC(=O)N1CC[C@H](NC(=O)Nc2cc(C)cc(N3CCN(C)CC3)c2)C1 252492894 MWURPTZTRZCALU-INIZCTEOSA-N 373.501 1.879 0 50 FDAA C[C@H](C(=O)N1CCC[C@@H](N(C2CCC2)S(C)(=O)=O)CC1)n1cncn1 328629262 IBOXQTXFIVSXHX-UKRRQHHQSA-N 369.491 1.034 0 50 FDAA CCN(CC)C(=O)CN1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 328603849 HGSGXVHBYARGSC-AUUYWEPGSA-N 370.457 1.749 0 50 FDAA CS(=O)(=O)N1CCO[C@@H](c2nnc(CCCc3cccs3)o2)C1 328634322 MONCILQSOOCDLI-GFCCVEGCSA-N 357.457 1.639 0 50 FDAA O=C(Cn1ncc2ccccc2c1=O)N[C@H](Cc1ccccc1)C(=O)O 71329017 KGBKLKAXJLEZNE-MRXNPFEDSA-N 351.362 1.209 0 50 FDAA CN1N=C(C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)CCC1=O 363519933 MSRBUGNDMAIVTD-UHFFFAOYSA-N 371.441 1.059 0 50 FDAA Cc1ncc(C(=O)N2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)cn1 71524061 XBMYLTDLKHKTDP-HNNXBMFYSA-N 371.485 1.380 0 50 FDAA O=C(Cc1cccc(N2CCCC2=O)c1)N1CC[C@H](N2CCOCC2)C1 377532946 CVFDSRKOKXUPMW-SFHVURJKSA-N 357.454 1.289 0 50 FDAA CN(CC(=O)NC[C@H]1CCCN(c2ncccn2)C1)Cc1cccnc1 216091152 CHUDHWDBAMMGNX-QGZVFWFLSA-N 354.458 1.336 0 50 FDAA O=S1(=O)C[C@@H](O)[C@H](n2ccnc2-c2ccccc2Cn2cccn2)C1 71589755 SUUWGTKBFZNTRP-HZPDHXFCSA-N 358.423 1.125 0 50 FDAA COc1ccc(-n2cccn2)c(CN2CCN(Cc3nccn3C)CC2)c1 215479239 ULMSPEAQHUNYIH-UHFFFAOYSA-N 366.469 1.932 0 50 FDAA O=C(NC1Cc2ccccc2C1)c1cccc(N2CCS(=O)(=O)CC2)c1 219609849 KFCJVYWCBAJJOF-UHFFFAOYSA-N 370.474 1.819 0 50 FDAA CCc1nc(CN2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)no1 219052136 PSOJHWHNQWGCPN-QGZVFWFLSA-N 357.418 1.050 0 50 FDAA Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NOCc1cccnc1 155901684 CNWIIWCFACFARL-INIZCTEOSA-N 356.361 1.547 0 50 FDAA COc1ccccc1S(=O)(=O)N1CCc2c(nc(C)nc2N(C)C)C1 71760191 UXTNXVBUYZISQK-UHFFFAOYSA-N 362.455 1.607 0 50 FDAA NC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)CC1 32103327 UVTUYNBMWXKKBI-LLVKDONJSA-N 367.808 1.556 0 50 FDAA CN(C(=O)N1CCS(=O)(=O)CC1)[C@H]1CCCN(Cc2ccccc2)C1 376083559 OMGJARPHAIRCLY-KRWDZBQOSA-N 365.499 1.433 0 50 FDAA CN(C)Cc1nnc([C@H]2CCCN(C(=O)c3ccc4nonc4c3)C2)n1C 72475439 JFVNSZLNUXVFMN-ZDUSSCGKSA-N 369.429 1.433 0 50 FDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)c3ccccc3)CC2)C1 71749683 POOBYAJELDXMLQ-GOSISDBHSA-N 373.497 1.766 0 50 FDAA COCCCn1cnnc1[C@H](C)NC(=O)c1cc2c(n(C)c1=O)CCCC2 216010916 OVKILJUKBADBEY-ZDUSSCGKSA-N 373.457 1.383 0 50 FDAA CCc1cc(N2C[C@@H](COCC(=O)N(C)C)OC(C)(C)C2)nc(C)n1 285212409 XCWCKHWRIFBOAN-HNNXBMFYSA-N 350.463 1.436 0 50 FDAA Cn1cc(CNC(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)c(C(F)(F)F)n1 286583368 CUIZXGMQXSOZRC-LLVKDONJSA-N 373.379 1.593 0 50 FDAA O=C1CC[C@H]2CN(Cc3cccc4nonc34)CC[C@H]2N1CCCCO 72478258 USJMVAGCSGHCAJ-WMLDXEAASA-N 358.442 1.808 0 50 FDAA C[C@@H]1CC[C@@H](C(=O)O)CN1C(=O)CCNS(=O)(=O)c1ccccc1 263273277 WGSDLBBOLOUZPZ-CHWSQXEVSA-N 354.428 1.067 0 50 FDAA CCn1c(O)nc2cc(C(=O)N3C[C@H](C)C[C@@H](C(=O)O)C3)ccc2c1=O 263354697 QNUILSQOHXLRGJ-ZYHUDNBSSA-N 359.382 1.305 0 50 FDAA COCC(=O)NCc1cc2n(n1)CCCN(Cc1ccc(F)c(C)c1)C2 82097448 GYJYAGQJDQFYTF-UHFFFAOYSA-N 360.433 1.999 0 50 FDAA COc1ccccc1N1CC[C@H](NC(=O)N[C@H](C)CN2CCCC2=O)C1 176579411 NXJFMTLACIPUEK-CABCVRRESA-N 360.458 1.584 0 50 FDAA COC(=O)c1cccc(-c2cccc(C(=O)NC[C@@]3(O)CCNC3)c2)c1 426551998 OOMCGMGXTWWEAH-HXUWFJFHSA-N 354.406 1.594 0 50 FDAA CCNC(=O)CN1CCN(C(=O)c2ccc(-c3cccc(F)c3)nc2)CC1 82156334 ZRNHIJIVJHIPHY-UHFFFAOYSA-N 370.428 1.782 0 50 FDAA CO[C@@H]1CCOC[C@H]1NS(=O)(=O)c1c(Cl)nc2sccn12 223505241 MNFOROBWUGMQKN-HTQZYQBOSA-N 351.837 1.131 0 50 FDAA COc1ccc(OC)c([C@H](C)NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1 44390242 QDACDXFWUOCJKY-STQMWFEESA-N 370.471 1.553 0 50 FDAA Cc1ccc(C(=O)NC2CCN(c3cnccn3)CC2)c(OCCCN)c1 426527766 LKGBRSMNDJAMJJ-UHFFFAOYSA-N 369.469 1.911 0 50 FDAA Cc1nc(O)nc(O)c1-c1ccc(C(=O)N[C@@H]2CN3CCC2CC3)cc1 426667372 KIKXIUMFNISPFS-OAHLLOKOSA-N 354.410 1.687 0 50 FDAA COCc1nc(NCc2noc(-c3ccco3)n2)cc([C@H]2CCOC2)n1 426628317 RNUKWKKZXNAMHN-NSHDSACASA-N 357.370 2.382 0 50 FDAA CCc1ncc(C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)cn1 95392358 UACYRGJWNYDDIG-UHFFFAOYSA-N 374.466 1.622 0 50 FDAA 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CN(C)C(=O)NCC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1 95497024 YHFTYGNUDACUBO-OAHLLOKOSA-N 370.457 1.304 0 50 FDAA COc1ccc(F)cc1[C@H](NC(=O)CCCn1cnnn1)[C@H]1C[C@H](O)C1 244852540 UUFGZYYTVCWBAH-CJBNDPTMSA-N 363.393 1.229 0 50 FDAA Cn1c(CO)nnc1[C@H]1C[C@H](NS(=O)(=O)c2ccc(F)c(Cl)c2)C1 244858632 VOYWNJIABFOWNG-KYZUINATSA-N 374.825 1.324 0 50 FDAA CN1C(=O)CC[C@@H](NC(=O)c2cc3c([nH]2)CCCC3)[C@@H]1c1ccnn1C 296057807 CPIUQNSADOEQTP-RDTXWAMCSA-N 355.442 1.719 0 50 FDAA CC(=O)Nc1ccccc1NC(=O)CN1CCCN(c2ncccn2)CC1 244898894 ZDNCKUQWIJVOMA-UHFFFAOYSA-N 368.441 1.586 0 50 FDAA CCc1cccc(CC)c1NC(=O)CCN1CCN(S(C)(=O)=O)CC1 252500857 TWQSZRBSPGRFJY-UHFFFAOYSA-N 367.515 1.717 0 50 FDAA CNC(=O)[C@@H]1CN(C(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CCO1 183544646 UQBNMQCAHAPCOA-AWEZNQCLSA-N 356.382 1.201 0 50 FDAA O=C(N[C@H]1C[C@H](c2cc(O)ncn2)C1)c1ccccc1N1CCOCC1 253535968 ZOJAFYRIVCVIDD-HDJSIYSDSA-N 354.410 1.695 0 50 FDAA O=C(O)[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 299753427 YEYZKNQIONQQTB-XQQFMLRXSA-N 354.200 1.865 0 50 FDAA CNC(=O)c1cccc(CNC(=O)N2CCCC[C@@H]2CN2CCOCC2)c1 371100952 RCUUFLXJNRITKH-GOSISDBHSA-N 374.485 1.443 0 50 FDAA Cc1n[nH]c(C)c1CCNc1cc([C@H]2CCOC2)nc(N2CC(O)C2)n1 299767221 PNULTIPGLLFMGO-ZDUSSCGKSA-N 358.446 1.156 0 50 FDAA CSCC[C@H](NC(C)=O)C(=O)N1CCC(Cn2cc(C)cn2)CC1 299795837 NMIFPWVZTVSWFT-INIZCTEOSA-N 352.504 1.688 0 50 FDAA COc1cc2c(cc1CN1CC[C@@H](Nc3ncccn3)[C@H](O)C1)OCCO2 299793021 HVYJCKJFZKDBRI-HUUCEWRRSA-N 372.425 1.304 0 50 FDAA O=C(NCCCn1ccnn1)Nc1ccc(CC(=O)N2CCCC2)cc1 299802585 ZTJIHXRCNSNCIS-UHFFFAOYSA-N 356.430 1.655 0 50 FDAA NCCCOc1ccc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(F)cc2)cc1 299790807 CPWNXSVTHJJJCP-SFHVURJKSA-N 371.412 1.867 0 50 FDAA Cc1ccc(CN2C[C@H](C(=O)NCc3nc(C(=O)O)cs3)CC2=O)cc1 268912525 ZVYRULPUSKJDQX-CYBMUJFWSA-N 373.434 1.815 0 50 FDAA CC1(C)C[C@@H](NC(=O)N2CCN(Cc3nc[nH]n3)CC2)c2ccccc2O1 584888000 QYQUARQUEFBKMJ-OAHLLOKOSA-N 370.457 1.934 0 50 FDAA Cc1cccc(N2CC[C@H](CNC(=O)N3CCN(CCCO)CC3)C2)c1 584898216 WHQPRICZDILEFX-GOSISDBHSA-N 360.502 1.531 0 50 FDAA 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1.224 0 50 FDAA CCN1C(=O)C[C@@H](CNC(=O)c2cccnc2OC)[C@@H]1c1cccnc1 886035479 YBVNVMYBBGHXEU-YOEHRIQHSA-N 354.410 1.825 0 50 FDAA CC(C)(C(=O)N[C@H]1CCN(Cc2cscn2)C[C@@H]1O)N1CCCC1 1565514099 YXODNRBIYNINFK-GJZGRUSLSA-N 352.504 1.069 0 50 FDAA Nc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccn2)C3)cn1 1565529083 MKNNRPPWRPIDFY-HIFRSBDPSA-N 351.410 1.436 0 50 FDAA O=C(N[C@H]1CCN(c2ccc3c(n2)CCCC3)C[C@@H]1O)c1cnccn1 1565525459 GSCAAZDWCUHFJS-RDJZCZTQSA-N 353.426 1.120 0 50 FDAA O=C([C@H]1OCCc2ccccc21)N1CCN(c2cncc3ncnn23)CC1 275867354 ZQQSTHXUMKZLRO-SFHVURJKSA-N 364.409 1.087 0 50 FDAA CCC1(CC)CN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CC[S@@]1=O 186804045 CVWJRSGZASRQFU-JNDILOIQSA-N 368.421 1.547 0 50 FDAA COC(=O)[C@@H]1CCN2C(=O)N(c3ccc(O[C@@H]4CCOC4)cc3)C(=O)[C@@H]2C1 278178957 QOQYQUUGCVCFJT-WQVCFCJDSA-N 374.393 1.575 0 50 FDAA CN1CCN(CCNC(=O)c2csc(CCc3ccccc3)n2)CC1=O 170598705 WNGUHOOYURVSOO-UHFFFAOYSA-N 372.494 1.432 0 50 FDAA Cc1cnn(C[C@@H]2CN(C(=O)c3cc4nccnc4cc3F)CCO2)c1 281070438 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COCCNC(=O)c1cn([C@@H]2CCCN(C(=O)C3CCCCC3)C2)nn1 14994700 JDNJXVSWONECRH-OAHLLOKOSA-N 363.462 1.398 0 50 FDAA CCOC(=O)N1CCN(CCC(=O)Nc2cc(OC)ccc2OC)CC1 19841453 DIHWMVXYGRDAFV-UHFFFAOYSA-N 365.430 1.807 0 50 FDAA Cc1nn(C)c2c1[C@@H](NC(=O)c1ccc(N3CCOCC3)nc1)CCC2 1857667779 LRJLAPJDQFMARL-HNNXBMFYSA-N 355.442 1.768 0 50 FDAA CCCc1nnc(N2C[C@@H](C(=O)N(C)Cc3ncc(C)[nH]3)CC2=O)s1 1857698035 SQIVCRCGGTWDAU-NSHDSACASA-N 362.459 1.534 0 50 FDAA CCN1CCOC2(CCN(C(=O)CCc3cc(Cl)no3)CC2)CC1=O 1857705067 RAXUUAQLBNWLMJ-UHFFFAOYSA-N 369.849 1.891 0 50 FDAA Cc1nonc1C(=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857718806 UIHXBNOXDJLYLH-QLFBSQMISA-N 362.817 1.976 0 50 FDAA O=C(Cn1c(=O)oc2ccccc21)N1CCO[C@@H](CO)[C@@H]1c1ccccc1 1875242402 QQJRUYZQXDRQJC-HKUYNNGSSA-N 368.389 1.556 0 50 FDAA COc1ccccc1CN1CCN(C(=O)[C@H]2CC[C@H](N)[C@@H](OC)C2)CC1 1875243110 QKJOZKKJDITLBZ-IEZWGBDMSA-N 361.486 1.482 0 50 FDAA Cc1noc([C@@H]2CC[C@H](CNS(=O)(=O)Cc3ccc(F)cc3F)O2)n1 328616053 ZVQANLDFBWDLCR-OCCSQVGLSA-N 373.381 1.996 0 50 FDAA O=C(O)CC[C@H]1CCCCN1C(=O)Cn1cc(Br)ccc1=O 237987457 DJJUNGWDQAMBNM-GFCCVEGCSA-N 371.231 1.857 0 50 FDAA Cc1c(NC(=O)CN2CCCS2(=O)=O)cnn1-c1ccccc1F 129642385 XWKONNWAXUOPQN-UHFFFAOYSA-N 352.391 1.294 0 50 FDAA CCN1CCN(Cc2ccc(CNC(=O)Cn3nccc3C)cc2)CC1 858501420 NTEAEJGDYJBEGO-UHFFFAOYSA-N 355.486 1.645 0 50 FDAA COc1ccc(OC)c(Nc2nc3nonc3nc2N2CCOCC2)c1 1059500 FPNBAVIWUBVQHF-UHFFFAOYSA-N 358.358 1.610 0 50 FDAA CCCO[C@@H]1CC[C@H](C(=O)NC2CCC2)C[C@H]1NC(=O)c1[nH]nnc1C 2100483593 GVJQFXPBLUOXTR-NWANDNLSSA-N 363.462 1.476 0 50 FDAA COc1cccc2c1C[C@H](NC(=O)[C@@H](O)[C@H](O)c1nc3ccccc3[nH]1)C2 2325751440 AOTNHQQEJHTCNC-UUWFMWQGSA-N 367.405 1.249 0 50 FDAA COC(=O)c1ccc(COC(=O)CN2C(=O)c3ccccc3C2=O)cc1 1141303 MGWJUJHYKCABQR-UHFFFAOYSA-N 353.330 1.813 0 50 FDAA O=C(c1n[nH]c2ccccc12)N1CCc2nc(C3CCOCC3)nn2CC1 2356151986 KTHIVSWECCXLRI-UHFFFAOYSA-N 366.425 1.747 0 50 FDAA COCCN1Cc2nnc(-c3cc[nH]n3)n2[C@H](Cc2ccccc2)C1=O 2356158689 VRJHVEFYLMHSIW-OAHLLOKOSA-N 352.398 1.441 0 50 FDAA O=C(NCc1cn2c(n1)SCC2)[C@@H]1CC(=O)N(c2cccc(O)c2)C1 102535454 ZGLPHXUUIGHGMD-LLVKDONJSA-N 358.423 1.364 0 50 FDAA CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)c(C)c1 55764392 UJFLOIPQTRBEJM-AWEZNQCLSA-N 353.444 1.107 0 50 FDAA COC(=O)[C@@H](NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)c1ccccc1 170191580 WGNPANXIGHQYHK-LRDDRELGSA-N 366.373 1.702 0 50 FDAA C[C@H](NC(=O)CN1Cc2ccccc2C[C@H]1C(N)=O)c1ccc(F)cc1 248379242 MEPVYPSPSQCJMH-UGSOOPFHSA-N 355.413 1.915 0 50 FDAA Cn1ccnc1SCC(=O)NC1CCN(C(=O)c2ccccc2)CC1 53353731 RQQJXNAZSKMHOW-UHFFFAOYSA-N 358.467 1.933 0 50 FDAA COc1cc(OC)c2nc(NCCCN(CCO)CCO)cc(C)c2c1 65509324 AWLMBEFGFAGNPC-UHFFFAOYSA-N 363.458 1.649 0 50 FDAA CNC(=O)CNc1ccc(C(=O)N2CCCC[C@@H]2CCn2cccn2)cn1 67654777 ORPXQIDDGKTXMP-MRXNPFEDSA-N 370.457 1.521 0 50 FDAA O=C(Cn1nc(N2CCOCC2)ccc1=O)Nc1ccc2cc[nH]c2c1 61720066 CTVGNWMEBLIQOB-UHFFFAOYSA-N 353.382 1.200 0 50 FDAA Cc1cccc(N([C@H](C)C(=O)NC2CCN(C)CC2)S(C)(=O)=O)c1 65363240 UMLBZHKFEBSAFA-CQSZACIVSA-N 353.488 1.360 0 50 FDAA Cc1ccccc1OC[C@H](O)C(=O)NCc1c(C)ncc2c1CCNC2 72431135 JCIINSRMGLCGHW-SFHVURJKSA-N 355.438 1.400 0 50 FDAA COc1ccccc1-n1cc(CN2CCN(c3ccnc(N)n3)CC2)cn1 65530088 JSIFCEBTPKNOTQ-UHFFFAOYSA-N 365.441 1.575 0 50 FDAA COC[C@H]1CCC[C@H]1NS(=O)(=O)c1sc2c(c1C(=O)O)CCNC2 67741693 TWECSUXGLCFRDB-MWLCHTKSSA-N 374.484 1.185 0 50 FDAA CCc1nnc(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)s1 67213533 YIZCIHFJGXBDGX-VDDIYKPWSA-N 355.489 1.765 0 50 FDAA CC(=O)N[C@@H]1CCN(C(=O)c2cc(COc3cccc(C(C)=O)c3)[nH]n2)C1 67490459 YVFQYYQMEFDMCM-OAHLLOKOSA-N 370.409 1.542 0 50 FDAA O=C(Nc1ccc(N2CCOCC2)c2nonc12)[C@H]1CCCC[C@H]1C(=O)O 4124132 NGWDMMNGTUXLAO-NWDGAFQWSA-N 374.397 1.889 0 50 FDAA CC(=O)N1CCC(C(=O)N2C[C@H](c3ccccc3C)[C@@H](C(=O)O)C2)CC1 219512612 UINJVRLUXURERT-MSOLQXFVSA-N 358.438 1.880 0 50 FDAA O=C(NCc1cccc2c1OCO2)[C@H]1CC(=O)N(Cc2ccccn2)C1 363091750 CGZVLHSIRNABEQ-AWEZNQCLSA-N 353.378 1.475 0 50 FDAA NC(=O)c1cccc(CCNC(=O)NCc2ccnc(-n3ccnc3)c2)c1 363386431 OSVDDQLIPNANTB-UHFFFAOYSA-N 364.409 1.408 0 50 FDAA CCc1noc(C)c1C(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 329536083 ZWOSSXGYTPYYQI-CYBMUJFWSA-N 372.385 1.543 0 50 FDAA CNC(=O)c1cccc(NC(=O)N2CCNC(=O)[C@H]2c2ccccc2F)c1 363728890 JUUPORFKSUKVDW-MRXNPFEDSA-N 370.384 1.890 0 50 FDAA OC[C@]1(c2ccccc2)CCCN(c2cc(N3CCOCC3)ncn2)C1 370567554 GWCOJGYFAKLYJX-FQEVSTJZSA-N 354.454 1.844 0 50 FDAA O=C(Nc1cnn(CC(=O)N2CCOCC2)c1)[C@H](c1ccccc1)C1CC1 156028285 AQDSSDOHVMCTQS-LJQANCHMSA-N 368.437 1.874 0 50 FDAA O=C(c1ccc[nH]1)N1CCC(Oc2ccc3c(c2)OCO3)(C(=O)O)CC1 72431074 SIBBCTGSQQVSEQ-UHFFFAOYSA-N 358.350 1.882 0 50 FDAA CC(=O)N1CC2(CCN(Cc3nc(C(C)C)no3)CC2)C[C@H]1C(=O)O 72168336 JAMBPNPGXYFSJK-ZDUSSCGKSA-N 350.419 1.481 0 50 FDAA O=C(NC1CC1)c1noc([C@H]2CCCN2Cc2cn3ccccc3n2)n1 328636194 NXSXSJZBAYAATA-CQSZACIVSA-N 352.398 1.947 0 50 FDAA Cc1cnc(CN2C[C@@]3(CCCN(c4cnccn4)C3)CCC2=O)cn1 77377645 ADMUXBCXOOVGDJ-IBGZPJMESA-N 352.442 1.984 0 50 FDAA Cc1cccc(C)c1OCc1nnc([C@H]2CN(S(C)(=O)=O)CCO2)o1 328650244 VLGLSKLDKFPIKK-CYBMUJFWSA-N 367.427 1.598 0 50 FDAA CCn1c(CC2CCNCC2)nn(Cc2nc(-c3ccccc3)no2)c1=O 71405617 KXSRLAZBKFAZIZ-UHFFFAOYSA-N 368.441 1.705 0 50 FDAA COC[C@@H]1[C@@H](NC(=O)c2cnc(Nc3ccccc3)nc2)[C@@H]2CCO[C@@H]21 219794444 LIUZFAREZZILBZ-YVSFHVDLSA-N 354.410 2.000 0 50 FDAA O=C(NCc1nncn1C1CC1)[C@H]1CCN(c2cccc(Cl)c2)C1=O 173576805 ZUVPUBKXGSZERT-CQSZACIVSA-N 359.817 1.936 0 50 FDAA CNC(=O)c1ccc([C@@H]2CCCCN2Cc2cnc(N(C)C)n2C)n1C 331646910 QFHGEORXCYBADF-INIZCTEOSA-N 358.490 1.911 0 50 FDAA CC[C@H](C(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1)N1CCCC1 77302981 HVPMTILSLVXLSN-GOSISDBHSA-N 359.470 1.854 0 50 FDAA CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@H]1CCc2nnc(C)n2C1 378557570 JHPWLQHPCKZWTI-AWEZNQCLSA-N 357.414 1.862 0 50 FDAA Cn1c(CN2CCOCC2)nnc1C1CCN(Cc2cccnc2)CC1 77438235 AKLCSVXSEYGAOB-UHFFFAOYSA-N 356.474 1.422 0 50 FDAA COCc1cc(N2CCC(N3C[C@H](C)O[C@H](C)C3)CC2)n2nccc2n1 72417857 XKKIYDLXWBNYNP-GASCZTMLSA-N 359.474 1.954 0 50 FDAA O=C([C@H]1CCOC1)N1CCCn2nc(CN3CCSCC3)cc2C1 72428507 LHVHPWSXUWWXLC-AWEZNQCLSA-N 350.488 1.201 0 50 FDAA CCN(C(=O)c1cnc(Nc2ccccc2)nc1)[C@H]1CCS(=O)(=O)C1 77406357 WTMXWJWJNNCVON-HNNXBMFYSA-N 360.439 1.869 0 50 FDAA Cc1nonc1OCCNc1nc(-c2cccnc2)nc2c1CCNC2 71419469 IJXJUOIPZQQYAF-UHFFFAOYSA-N 353.386 1.367 0 50 FDAA COc1ccc(CN2CCC(NS(C)(=O)=O)CC2)c(Cl)c1OC 215910112 RQSKPQBJSMDSAV-UHFFFAOYSA-N 362.879 1.871 0 50 FDAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1cnn(C)c1)C2 72129642 FSHCDJJTSBTDGK-AQNXPRMDSA-N 362.518 1.760 0 50 FDAA C[C@H](N)[C@H]1CCCN(C(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)C1 237453528 JYHNNRSHAJIRJE-IPYPFGDCSA-N 365.499 1.597 0 50 FDAA Cn1cc([C@@]2(C)CN(C(=O)c3cccc(-n4cncn4)c3)CCO2)cn1 128746430 QCKUVLBLQZWPHD-GOSISDBHSA-N 352.398 1.389 0 50 FDAA Cc1ccc2c(c1)c(C(=O)N[C@H](c1cnn(C)c1)[C@H]1C[C@H](O)C1)nn2C 220539233 KALIUCCLMBCWTM-QEORTHHSSA-N 353.426 1.857 0 50 FDAA Cc1c(C(=O)N2CC[C@H](N)C2)nnn1-c1cccc(Br)c1 237766466 JXGTZYFYLAORLH-NSHDSACASA-N 350.220 1.511 0 50 FDAA C[C@H]1CN(C(=O)c2cn(C3CCNCC3)nn2)[C@H](c2ccccc2)CO1 237758584 YMPJFLUWOLKXHM-KSSFIOAISA-N 355.442 1.805 0 50 FDAA Cc1cc(N2CCCN(C(=O)Cn3nc4ccccc4n3)CC2)ccn1 82137556 NSKBMQMZHUCJBB-UHFFFAOYSA-N 350.426 1.874 0 50 FDAA Cc1n[nH]c(SCCNC(=O)C2(N3CCOCC3)CCCCC2)n1 222615628 KZECOELILIXPBM-UHFFFAOYSA-N 353.492 1.357 0 50 FDAA CN1CCN(S(=O)(=O)c2cccc(C(=O)N3CCCCC3)c2)CC1 41318281 OZIUGOLNYTUYBH-UHFFFAOYSA-N 351.472 1.249 0 50 FDAA CCn1ncc(Br)c1CN(C)C(=O)c1c(C(=O)O)cnn1C 20614771 FUWDSEOHPQABNC-UHFFFAOYSA-N 370.207 1.369 0 50 FDAA Cc1ncc(CC(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)c(=O)[nH]1 82106592 VWUZRWPFYJHVSF-UHFFFAOYSA-N 367.409 1.046 0 50 FDAA Cc1ccc(OC2(C(=O)O)CCN(c3nc(N)nc4[nH]ncc34)CC2)cc1 82106287 XIVLWORPVPZLMQ-UHFFFAOYSA-N 368.397 1.746 0 50 FDAA O=C(NCCn1[nH]c(=O)c2ccccc2c1=O)[C@H]1CCc2ccccc2O1 221272528 RBRMXGLMMOWVCV-QGZVFWFLSA-N 365.389 1.200 0 50 FDAA Cc1ncsc1CCN(C)c1cc([C@H]2CCOC2)nc(NCCO)n1 426370197 BLBGOCSMJJTVFX-ZDUSSCGKSA-N 363.487 1.829 0 50 FDAA O=C1CCC2(CCN(Cc3ncon3)CC2)CN1CCc1ccncc1 91468462 ZCEDYIHZFVREJK-UHFFFAOYSA-N 355.442 1.912 0 50 FDAA COCC1(C(=O)N2C[C@H]3CN(c4ccccn4)C[C@@]3(C(=O)O)C2)CCC1 91595554 PFBNETLWPAEGTG-AUUYWEPGSA-N 359.426 1.248 0 50 FDAA COCCN1CCC[C@@]2(CCN(S(=O)(=O)c3ccccc3F)C2)C1=O 95354639 LTEMEJUIMADGKL-KRWDZBQOSA-N 370.446 1.475 0 50 FDAA Cc1cc(C)c2[nH]c(CN3CCN(C(=O)c4nc[nH]n4)CC3)cc(=O)c2c1 91859090 FZESNEITVBEWDI-UHFFFAOYSA-N 366.425 1.221 0 50 FDAA C[C@H]1CCCN(C(=O)c2ccc(NC(=O)NCc3n[nH]c(=O)[nH]3)cc2)C1 97604264 BIOJQKHNUOFOGU-NSHDSACASA-N 358.402 1.292 0 50 FDAA O=C(NCCCn1nccc1C1CC1)[C@H]1CC(=O)N(Cc2cccnc2)C1 95497432 AMXUBTHKBIGTCY-KRWDZBQOSA-N 367.453 1.711 0 50 FDAA CNC(=O)[C@@H]1C[C@@H](NC(=O)CCC(=O)c2cccc3ccccc23)CN1C 95522565 ADZFLZXVBUBRDL-QAPCUYQASA-N 367.449 1.738 0 50 FDAA O=C(Cc1cnc[nH]c1=O)N1CC[C@]2(CCCN(C3CCCC3)C2=O)C1 91620088 CSWKUEHAXQCUKA-LJQANCHMSA-N 358.442 1.096 0 50 FDAA CN(C)S(=O)(=O)c1ccccc1CN[C@@H]1CCCC[C@@H]1S(C)(=O)=O 182307012 OZLAYHWXXLDZKO-ZBFHGGJFSA-N 374.528 1.382 0 50 FDAA Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1c(C)nn(CC(C)C)c1C 182733314 MBKIJFMMGFVPDO-AWEZNQCLSA-N 366.491 1.869 0 50 FDAA CC(C)(C)c1noc(CNS(=O)(=O)c2cccc3nsnc23)n1 534581458 KIJXTDRHQCLMDE-UHFFFAOYSA-N 353.429 1.850 0 50 FDAA CN1CCO[C@H](CNC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 534676095 FDERGYZNBQBZML-MRXNPFEDSA-N 367.877 1.664 0 50 FDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCc1ccno1)CO2 71613893 NVGITIZCPMTKNP-CYBMUJFWSA-N 358.398 1.280 0 50 FDAA O=C(O)c1cc2n(n1)CCN(C[C@@H](c1cccnc1)N1CCCCC1)C2=O 1940198395 NDFSEDOSZHJDOV-KRWDZBQOSA-N 369.425 1.659 0 50 FDAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3ccccc3-c3nnn[nH]3)[C@H]2C1 299779854 OFKGHLRPPHFTAL-HNJNHCNJSA-N 357.414 1.665 0 50 FDAA CS(=O)(=O)N1CCn2nc(CNc3nc(-c4ccccc4)no3)cc2C1 299795472 LACPGFGKPTUIQV-UHFFFAOYSA-N 374.426 1.320 0 50 FDAA Cc1nn(C)c(C)c1CCC(=O)N1CCC([C@H](O)c2nccn2C)CC1 827908309 BQEHGCLOFMIXTD-SFHVURJKSA-N 359.474 1.675 0 50 FDAA COCCn1cnnc1[C@H](C)NC(=O)c1cnc(-c2ccccn2)nc1 824466021 BRHXZXISZCYRQQ-LBPRGKRZSA-N 353.386 1.268 0 50 FDAA NC(=O)c1cnc(C2CCN(C[C@@H](O)c3ccc(F)cc3F)CC2)[nH]1 952848882 AHXBOELCLXAHHQ-OAHLLOKOSA-N 350.369 1.700 0 50 FDAA CNCCCC(=O)N1CCC(c2nc(C(F)(F)F)n3c2CNCC3)CC1 1875393415 MZCNYGAIGJJFLX-UHFFFAOYSA-N 373.423 1.711 0 50 FDAA COC1(CNC(=O)C2[C@@H]3CCC[C@@H]23)CN(C(=O)c2nc(C)ccc2C)C1 1875345938 NIOXNKBENSQFNJ-HUUCEWRRSA-N 357.454 1.702 0 50 FDAA COc1cc(Br)cc(CCNC(=O)C[C@@H]2CNC[C@H]2O)c1 1875400600 FYTOKEVLTOKJLJ-BXUZGUMPSA-N 357.248 1.087 0 50 FDAA COCC(=O)Nc1ccc(NC(=O)c2ccc(C)n(C)c2=O)cc1OC 952965879 CIWSXIYANBZZAG-UHFFFAOYSA-N 359.382 1.540 0 50 FDAA Cc1cc(C(=O)NC[C@H]2CCCN(c3ncccc3C(=O)O)C2)nc(C)n1 952985526 BJGSZALPAHPFLQ-CQSZACIVSA-N 369.425 1.833 0 50 FDAA Cc1cccc(N2CCN(CCC(=O)N3C[C@H]4CCCN[C@H]4C3)CC2)c1 1565526381 FZKSPLLZROOMLQ-QUCCMNQESA-N 356.514 1.718 0 50 FDAA O=C(N[C@H]1CCOC[C@@H]1OCc1cscn1)C1(Cn2ccnc2)CC1 1565505512 LFYUGEZKUXWIMT-GJZGRUSLSA-N 362.455 1.610 0 50 FDAA CC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)cc1C 271652343 SJBJHLRCEBTOMA-HNNXBMFYSA-N 360.410 1.938 0 50 FDAA O=C(NC[C@@H]1CCOC1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 275485097 USOFMOLBRMJGGL-HOTGVXAUSA-N 360.458 1.881 0 50 FDAA CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCn2cccc2[C@H]1c1ccccc1 277305325 DUCYZVHKZLCSFM-QXAKKESOSA-N 353.422 1.401 0 50 FDAA C[C@@H]1Oc2c(cccc2C(=O)NCCc2cn3c(n2)CCCC3)NC1=O 170621562 RBESMSMZWMIJCV-LBPRGKRZSA-N 354.410 1.911 0 50 FDAA NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](CO)[C@H](c3ccsc3)C2)c1 188878741 OYISMPIZTOFRAO-ZFWWWQNUSA-N 366.464 1.244 0 50 FDAA NCCN1C(=O)CC[C@@H]2CN(C(=O)c3ccc4ncccc4c3)CC[C@@H]21 215377878 WKTJPICWQYHRBX-AEFFLSMTSA-N 352.438 1.647 0 50 FDAA CCc1[nH]nc2c1CN(C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1)CC2 1529125950 CQCDVIXLIAWBJT-MSOLQXFVSA-N 354.410 1.113 0 50 FDAA COCCCn1cnnc1[C@@H](C)Nc1ccc(C(=O)N2CCOCC2)cn1 1529152500 ULLWDFIDMDNDIL-CQSZACIVSA-N 374.445 1.355 0 50 FDAA CN1CCC[C@]2(C(=O)O)CCN(c3ccc(CN4CCOCC4)cn3)C[C@@H]12 1704344359 LWTALKSHNILAEI-XLIONFOSSA-N 374.485 1.289 0 50 FDAA Cc1nc(-c2ccccc2)[nH]c1C(=O)N1C[C@@H]2COCC[C@]2(C(=O)O)C1 1772708363 GJZVMGFVDUPCHQ-KUHUBIRLSA-N 355.394 1.948 0 50 FDAA O[C@@H](COc1cccc(CNCCCn2ccnc2)c1)CN1CCOCC1 12305046 HVWOEERKINKJKV-LJQANCHMSA-N 374.485 1.135 0 50 FDAA OCc1cn(CC2CCN(Cc3cccc(-n4cccn4)c3)CC2)nn1 19535767 XMNNYVCBSXVLKD-UHFFFAOYSA-N 352.442 1.868 0 50 FDAA CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccco2)cc1 2856092 JJDNATVGNBDGNF-UHFFFAOYSA-N 352.412 1.663 0 50 FDAA CCc1cnc(N[C@H]2C[C@H]3COc4ccccc4S(=O)(=O)N3C2)nc1 1857670648 DGVJFEWUQLXGCF-KBPBESRZSA-N 360.439 1.675 0 50 FDAA O=C(c1ccccc1N1CCOCC1)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1857716817 FUIYGUPPSCNBFB-YLJYHZDGSA-N 371.481 1.458 0 50 FDAA Cc1c(C(=O)N2C[C@H](c3ccncc3)[C@@H](C(=O)O)C2)cnc2ccnn12 216854743 LTZZNOCULMIWMP-CABCVRRESA-N 351.366 1.373 0 50 FDAA Cc1c([C@H]2[C@H](CNCc3nc4ccccc4n3C)CC(=O)N2C)cnn1C 328639717 XAFMRJIZCQILCT-VBKZILBWSA-N 366.469 1.924 0 50 FDAA Cn1ncc(Br)c1C(=O)N1CCC(c2nnc(O)o2)CC1 331900173 IRIFIQBQGYBEFJ-UHFFFAOYSA-N 356.180 1.291 0 50 FDAA C[C@H]1CN(C(=O)c2cn(C3CCNCC3)nn2)C[C@H](c2ccccc2)O1 237758488 CHSLDDWCMCPSNC-KBXCAEBGSA-N 355.442 1.805 0 50 FDAA O=C(O)c1cccc(C(=O)N2CCN(Cc3nccn3C(F)F)CC2)c1 821547252 RBYOLAXVLNYWIY-UHFFFAOYSA-N 364.352 1.934 0 50 FDAA O=C(N[C@@H]1CCN(c2ncccc2F)C1)[C@H]1C[C@]1(C(=O)O)c1ccccc1 905113935 AXENVRITEDUVLC-SXGZJXTBSA-N 369.396 1.958 0 50 FDAA CN1CCC[C@]2(CO)CCN(S(=O)(=O)c3ccccc3Cl)C[C@@H]12 1704299796 UCDUPVBKBOYHEF-HZPDHXFCSA-N 358.891 1.807 0 50 FDAA Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CN(C4CC4)C[C@@H]3C)CC2)cc1 809405031 MXWOXOHJBZUBIS-LPHOPBHVSA-N 370.497 1.243 0 50 FDAA O=C(N[C@@H]1CCN(c2ccccc2F)C1)N1CCC[C@H](c2nc(O)n[nH]2)C1 827926839 CDTIULRAXQSQQU-QWHCGFSZSA-N 374.420 1.817 0 50 FDAA Cc1cnn(-c2cccc(C(=O)N[C@@H]3C[C@@H](Cn4cccn4)C[C@H]3O)c2)c1 2325786026 YUEQWQFOFFDSSN-ATZDWAIDSA-N 365.437 1.947 0 50 FDAA CO[C@H](C)[C@@H]1NC(=O)[C@@]2(CCc3cc(Br)ccc32)NC1=O 2325809008 QWLBOFFKEPDQEF-XHYYPMHDSA-N 353.216 1.240 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1ccc2c(c1)NCCCN2 2325812056 AIPVLZJCKSOXNX-FSPWUOQZSA-N 355.442 1.680 0 50 FDAA COC(=O)c1ccccc1Cc1nc(-c2cc3c(nc2O)CCNC3)no1 2325850219 PZGWZAUDLUOCRU-UHFFFAOYSA-N 366.377 1.860 0 50 FDAA CCC(=O)NCc1ccc(CN2CCN(c3cc(F)ncn3)CC2)cc1 2325868136 PREIWYJDAWAGFC-UHFFFAOYSA-N 357.433 1.964 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)Nc2ccc(NS(C)(=O)=O)cc2)C1 2325888709 SPCDXMLPDJKZRS-LBPRGKRZSA-N 351.428 1.421 0 50 FDAA CN1C[C@H]2C[C@@H](N(C)S(=O)(=O)N(C)Cc3ccccc3)C[C@H]2CC1=O 2356156902 WCXWJLSLTKIWHY-BBWFWOEESA-N 365.499 1.552 0 50 FDAA O=C(c1ccccc1C(F)(F)F)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1 2356157173 CTQUNMBZXZRAPR-CZUORRHYSA-N 356.344 1.809 0 50 FDAA COCCn1c(=O)c2c(nc3n2CCCN3c2cccc(C)c2)n(C)c1=O 8617905 UXCIKDAQROQEDW-UHFFFAOYSA-N 369.425 1.393 0 50 FDAA CN(C)C(=O)N1CCC[C@@H](C(=O)Nc2nnc(C(F)(F)F)s2)C1 59745177 LEFRQNSCRNXNTR-SSDOTTSWSA-N 351.354 1.889 0 50 FDAA CCC[C@H]1CCN(Cc2cn(C3CCN(S(=O)(=O)CC)CC3)nn2)C1 63832688 JYTPJUAOXIUIMJ-HNNXBMFYSA-N 369.535 1.887 0 50 FDAA Cc1nc2ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2nc1C 61038741 UIFXJDVFHGEBEB-UHFFFAOYSA-N 370.434 1.824 0 50 FDAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1N1CCCC1=O 20483240 BQPGVQVQCRPUMJ-LBPRGKRZSA-N 354.428 1.279 0 50 FDAA COc1ccc2c(c1)OC[C@@H](C(=O)N1CCN(c3ccncc3)CC1)C2 64486646 JWKHSRRJBATNQZ-INIZCTEOSA-N 353.422 1.990 0 50 FDAA CCn1c(C2CCN(c3cc(C(=O)N4CCCC4)ccn3)CC2)n[nH]c1=O 67856335 KXWMPOGVIALQDI-UHFFFAOYSA-N 370.457 1.606 0 50 FDAA Cc1nc(CC(C)C)cc(C(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)n1 20774609 HNBYOPZIOOEIRL-UHFFFAOYSA-N 370.457 1.040 0 50 FDAA CCCN1C(=O)N[C@H](CC(=O)N(CCN2CCCCCC2)C(C)C)C1=O 65499998 XOKNWJNIZRRHDV-MRXNPFEDSA-N 366.506 1.820 0 50 FDAA COCCN1CC[C@@H](CNC(=O)Nc2cccc(-n3nnnc3C)c2)C1 62389174 WZDWTKPIJDSLFQ-AWEZNQCLSA-N 359.434 1.061 0 50 FDAA CC(C)N1CCCn2nc(C(=O)NCC(=O)Nc3nccs3)cc2C1 65370872 CYJNWZMUFJBVKL-UHFFFAOYSA-N 362.459 1.322 0 50 FDAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)Nc1cnc(N(C)C)nc1 331563037 GITNISPNLJUEKQ-ZFWWWQNUSA-N 359.434 1.545 0 50 FDAA CC(C)c1nnc([C@@H]2COCCN2C(=O)[C@H](C)OC[C@@H]2CCCO2)o1 328611268 KZAVKWRGJNJLHZ-IHRRRGAJSA-N 353.419 1.677 0 50 FDAA Cc1ccc(C(=O)NCCNC(=O)N[C@H]2c3ccccc3C[C@@H]2O)cc1F 122947424 AGQHFNQBYGMASB-ROUUACIJSA-N 371.412 1.821 0 50 FDAA 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352.398 1.633 0 50 FDAA CC(C)[S@](=O)c1ccc(C(=O)NCCc2nnc(S)n2C)cc1 170644187 QRSCKCULRAJVQQ-QHCPKHFHSA-N 352.485 1.592 0 50 FDAA C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N[C@](C)(CO)C1CC1)C2=O 759526290 RNYWTQXKAJTHTO-DPMMWBKBSA-N 365.474 1.400 0 50 FDAA CN1CCC(n2nccc2NC(=O)c2ccc(Cn3cnnn3)cc2)CC1 1506411696 KAFIVLBEEIPHJP-UHFFFAOYSA-N 366.429 1.437 0 50 FDAA Cc1cc2[nH]c(CN(C)C[C@H]3Cc4ccccc4CN3C)cc(=O)n2n1 1529186365 XTVMUOBXDBNWRI-GOSISDBHSA-N 351.454 1.820 0 50 FDAA O=C(CCc1nc2ccc(F)cc2[nH]1)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1529180099 AYYPTUSINYLSJK-SJKOYZFVSA-N 369.400 1.487 0 50 FDAA COc1ccc(C(=O)N2CCC3(CC2)C[C@](C)(O)[C@@H](O)CO3)c(OC)c1 1704300367 UIBKIBFTPZGGIU-WMZOPIPTSA-N 365.426 1.211 0 50 FDAA Cc1cc(C[C@@H]2CN(C(=O)COc3ccc(F)c(Cl)c3)C[C@H]2O)n[nH]1 1704355585 SDSQWAWQZLTTKX-BDJLRTHQSA-N 367.808 1.951 0 50 FDAA O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCc2ccccc2F)cc1 12002534 CZWZDCXYNCPSIH-UHFFFAOYSA-N 362.382 1.958 0 50 FDAA CC(C)n1ccc(CC(=O)N[C@H]2C[C@H](Cn3cc(Cl)cn3)C[C@@H]2O)n1 1857531301 FPHMHJCNMGQOOD-RCBQFDQVSA-N 365.865 1.812 0 50 FDAA CCC(=O)c1ccc(OCC(=O)N2CC[C@H](O)[C@@]3(CCCNC3=O)C2)cc1 1857693101 IATDUSBJSORUSC-FXAWDEMLSA-N 374.437 1.148 0 50 FDAA Cc1ccc2nccc(C(=O)N[C@H]3C[C@H]4CO[C@@H](CCO)CN4C3)c2c1 1857710227 MVYKBSHCCPCLSW-JYJNAYRXSA-N 355.438 1.497 0 50 FDAA Cc1ccn2ncc(C(=O)N[C@H]3CCN(c4ccccc4F)C3=O)c2n1 112262095 WKCPERWHPGXYKP-AWEZNQCLSA-N 353.357 1.712 0 50 FDAA O=C(Cn1cnc(-c2ccccc2)n1)N1CCC[C@@](O)(C(F)(F)F)C1 332629652 GPXVGDRKEPRRRP-HNNXBMFYSA-N 354.332 1.861 0 50 FDAA NS(=O)(=O)Cc1cccc(C(=O)N2CCCC[C@@H]2CCC(=O)O)c1 262140583 ABIIVYZPHUTRHZ-CQSZACIVSA-N 354.428 1.335 0 50 FDAA CNS(=O)(=O)C1CCN(C(=O)c2[nH]c3ccccc3c2Cl)CC1 264670313 GNTBCWKLDOIFSG-UHFFFAOYSA-N 355.847 1.975 0 50 FDAA CNC(=O)Cc1noc([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 162799876 DYSCFQCELHICPR-CYBMUJFWSA-N 360.389 1.446 0 50 FDAA CS(=O)(=O)Nc1ccc(Cl)c(NS(=O)(=O)N2CCCCC2)c1 266061915 VKBHKDOJSCZERY-UHFFFAOYSA-N 367.880 1.854 0 50 FDAA CN(C)[C@H]1C[C@H](NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)C12CCC2 828005926 UOABNORXHMYZNE-KBPBESRZSA-N 362.474 1.230 0 50 FDAA CN1CC[C@H](NC(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C(C)(C)C1 2325784499 NDIRCDJIPWTWAW-YOEHRIQHSA-N 373.501 1.394 0 50 FDAA O=C(N1CCN(c2ncnc3ccsc23)CC1)[C@]12CCC[C@@]1(C(=O)O)C2 2325792204 LFJQMOCYYCMZCJ-MSOLQXFVSA-N 372.450 1.985 0 50 FDAA Clc1cc(N2C[C@@H]3OCO[C@@H]3C2)ncc1I 2325874654 VXTXOMJYWMKBQK-DTORHVGOSA-N 352.559 1.901 0 50 FDAA O=C(NCc1ccccn1)C(F)(F)C(F)(F)C(=O)NCc1ccccn1 2745417 AZMRZRDJGSMTKA-UHFFFAOYSA-N 370.306 1.680 0 50 FDAA Cc1noc2ncnc(N3CCN(Cc4ccccc4)[C@@H](CCO)C3)c12 106946754 RPQLUOPTEKVSIO-INIZCTEOSA-N 353.426 1.999 0 50 FDAA C[C@H](Cc1ccsc1)NC(=O)N1CCN(CC(=O)N2CCCC2)CC1 52584682 JOLRRXSTCYSSJN-OAHLLOKOSA-N 364.515 1.629 0 50 FDAA NC(=O)c1ccc([C@H]2CCCN2C(=O)Cn2nc3ccccc3n2)s1 23232008 TZCVMJSIZMOXSB-CYBMUJFWSA-N 355.423 1.955 0 50 FDAA COCCn1c(CN2C[C@H](C)O[C@H](C)C2)cnc1S(=O)(=O)CC1CC1 20996377 GLXICLQTPOXRSS-OKILXGFUSA-N 371.503 1.322 0 50 FDAA Cc1cc(C)n(-c2ccc3nnc(CCC(=O)Nc4ccncc4)n3n2)n1 67630428 HGPLINYCKAUTDA-UHFFFAOYSA-N 362.397 1.893 0 50 FDAA COc1ccc2c(c1)C[C@H](NCCN1CCN(c3ncccn3)CC1)CC2 67867753 DAVGLNUNWLSJPX-LJQANCHMSA-N 367.497 1.754 0 50 FDAA COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc2cccc(C)c2nc1C 67879654 CIVBKEWQSOPWSJ-OAHLLOKOSA-N 355.394 1.355 0 50 FDAA CCN1C[C@H](CNC(=O)c2coc(COc3ccc(F)cc3)n2)CC1=O 67691169 WCBADRYGZCEBBU-LBPRGKRZSA-N 361.373 1.991 0 50 FDAA COc1ccccc1[C@@H]1CCCN1C(=O)Cn1ncc(N(C)C)cc1=O 20586537 LUPBLHMWTXATKL-INIZCTEOSA-N 356.426 1.682 0 50 FDAA Cc1cc(C(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)cc(=O)[nH]1 67515062 RZSLYMDWWWUIFQ-LSDHHAIUSA-N 356.378 1.403 0 50 FDAA CCn1c([C@@H]2CCCN(C(=O)Cc3sc(C)nc3C)C2)nn(C)c1=O 67714112 HDLXLCQAFWWOAX-CYBMUJFWSA-N 363.487 1.624 0 50 FDAA Cc1nscc1C(=O)N1CCC[C@@H](N(C)Cc2nccc(N)n2)CC1 328631367 KLCZECPIJKGXQM-CYBMUJFWSA-N 360.487 1.950 0 50 FDAA CCN(Cc1nnc(C)o1)[C@H]1CN(Cc2cccc3c2OCO3)C[C@H]1O 328627813 GOKGLMRVYMCYOL-LSDHHAIUSA-N 360.414 1.174 0 50 FDAA CC(=O)NCC(=O)N1CCC(Oc2ccc(Cl)cc2)(C(=O)O)CC1 65425077 QMGSASNHTRTZKH-UHFFFAOYSA-N 354.790 1.301 0 50 FDAA Cc1nn(C)c2ncnc(N3CCN(Cc4ccco4)[C@H](CCO)C3)c12 72409460 VZXXLVHBVNVOIO-CQSZACIVSA-N 356.430 1.338 0 50 FDAA O=C(O)[C@H]1C[C@@H](C(=O)NCc2cccnc2)CN(Cc2cccc(O)c2)C1 71738755 WDRPZKSEMVQMSY-SJORKVTESA-N 369.421 1.626 0 50 FDAA CC(C)[C@H](NC1CCOCC1)C(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C 329747152 ZFWPDXVNBWOJHR-NXHRZFHOSA-N 353.507 1.101 0 50 FDAA O=C(NCc1ccncn1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 215173635 KHVFIWUFTPBENQ-UHFFFAOYSA-N 374.466 1.971 0 50 FDAA CC(=O)c1cc(CN2CCn3nc([C@H](O)c4ccnn4C)cc3C2)cs1 219704456 YFXANIJYLLIEFO-SFHVURJKSA-N 371.466 1.978 0 50 FDAA CCc1[nH]c2c(CNC(=O)Cc3c[nH]c(=O)n(C)c3=O)cc(F)cc2c1C 71749241 OJJISEPNZQFNCM-UHFFFAOYSA-N 372.400 1.424 0 50 FDAA CCCN(CCC)S(=O)(=O)N1CCN([C@H](C)c2nnc(C)o2)CC1 331095623 BONHDOCCXODWGN-CYBMUJFWSA-N 359.496 1.423 0 50 FDAA CCCNS(=O)(=O)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 331111769 BWWSQHQYEKSJET-GFCCVEGCSA-N 365.377 1.423 0 50 FDAA COc1cc2c(cc1CN1CCN(CCN3CCOCC3)CC1)CCC2 215150700 SVQNOVDBLRUCPG-UHFFFAOYSA-N 359.514 1.634 0 50 FDAA OC1CCN([C@@H]2CCN(c3nccc(CCC(F)(F)F)n3)C[C@H]2O)CC1 71575770 FZAGNQIJCCEXJD-HUUCEWRRSA-N 374.407 1.368 0 50 FDAA CC(C)(NC(=O)c1cccs1)C(=O)N1CCC[C@@]2(CNC(=O)O2)C1 72146179 LIJXXTXZXHRLCX-MRXNPFEDSA-N 351.428 1.358 0 50 FDAA CN(C)C1=NC2(CCN(Cc3cnc(C4CCCCC4)nc3)CC2)C(=O)N1 215127468 GSJIJYOJPZECTA-UHFFFAOYSA-N 370.501 1.906 0 50 FDAA O=C1OC2(CCN(C(=O)[C@H]3NCCc4[nH]cnc43)CC2)c2ccccc21 72431594 GNBDTXBFABZJOQ-INIZCTEOSA-N 352.394 1.285 0 50 FDAA Cc1nc(CCNC(=O)c2cn(CC[C@@H]3CCCCN3)nn2)sc1C 77454388 YCDKRNDZEHJSPO-AWEZNQCLSA-N 362.503 1.856 0 50 FDAA O=C(O)[C@@H]1CN(C(=O)C2(c3ccccc3Cl)CCOCC2)CCO1 262908583 CGHDPQXXFQKVIQ-AWEZNQCLSA-N 353.802 1.700 0 50 FDAA CS(=O)(=O)N1CCO[C@H](CNc2nccc(CCC(F)(F)F)n2)C1 71663118 ZYBVIEGRTWFTLK-LLVKDONJSA-N 368.381 1.044 0 50 FDAA CN(C)S(=O)(=O)CCC(=O)N1CC[C@H](n2cc3ccccc3n2)C1 371583672 ZXHONFGIPDHDHL-AWEZNQCLSA-N 350.444 1.091 0 50 FDAA Cc1ccc(OC[C@@H](C)NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1C 72441363 MBWVARHZBPUHNP-CVEARBPZSA-N 368.499 1.859 0 50 FDAA CC1=C(C(=O)N(C)Cc2cn3c(n2)CCCC3)[C@@H](C)n2ncnc2N1C 374160724 ITDGJGXTSRADCD-CYBMUJFWSA-N 355.446 1.754 0 50 FDAA COc1cncc([C@@H](NC(=O)c2cnc3cccnn23)[C@H]2C[C@@H](O)C2)c1 219899109 HCCZZVQAOXWRCH-BNLOLNQZSA-N 353.382 1.375 0 50 FDAA Cc1cccc(NC(=O)CN2C(=O)[C@H]3CCCN3C(=O)c3ccccc32)n1 212504388 WCJROEPKAHSXGT-MRXNPFEDSA-N 364.405 1.980 0 50 FDAA Cn1c(C(=O)N2CCC[C@@H]2c2nc3ccc(F)cc3[nH]2)cc(=O)n(C)c1=O 77485797 XWIUACBEEQWXDH-CYBMUJFWSA-N 371.372 1.077 0 50 FDAA Cc1nc(C)c(C(=O)N2CCN3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)o1 376349705 GXPWDOXDHQUOKF-CQSZACIVSA-N 354.366 1.585 0 50 FDAA CCOc1cc(CN2CCN(S(N)(=O)=O)CC2)c(Cl)cc1OC 215857411 FMVPBWAVNBUJHB-UHFFFAOYSA-N 363.867 1.068 0 50 FDAA O=C(COc1ncnc2ccccc12)N1CCCC[C@H]1CN1CCOCC1 221406075 ATPGUURILXGETK-INIZCTEOSA-N 370.453 1.722 0 50 FDAA CN(C)C(=O)COC[C@H]1CN(c2ncc(Cl)cc2F)CC(C)(C)O1 284992582 LLTMQGCKWSKIFP-GFCCVEGCSA-N 359.829 1.963 0 50 FDAA Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)Cn3cc(C(=O)O)nn3)cc2)n1 263371727 YNLFOVTYPVWSBO-ZDUSSCGKSA-N 368.397 1.656 0 50 FDAA Cc1n[nH]c(C)c1CCN(C)c1cc([C@@H]2CCOC2)nc(N2CC(O)C2)n1 426477979 IAQGJDNZVMBTOB-CQSZACIVSA-N 372.473 1.180 0 50 FDAA CS(=O)(=O)CC1(CC(=O)Nc2nnc(-c3ccccn3)s2)CC1 176627719 CEBBIYYFIVKOIC-UHFFFAOYSA-N 352.441 1.754 0 50 FDAA COc1ccccc1N1CC[C@H](N2CCN(CC(F)(F)F)CC2)C1=O 176960481 LIEUHWIXTXLLKQ-AWEZNQCLSA-N 357.376 1.980 0 50 FDAA Cc1ccccc1[C@H]1CCN(CCNC(=O)N2CCS(=O)(=O)CC2)C1 426545192 YWSGTTMDLISIDD-INIZCTEOSA-N 365.499 1.224 0 50 FDAA O=C(CN1CCOc2ccccc2C1)NCc1nc(-c2ccncc2)n[nH]1 223783941 IKAZSVKFKBLBCS-UHFFFAOYSA-N 364.409 1.378 0 50 FDAA C[C@@H]1C(=O)N(c2ccccc2)CCN1C(=O)NCCCN1CCCC1=O 426618054 CGQYGLFICBHCCE-OAHLLOKOSA-N 358.442 1.446 0 50 FDAA O=C(NC1CCC1)c1ccc(-c2cncc(C(=O)N3CCOCC3)n2)cc1 426422889 KRDYFOUZMIZGHI-UHFFFAOYSA-N 366.421 1.898 0 50 FDAA CCN1CC[C@H](CNC(=O)N2CCN(Cc3cccc(OC)c3)C(=O)C2)C1 426590039 UFTVPUOTKQHEKP-QGZVFWFLSA-N 374.485 1.391 0 50 FDAA C[C@H](O)c1cccc(-c2ccc(C(=O)N3CCN(CC(N)=O)CC3)cc2)c1 426581259 OJIJVLACBKKANC-HNNXBMFYSA-N 367.449 1.650 0 50 FDAA NC(=O)[C@@H]1CCCN(CCCNC(=O)Nc2ccc3cccnc3c2)C1 96131480 QSEAKACEUHHVGG-OAHLLOKOSA-N 355.442 1.944 0 50 FDAA CCN(Cc1ccncc1)C(=O)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 91364649 CMVKBAFTBWNEJE-SFHVURJKSA-N 374.485 1.001 0 50 FDAA Cc1noc(C)c1S(=O)(=O)N1CC[C@@]2(CCCN(C(C)C)C2=O)C1 91746990 OGQWKEJCERVLGW-INIZCTEOSA-N 355.460 1.703 0 50 FDAA CCC(=O)N[C@@H]1C[C@@H](C(=O)N(CC)CC)N(C(=O)c2ccc(O)cc2)C1 96151302 WROGQGHMRYYBQA-ZBFHGGJFSA-N 361.442 1.370 0 50 FDAA COc1ccc2[nH]c(C(=O)N3CCC4(CC3)[C@@H](OCCO)C[C@H]4O)cc2c1 91625125 VOINRGFIDJHQRG-MSOLQXFVSA-N 374.437 1.541 0 50 FDAA COCCN1C[C@@H](CNC(=O)N(C)Cc2nc3ccccc3n2C)CC1=O 426422010 QLUXOWDPXNQAPI-CQSZACIVSA-N 373.457 1.210 0 50 FDAA COc1ccccc1C(=O)N1CCN([C@@H](C(=O)O)c2c(C)noc2C)CC1 95385089 IVZKNACECUUNEH-QGZVFWFLSA-N 373.409 1.884 0 50 FDAA CN(C)[C@H]1CCN(C(=O)c2ccc3c(c2)nc(N2CCOCC2)n3C)C1 95365545 UJBACAFJPDJFCU-HNNXBMFYSA-N 357.458 1.186 0 50 FDAA CNc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2cccnc2)C3)ccn1 91907253 KUSOHXRRIKQITM-WMLDXEAASA-N 365.437 1.895 0 50 FDAA CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccncc2)CN1C1CCOCC1 96138956 YKCRLYFWJBZKFP-WMZOPIPTSA-N 374.485 1.302 0 50 FDAA CC(C)c1nc(CCN(C)C(=O)[C@@H]2CC(=O)N(Cc3ccncc3)C2)no1 95503501 XIIFPUHHGVEQJJ-OAHLLOKOSA-N 371.441 1.638 0 50 FDAA O=C(c1ccccc1F)N1C[C@H]2CN(C(=O)C3CCC3)C[C@@]2(C(=O)O)C1 96152809 NIZWNSBYABECAG-BFUOFWGJSA-N 360.385 1.611 0 50 FDAA Cc1cnc(C)c(N2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)n1 95381500 SRAFTKITQSCUKA-HNNXBMFYSA-N 352.446 1.851 0 50 FDAA CN(C)c1cccc(C(=O)N2CCC[C@H](c3nccn3CC(N)=O)C2)c1 95524918 GZWZVJFMPSXVSO-HNNXBMFYSA-N 355.442 1.454 0 50 FDAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1cccc(O)c1)C2 92004731 DTIYQWAGYITDFI-JKSUJKDBSA-N 366.421 1.488 0 50 FDAA COc1ccc(OC)c([C@@H]2CCN(C(=O)C3CCS(=O)(=O)CC3)C2)c1 92097044 IOLQYAGQZBKASU-CQSZACIVSA-N 367.467 1.845 0 50 FDAA CCNc1ncc(C(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)cn1 91770655 CPNIASCWUXMCSD-UHFFFAOYSA-N 360.849 1.915 0 50 FDAA Cn1ccnc(N2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)c1=O 268044427 PNBXVRSEQMWRHG-AWEZNQCLSA-N 352.394 1.925 0 50 FDAA O=C(CCCn1cncn1)N1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 91646019 XRUFNLWYXQHPJD-GOEBONIOSA-N 360.487 1.638 0 50 FDAA CN(C)Cc1nc(C(=O)N[C@H](Cc2ccncc2)[C@H]2C[C@@H](O)C2)cs1 244594327 DLBCLGKQGLXIGO-QLFBSQMISA-N 360.483 1.712 0 50 FDAA COC[C@@H](NC(=O)CCS(=O)(=O)c1ccccc1)c1ccnn1C 244707860 KIVAPGKNBWGIOY-CQSZACIVSA-N 351.428 1.088 0 50 FDAA CN(C)c1nc(CNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cs1 252508628 XQAYZPHOWVFNKI-UHFFFAOYSA-N 368.484 1.535 0 50 FDAA Cc1ccc([C@H](CNC(=O)N2CCNC(=O)C2)N2CCC(C)CC2)cc1 534650499 AWBGDQMBMZCZMG-SFHVURJKSA-N 358.486 1.909 0 50 FDAA CCc1[nH]nc(Cl)c1C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 862789386 NHAAZBVWRHOGFL-VIFPVBQESA-N 360.809 1.072 0 50 FDAA CC(C)[C@H](NC(=O)c1nn(CCCCC(=O)O)c2ccccc12)C(N)=O 96024608 QNEBIXFSJOHXCK-HNNXBMFYSA-N 360.414 1.531 0 50 FDAA biogenic,in-vitro COc1ccc(CN2CC[C@@H]3OCc4cnnn4[C@H]3C2)cc1OCC(=O)O 299774676 IRIVYXCDDAPWCX-GJZGRUSLSA-N 374.397 1.096 0 50 FDAA CCNc1ncc(C(=O)N2CCCC[C@H]2CCN2CCN(C)CC2)cn1 299777808 CQLSSSQTDGOYPW-KRWDZBQOSA-N 360.506 1.541 0 50 FDAA COc1cccc2c1OC[C@@H](NC(=O)c1ccccc1-c1nn[nH]n1)C2 824804719 ITHKGMCLKHFDEV-LBPRGKRZSA-N 351.366 1.609 0 50 FDAA CCn1ccnc1CN(C)C(=O)NCc1csc(N2CCOCC2)n1 584889864 OOABRUZRVLXQIS-UHFFFAOYSA-N 364.475 1.538 0 50 FDAA COCCCN1CC[C@@H](CNC(=O)C2(N3CCOCC3)CCCCC2)C1 824390170 BESOJXPBWQIAKL-SFHVURJKSA-N 367.534 1.496 0 50 FDAA CCN1C[C@H](CNC(=O)c2ccc(-c3cnc4nncn4c3)cc2)CC1=O 584895387 RUNVNBLFNSSDMY-ZDUSSCGKSA-N 364.409 1.390 0 50 FDAA O=C(NCCc1nc(-c2cccnc2)no1)c1ccc(-c2nc[nH]n2)cc1 670454417 WFBMBDKURCHNTM-UHFFFAOYSA-N 361.365 1.889 0 50 FDAA COc1cccc2c1OC[C@@H](NC(=O)CCc1c(C)nc(O)nc1C)C2 670457291 NJXCDXGNQCFCOP-AWEZNQCLSA-N 357.410 1.860 0 50 FDAA COc1cccc(CN(CC2(C)COC2)C(=O)c2ccn3nncc3c2)n1 1875294512 HRIDBSLLGOEUHC-UHFFFAOYSA-N 367.409 1.812 0 50 FDAA CC1(CC(=O)N2CC[C@@H]([C@@H]3CCCN(C(=O)Cn4cncn4)C3)C2)CC1 1875322064 HLGYCJUTNQCNBH-HZPDHXFCSA-N 359.474 1.555 0 50 FDAA COc1cccc(-n2nc(C)c(CCC(=O)NS(C)(=O)=O)c2C)c1 1875390805 NVPUGGKGQMBXPN-UHFFFAOYSA-N 351.428 1.506 0 50 FDAA CS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(C(F)(F)F)nn2C2CC2)C1 1875310993 IRUMIGDSEZQMQL-SECBINFHSA-N 351.350 1.496 0 50 FDAA Nc1cc(C(=O)Nc2c[nH]nc2[C@H]2CCNC2)cc(Br)n1 1875356176 IHZHIFYAYIROGP-ZETCQYMHSA-N 351.208 1.479 0 50 FDAA COC(=O)/C=C/C(=O)N[C@H](Cc1ccccn1)[C@H]1COc2ccccc2O1 1875378810 FFCDVXVSUGFARG-NKUAOLACSA-N 368.389 1.678 0 50 FDAA CC[C@H](SC)C(=O)N[C@@H](C)CN(C)C(=O)CS(=O)(=O)C(C)(C)C 1875302348 MBNMEIJCKBHTKA-RYUDHWBXSA-N 366.549 1.304 0 50 FDAA O=C1C[C@H](C(=O)N2CC(c3cc(CO)on3)C2)CN1Cc1ccccc1 886086432 UUSGUAFJCWAYEM-AWEZNQCLSA-N 355.394 1.141 0 50 FDAA Cc1cc(CNC(=O)[C@H]2CC[C@@H](C(N)=O)N2Cc2ccccc2)ccn1 888095721 XEBDPASQDLLDII-ZWKOTPCHSA-N 352.438 1.525 0 50 FDAA CN(C)[C@@H]1CN(Cc2ccccc2N2CCOCC2)C[C@@H]1n1ccnn1 888094240 GKYCVJWKXZEIJG-MOPGFXCFSA-N 356.474 1.102 0 50 FDAA CN1CCC[C@@H]1c1cc(C(=O)N2CCN(c3ccccc3O)CC2)n[nH]1 895481916 SDLGOPLOMYOSRE-MRXNPFEDSA-N 355.442 1.844 0 50 FDAA CSc1ncc(CNS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)n1C 1565529938 ZSXNTJVVGVIMGW-ZBEGNZNMSA-N 371.528 1.957 0 50 FDAA CC(C)(C)c1ccc(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)O)cc1 275036894 UXUZOJABFLGFDQ-HNNXBMFYSA-N 370.471 1.048 0 50 FDAA CO[C@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)C[C@H]1OC 276923938 RYYGVNSJCPNNLS-ZACQAIPSSA-N 361.442 1.151 0 50 FDAA NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC(Oc3ccccc3Cl)CC2)O1 189348406 XLUYBRNTPMMRBJ-LSDHHAIUSA-N 352.818 1.743 0 50 FDAA O=C(C(=O)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1)c1cccnc1 210144248 JSCJZHRZTAJJLA-CABCVRRESA-N 354.362 1.370 0 50 FDAA Cc1ccc2nc(C)c(C(=O)N3C[C@]4(C(=O)O)C[C@]4(C(=O)O)C3)cc2c1 1704305551 LBASIWSGMTVJCL-KDURUIRLSA-N 354.362 1.853 0 50 FDAA CS(=O)(=O)CCC(=O)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704280496 IPAYJVWMLAXYTB-PBHICJAKSA-N 362.451 1.031 0 50 FDAA CC(C)c1cccc(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1 1704338394 SUWRLVGKWZKUJX-JKSUJKDBSA-N 354.472 1.446 0 50 FDAA Cc1cc(C[C@@H]2CN(C(=O)c3ccccc3N3CCOCC3)C[C@H]2O)n[nH]1 1704350024 JUTRVASJSNOJRH-DNVCBOLYSA-N 370.453 1.230 0 50 FDAA CN(C)S(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 11662316 YMAAWDYTQGKLFZ-ZDUSSCGKSA-N 365.455 1.681 0 50 FDAA COc1ccc(C(=O)N[C@H]2CCCN(C3CCN(C)CC3)C2)cc1OC 11771563 WENJUBXEKKDWCO-INIZCTEOSA-N 361.486 1.992 0 50 FDAA CC(C)c1nccn1CCCNC(=O)c1ccc(N2CC[C@H](O)C2)nc1 12317865 MXMOUGKZZLTYTM-INIZCTEOSA-N 357.458 1.793 0 50 FDAA C[C@H]1C(=O)N2CCN(C(=O)c3cccc4ccccc34)C[C@@H]2C(=O)N1C 14751266 HDUDGTMZORISPY-SUMWQHHRSA-N 351.406 1.353 0 50 FDAA CN(CCO)[C@@H]1CCc2c(c(C(=O)NCc3ccc(F)cc3)nn2C)C1 14751616 QMDZBXTZXUHTKQ-OAHLLOKOSA-N 360.433 1.271 0 50 FDAA Cn1c(=O)c2c(nc3n2C(c2ccccc2F)=NCCCS3)n(C)c1=O 17750836 ORMGRTPFLYYAQY-UHFFFAOYSA-N 373.413 1.364 0 50 FDAA CCN1CCC[C@@H]1CNC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O 169774393 GKAFSDCRZWLIML-CZUORRHYSA-N 358.442 1.118 0 50 FDAA Cc1ccc(C(=O)N[C@H]2C[C@H]3COc4ccccc4S(=O)(=O)N3C2)cn1 1857670666 DKGJKURPNYUSHO-GJZGRUSLSA-N 373.434 1.344 0 50 FDAA CN(C)C(=O)c1ccc(N2CCC(c3nnc4n3CCCCC4)CC2)nn1 1857670786 YZUZQZXPHFTTEO-UHFFFAOYSA-N 369.473 1.880 0 50 FDAA COC(=O)[C@@H](NC(=O)Cn1nc(C)nc1[C@@H](N)C(C)C)c1ccccc1 1857703832 STRGINBUICETQM-HOTGVXAUSA-N 359.430 1.273 0 50 FDAA Cc1nn(-c2ccccc2)c(C)c1CN1C[C@@H]2OCCC(=O)N(C)[C@H]2C1 1857728066 LQTHSTCOELNFCS-OALUTQOASA-N 354.454 1.921 0 50 FDAA O=C(c1c[nH]nc1-c1cccc(F)c1)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1857733919 FWFFJJCYDAVLFP-CXAGYDPISA-N 367.384 1.681 0 50 FDAA N=c1nc(N2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)c2nc[nH]c2[nH]1 1875248993 CMSQCRAFVKKGGB-DOMZBBRYSA-N 361.409 1.353 0 50 FDAA COC(=O)[C@]1(NC(=O)c2cccn2C)CCCN(Cc2ccccc2)C1 119627177 HRCOOODJPAALOG-FQEVSTJZSA-N 355.438 1.963 0 50 FDAA Cc1ccccc1O[C@@H](C)CNC(=O)c1ccnc2c(C(N)=O)cnn12 121271272 QADAYCLDYJACHH-LBPRGKRZSA-N 353.382 1.334 0 50 FDAA O=C(CN1CCC(c2ccccc2)CC1)N1CC[C@@H]2NCCC[C@@]2(CO)C1 247950356 SLZNKJMFAWJOGH-UNMCSNQZSA-N 371.525 1.829 0 50 FDAA CC(C)[C@H](NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1)c1ncc[nH]1 253431318 VGXLNKUKVCVYBQ-AWEZNQCLSA-N 365.459 1.649 0 50 FDAA Cc1nccnc1N1CCN(C(=O)[C@@H]2COCCN2C2CCCC2)CC1 374238756 QKKCZBRVVLMTQM-KRWDZBQOSA-N 359.474 1.077 0 50 FDAA Cn1cc(NC(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)cc1C(N)=O 264183597 AGWKLWFWAQXDNO-QGZVFWFLSA-N 356.426 1.261 0 50 FDAA CC(C)N1CCO[C@H](Cn2cc(-c3ccc4c(c3)C(=O)NCCO4)cn2)C1 904860078 NCCOOBWKVIDZCI-KRWDZBQOSA-N 370.453 1.782 0 50 FDAA Cc1ccc(S(=O)(=O)N2CC[C@@H](O)[C@@](CC3CC3)(C(=O)O)C2)c(C)c1 1704338240 OQECRLWMXFQEDF-AEFFLSMTSA-N 367.467 1.930 0 50 FDAA O=C(N[C@@H]1C[C@H](C(=O)N2CCc3ccc(O)cc3C2)C[C@H]1O)c1cc[nH]c1 2100480261 BQGPSWDFJKJGKV-BMGDILEWSA-N 369.421 1.175 0 50 FDAA CS(=O)(=O)CC[C@@H]1N=C([C@@H]2CCOC2)c2ccc(Cl)cc2NC1=O 2325771658 CVWAHLVAKSKDKK-MFKMUULPSA-N 370.858 1.921 0 50 FDAA CCCc1ccc(C(=O)N[C@@H](C)[C@@H]2CCN(C(=O)c3ccnn3C)C2)[nH]1 2325824472 CCINECHHZPOPEH-UONOGXRCSA-N 357.458 1.981 0 50 FDAA N[C@H]1CCc2nc(C(=O)NCCn3c(O)nc4cc(Cl)ccc43)cn2C1 2325859725 IOKOZESQTHTCIR-NSHDSACASA-N 374.832 1.295 0 50 FDAA CCOC(=O)c1cnc(SCC(=O)N2CCc3ccccc32)nc1N 1058274 YKACCODCGDGSIL-UHFFFAOYSA-N 358.423 1.917 0 50 FDAA Cc1nc(NC2CCN(C3CCS(=O)(=O)CC3)CC2)nc(C)c1C 2356134738 ZVBBKNAKGAXCSZ-UHFFFAOYSA-N 352.504 1.855 0 50 FDAA CCn1cnnc1CCNC(=O)c1ccc2nnc([C@@H](O)C(C)C)n2c1 2356139643 GWNOYGCOPWZTCR-HNNXBMFYSA-N 357.418 1.003 0 50 FDAA COCCn1cncc1CN1CC[C@@H](O)[C@](CCC(C)C)(C(=O)O)C1 2356157138 BPWGBCGOSLWFCG-SJLPKXTDSA-N 353.463 1.603 0 50 FDAA CCn1c(C)cn2c3c(=O)n(Cc4cccc(C)c4)c(=O)n(C)c3nc12 4250933 ZEYRPRSRCDLZDI-UHFFFAOYSA-N 351.410 1.834 0 50 FDAA O=S(=O)(Cc1ccccc1)N1CCC(On2nnc3ccccc32)CC1 6697176 ZZLWECNTSWJORT-UHFFFAOYSA-N 372.450 1.854 0 50 FDAA Cc1nn(C)c(=O)c(C(=O)Nc2nnn(Cc3cccc(F)c3)c2C)c1C 225697024 QCJDXUWHSIRYNJ-UHFFFAOYSA-N 370.388 1.737 0 50 FDAA Cc1noc([C@@H](C)N2CCN(C(=O)NCCN(C)c3ccccc3)CC2)n1 111808780 WUYSXNDVHCPFJL-OAHLLOKOSA-N 372.473 1.903 0 50 FDAA CCS(=O)(=O)N1CCC(C(=O)NCCN(C)c2ccc(C)cc2)CC1 65363234 SLJFSLBOSXHWND-UHFFFAOYSA-N 367.515 1.609 0 50 FDAA Cc1oc(-c2ccsc2)nc1CN(CCO)[C@@H]1CCS(=O)(=O)C1 23159355 MTRLFSLBKZOMIS-CYBMUJFWSA-N 356.469 1.693 0 50 FDAA CC(C)C[C@H](c1nc(C(C)(C)NS(C)(=O)=O)no1)N1CCCCC1=O 330904522 RCKJLMXCAWNJMV-GFCCVEGCSA-N 372.491 1.954 0 50 FDAA CNS(=O)(=O)c1ccc2c(c1)N(C[C@H](O)COCc1ccco1)CC2 126339567 OEKWIWVYPCPCQI-AWEZNQCLSA-N 366.439 1.128 0 50 FDAA O=C(Cn1nc([C@@H]2CCCNC2)n(-c2ccccc2)c1=O)N1CCCCC1 67713049 JMMSRLBRCMVEHF-MRXNPFEDSA-N 369.469 1.514 0 50 FDAA Cc1nc(C)c(CC(=O)N2CCN(c3ccc(Cl)cn3)CC2)c(=O)[nH]1 66342263 VRBDPJLGWRPBSV-UHFFFAOYSA-N 361.833 1.326 0 50 FDAA Cc1cc(C(F)F)nn1CC(=O)N1CCN(C(=O)c2ccco2)CC1 2764054 SNTVPAGCLUXBPF-UHFFFAOYSA-N 352.341 1.707 0 50 FDAA CN1N=C(C(=O)NC[C@H]2CCc3nc(C(F)(F)F)cn3C2)CCC1=O 328623119 IWQVLXIKXMIZDG-SECBINFHSA-N 357.336 1.189 0 50 FDAA O=S1(=O)CCC(CN2CCCC[C@H]2c2nnc3n2CCCC3)CC1 328686424 YFIHPPDFNUTDHW-HNNXBMFYSA-N 352.504 1.966 0 50 FDAA Cn1c(=O)[nH]c(=O)c2c1nc1n(CCCCO)c(-c3ccccc3)cn21 12427841 JOEYVYNGBCYTGH-UHFFFAOYSA-N 353.382 1.116 0 50 FDAA O=C(C[C@H]1C(=O)NCCN1Cc1cccs1)NCCNc1cccnc1 72128190 GNXCUEDQLPQKGE-INIZCTEOSA-N 373.482 1.062 0 50 FDAA CCCC(=O)N1CSC[C@@H]1C(=O)N1CCN2CCOc3cccc1c32 329102780 FTGSFUJSSOOTMU-CQSZACIVSA-N 361.467 1.934 0 50 FDAA Cc1cccc(OCC(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CCN)C2)c1C 72481299 LRBFMPAYRDKMHL-DLBZAZTESA-N 359.470 1.480 0 50 FDAA COc1cc(N2CCC[C@@H](c3cc(N4CCOCC4)nc(C)n3)C2)ncn1 72457675 HJWKWTKAXJNPLE-OAHLLOKOSA-N 370.457 1.804 0 50 FDAA Cc1cc(C)n([C@@H]2CCN(C(=O)c3cc(-n4cnnn4)ccc3O)C2)n1 77386480 XESAMCZCXACZBW-CQSZACIVSA-N 353.386 1.268 0 50 FDAA C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CCOC2(CCOCC2)CC1 364265952 USJWCOMMBFEAIJ-MSOLQXFVSA-N 368.518 1.969 0 50 FDAA Cn1nc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c2c1CCNC2 34927279 PPPALZFZNDWEKD-CQSZACIVSA-N 367.453 1.557 0 50 FDAA COc1ccc(S(=O)(=O)N2CCN(Cc3ccncc3)CC2)cc1F 30323169 NHQZQHKVSNAYQB-UHFFFAOYSA-N 365.430 1.736 0 50 FDAA C[C@@H](Cc1cnccn1)NS(=O)(=O)c1cccc(C(=O)N2CCCC2)c1 215943406 JTZWRAMKUTYQEC-AWEZNQCLSA-N 374.466 1.622 0 50 FDAA Cn1cncc1C(=O)N1CCC(N2CCC[C@H](C(=O)NC3CC3)C2)CC1 71747776 QQLZEPKLGHDBBX-AWEZNQCLSA-N 359.474 1.015 0 50 FDAA CC(=O)N1CCc2c(nc(-c3ccncc3)nc2N[C@H](C)CN(C)C)C1 72128801 IFLRNHBTDGEION-CYBMUJFWSA-N 354.458 1.805 0 50 FDAA CSc1nc(C(=O)N2CCN(c3ccc4nccn4n3)CC2)cs1 216236520 HZTGRTXRNBBIAW-UHFFFAOYSA-N 360.468 1.870 0 50 FDAA CCOC(=O)c1ccc(NC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)cc1 77487813 UMDHEFYYPHJDCG-CQSZACIVSA-N 354.428 1.904 0 50 FDAA Cc1ncsc1CN(C[C@H]1CCNC1)S(=O)(=O)N1CCC(C)CC1 333844318 LYQFSMKTHOVIHE-HNNXBMFYSA-N 372.560 1.840 0 50 FDAA CCc1[nH]c2c(CNC(=O)Cn3cc(C)c(=O)[nH]c3=O)cc(C)cc2c1C 71779798 JBKAKHFCOQDPCW-UHFFFAOYSA-N 368.437 1.822 0 50 FDAA Nc1c(O)nc(O)nc1C(=O)N1CCC[C@H](Cn2cnc3ccccc32)C1 373741741 HZOVZWIMVVHQMU-NSHDSACASA-N 368.397 1.372 0 50 FDAA CNc1ncccc1C(=O)N[C@@H]1COCC[C@@H]1OCc1c(C)noc1C 219284361 YBCRDHUVMIBYOG-CVEARBPZSA-N 360.414 1.832 0 50 FDAA 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O=c1nc([C@H]2CCCCN2Cc2cc(=O)n3cc(Cl)ccc3n2)[nH][nH]1 289283341 GJKFZOBOQVQWAB-GFCCVEGCSA-N 360.805 1.487 0 50 FDAA Cc1cc(C(=O)N2CCN([C@@H]3CCNC3)CC2)nn1-c1ccc(F)cc1 289767053 IIQPUCXYPZETQM-QGZVFWFLSA-N 357.433 1.440 0 50 FDAA C[C@H](Cn1cccn1)NC(=O)N1CCC(C(=O)NCc2ccco2)CC1 426658198 ISFVCHSSGWDOBU-CQSZACIVSA-N 359.430 1.603 0 50 FDAA Cc1cccc2nc(CCNC(=O)N3C[C@H](O)[C@@H](N4CCCC4)C3)[nH]c12 426490598 MPZVNWJQOXVQEX-HOTGVXAUSA-N 357.458 1.264 0 50 FDAA Cc1nc(C2CCN(C(=O)c3ccc4c(c3)ncn4CCO)CC2)n[nH]1 426497244 MZBRVWFBCKELHJ-UHFFFAOYSA-N 354.414 1.475 0 50 FDAA O=C(c1c[nH]c(=O)cn1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 95355890 LRRUCQQSQQBRRC-KFKAGJAMSA-N 350.422 1.472 0 50 FDAA C[C@@H](C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1)n1nnc2ccccc2c1=O 238881553 ATCDLPFBFFTSRV-AVGNSLFASA-N 358.398 1.360 0 50 FDAA NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1coc(CN2CCOCC2)c1 95368147 VVRYFOMVIOQGAG-SFHVURJKSA-N 369.421 1.164 0 50 FDAA CCc1n[nH]c(C(=O)N2C[C@@H]3c4ccccc4OC[C@]3(C(=O)O)C2)c1C 95517436 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CS(=O)(=O)NCCC(=O)N[C@@H]1CCCc2nc(-c3ccccc3)ncc21 91452436 LBWVVECZXGRWOQ-OAHLLOKOSA-N 374.466 1.577 0 50 FDAA CC[C@@H](O)Cn1nc(-c2ccc(C(N)=O)cc2)nc1Cc1c(C)n[nH]c1C 96131743 HESAYVAHEJTRPV-OAHLLOKOSA-N 368.441 1.746 0 50 FDAA CN(C)c1nccnc1N1CCC[C@@H](c2nnc(Cn3ccnc3)n2C)C1 91943391 HIXAGWMLFVRJAA-CQSZACIVSA-N 367.461 1.300 0 50 FDAA COc1ccc(-c2cc(C(=O)N3CCc4nnc(C)n4CC3)[nH]n2)cc1 91574105 VWLDHDRERMFZEW-UHFFFAOYSA-N 352.398 1.684 0 50 FDAA COc1ccc(CN2CCC3(CC2)[C@@H](C(=O)O)CC(=O)N3C)cc1F 95365295 UGGUKVDJMNNFJA-CYBMUJFWSA-N 350.390 1.732 0 50 FDAA COc1ccc(C(=O)N2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)cc1C 95370431 SLMRJRUCHFUFSA-AWEZNQCLSA-N 360.410 1.541 0 50 FDAA CCS(=O)(=O)Nc1ccc(-c2nc(CCSC)nn2CCO)cc1 96148426 HYUNWNHDSBTSRV-UHFFFAOYSA-N 370.500 1.605 0 50 FDAA CC(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1cc(-c2cccn2C)n[nH]1 91708229 UDXFSAOIEBINPO-VQIMIIECSA-N 363.421 1.947 0 50 FDAA C[C@H]1CN(CCC(=O)NCc2ccccc2CN2CCCC2=O)C[C@@H](C)O1 243932740 BYXJUBVFRHLWSL-CALCHBBNSA-N 373.497 1.925 0 50 FDAA CNc1ncc(C(=O)N[C@H](c2ccc(OC)c(F)c2)[C@H]2C[C@@H](O)C2)cn1 252537555 LODWMDWHEZTRAZ-PVXIVEMSSA-N 360.389 1.908 0 50 FDAA CN(C)CCN(CC(=O)O)C(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O 299753371 YAEUJLNSDJQAPJ-AWEZNQCLSA-N 367.833 1.168 0 50 FDAA CC(C)(C)OC(=O)N1CC[C@@]2(O)CCN(C(=O)N3CCCC3)C[C@H]2C1 253495999 YPEALWMTPYGBPD-KSSFIOAISA-N 353.463 1.896 0 50 FDAA O=C(N=c1[nH]oc2ccc(F)cc12)[C@@H]1CC(=O)N(Cc2ccccn2)C1 1940195544 WRJCOXQHFSZDBK-LLVKDONJSA-N 354.341 1.771 0 50 FDAA O=C(Cc1ccccc1O)N1CCn2nc(C(=O)N3CCCC3)cc2C1 65373888 IIIOEZWXCQQJKD-UHFFFAOYSA-N 354.410 1.410 0 50 FDAA O=C(c1ccccc1-n1cnnc1)N1CCCO[C@@H](CN2CCCCC2)C1 299765537 OBJROLWOEHDTJW-KRWDZBQOSA-N 369.469 1.984 0 50 FDAA Cn1cc([C@@H]2CN(C(=O)CCOc3ccccc3)C[C@@H]2CC(=O)O)nn1 299788515 QFVSNCMPZHXARO-DZGCQCFKSA-N 358.398 1.301 0 50 FDAA CN(C(=O)c1cn2c3c(cccc3c1=O)CC2)C1CCS(=O)(=O)CC1 299784829 HVWDQTHVUCCAFD-UHFFFAOYSA-N 360.435 1.207 0 50 FDAA COc1cccc(-c2cc(CNC(=O)N3CC[C@H](NC(C)=O)C3)on2)c1 584889089 CLZJKAQEWMAPAN-AWEZNQCLSA-N 358.398 1.770 0 50 FDAA CCOC(=O)[C@H]1c2ccoc2CCN1C(=O)CCc1n[nH]c(=N)s1 1875345744 HTUNEYDWPXPROO-CYBMUJFWSA-N 350.400 1.165 0 50 FDAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)NCCc1cn2cccnc2n1 1875314672 LONIZJZXPONTOH-NEPJUHHUSA-N 354.414 1.458 0 50 FDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@H]3COC4(CCC4)C3)C2)c1C 1875397470 BCMCBTWJPWTPFJ-HZPDHXFCSA-N 373.501 1.675 0 50 FDAA CN(C(=O)c1nnn2c1C(=O)NCC2)C1c2ccccc2-c2ccccc21 1875339227 XJIHTZCEYWATPW-UHFFFAOYSA-N 359.389 1.864 0 50 FDAA NC(=O)[C@@H]1CN(C(=O)NCC2(c3cccc(Cl)c3)CCC2)CCO1 876141546 AINSDZZMJGQAIF-AWEZNQCLSA-N 351.834 1.657 0 50 FDAA O=C(c1ccccc1)N1CCC[C@@H](NS(=O)(=O)N2CCCCC2)C1 1115943851 WJKZPWHURJRCID-MRXNPFEDSA-N 351.472 1.612 0 50 FDAA COc1ccc2c(c1)CCC[C@H]2N[C@H]1CN(c2cc[nH]c(=N)n2)C[C@H]1OC 1875400261 VICHQRWHOQVLLR-FGTMMUONSA-N 369.469 1.769 0 50 FDAA CN1C[C@@H](NC(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)CC12CCC2 1875295018 BHLIWCQSQNAFRG-HOTGVXAUSA-N 356.470 1.997 0 50 FDAA COCc1cc(CNC(=O)CN2CCCC[C@@H](OC)C2=O)ccc1F 886075313 INADIDWNGFLKOG-MRXNPFEDSA-N 352.406 1.616 0 50 FDAA CCN1CCO[C@@H](CNC(=O)c2cc(C)nc(O)c2)[C@@H]1c1nccn1C 886027274 RJYZZDZLCAXHCY-GOEBONIOSA-N 359.430 1.021 0 50 FDAA Cn1nccc1CN1CCC[C@]2(CC(=O)NN2C(=O)c2cccc(F)c2)C1 888103602 PEJAJUDYCPILII-IBGZPJMESA-N 371.416 1.471 0 50 FDAA O=C(O)c1ccc(S(=O)(=O)N[C@H]2CCOC[C@@H]2OCC2CCC2)cc1 1565528428 KJHGRTUVTIUWAP-HOTGVXAUSA-N 369.439 1.637 0 50 FDAA O=C(O)c1cc(N2CC[C@H](N3CCC(O)CC3)[C@@H](O)C2)nc2ccccc12 1565517206 NYYCXWKMHUCFLX-ROUUACIJSA-N 371.437 1.329 0 50 FDAA CCC[C@@]1(CO)CCCN1C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 278239628 WCOGIKISRGKZOJ-SFHVURJKSA-N 366.483 1.895 0 50 FDAA O=C(NCc1nnc(C2CC2)n1C1CC1)[C@@H]1COCCN1C1CCCC1 189922357 DIXCFFQESKSDFD-INIZCTEOSA-N 359.474 1.750 0 50 FDAA Cc1ccc(S(N)(=O)=O)cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C 1073293655 ZZOWWYDHVUUWIU-OLZOCXBDSA-N 352.460 1.343 0 50 FDAA CC(=O)N1CC(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)C1 191936871 BGZRXUORWVLGIV-GJZGRUSLSA-N 356.344 1.818 0 50 FDAA Cc1cc(C)n(C)c(=O)c1C(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1 1529171809 CKDKJQLFIMNCNY-SJLPKXTDSA-N 356.422 1.577 0 50 FDAA Cc1nc(O)cc(CN2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)n1 1704313339 LOHLJBDADIYGSU-LJQANCHMSA-N 354.458 1.827 0 50 FDAA Cc1sc2ncnc(N[C@H]3COC[C@H]3CS(=O)(=O)N(C)C)c2c1C 1704312382 QMFDLIGLBYMOKG-RYUDHWBXSA-N 370.500 1.626 0 50 FDAA COC(=O)[C@@]1(C)N[C@@H](c2cc(Cl)ccc2Cl)[C@H]2C(=O)N(C)C(=O)[C@H]21 210114647 GJLRCPNVXJKTSO-YWDSYVAPSA-N 371.220 1.800 0 50 FDAA O=C1CCC(C(=O)N2CC[C@]3(CCCN(CCc4ccccc4)C3)C2)=NN1 12476297 FWZCEUFQYCQNII-NRFANRHFSA-N 368.481 1.810 0 50 FDAA CCOc1cccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 13672550 MWCKXUFHHDOQLU-UHFFFAOYSA-N 360.391 1.869 0 50 FDAA CCN(CC)CCNc1nc2c(c(O)nc(=O)n2C)n1Cc1ccccc1 19898970 VYKBFPXFUMQEBD-UHFFFAOYSA-N 370.457 1.638 0 50 FDAA COc1ccc(CNC(=O)Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 169760071 SNRUTOQZORNRMG-UHFFFAOYSA-N 366.421 1.700 0 50 FDAA COC(=O)C[C@@H](c1cnn(C(C)C)c1)c1c(O)n2ccccc2nc1=O 205975716 IVSJMYOZUUELFZ-ZDUSSCGKSA-N 356.382 1.873 0 50 FDAA CC(=O)N1CC2(CCN(C(=O)c3ccncc3Cl)CC2)[C@@H]2COC[C@@H]21 1857530900 RPKVFVHBSJGHJH-ZBFHGGJFSA-N 363.845 1.835 0 50 FDAA O=C(CCn1cnnc1)N1CCC[C@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857712196 SULYRADCAYPRGX-IBGZPJMESA-N 368.441 1.548 0 50 FDAA CN(C)S(=O)(=O)N1CCC(C2CCN(Cc3nccn3C)CC2)CC1 1857722905 OWZUWYCZTKTFJX-UHFFFAOYSA-N 369.535 1.151 0 50 FDAA COC(=O)c1cc(C)nc(N2C[C@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)n1 1857723311 ZLDOXZWAVWXUQS-XNWPKKHHSA-N 369.421 1.145 0 50 FDAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)c4ccc5c(c4)CCO5)[C@@H]2CC(=O)N13 1857729900 VWQVPBNBPHLQFA-VPWXQRGCSA-N 356.422 1.819 0 50 FDAA CN1C[C@H]2COC[C@@H]1CN(S(=O)(=O)c1ccccc1C(F)(F)F)C2 1875241350 VDRKPNOQXLJCHV-NEPJUHHUSA-N 364.389 1.657 0 50 FDAA COc1cccc(C(=O)N2CCN(C(=O)c3n[nH]c(C)c3C)CC2)c1OC 330813357 PRDKSBUVBGHMMN-UHFFFAOYSA-N 372.425 1.642 0 50 FDAA CS(=O)(=O)C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC2 332586029 KYYWCZIPBBJUHN-OAHLLOKOSA-N 357.497 1.763 0 50 FDAA CC(C)S(=O)(=O)N1C[C@@H]2OC(=O)N(CCc3ccc(F)cc3)[C@@H]2C1 249688094 HWPDZVLRWYMDFG-CABCVRRESA-N 356.419 1.611 0 50 FDAA CCC1(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)CCC(O)CC1 253417839 HCTWKZCDXABSKT-UHFFFAOYSA-N 368.499 1.884 0 50 FDAA CN(C)c1ccc(S(=O)(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)cn1 263490967 OTHQCNRXUWFGGS-XBFCOCLRSA-N 353.444 1.554 0 50 FDAA COc1cc(C(=O)NN2C(=O)OC(C)(C)[C@@]2(C)O)cc(OC)c1OC 6668678 CMLAXVVCMNPYAD-MRXNPFEDSA-N 354.359 1.297 0 50 FDAA CN1C[C@H]2C[C@@H](N(C)C(=O)Cn3c(=O)oc4ccccc43)C[C@H]2CC1=O 2100537814 XHUNOBNECGJSIO-MJBXVCDLSA-N 357.410 1.310 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)N2CCOc3ccccc3[C@@H]2C(=O)OC)C1 2325888316 HRAPXTXXLCTLCG-KBXCAEBGSA-N 372.421 1.546 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 2325888729 VBDSYTQPMGAHGO-HNNXBMFYSA-N 371.437 1.522 0 50 FDAA NS(=O)(=O)c1ccc(N2CCN(c3cc(C(F)F)ncn3)CC2)cc1 891826240 NNMHHYAUKLBJRY-UHFFFAOYSA-N 369.397 1.388 0 50 FDAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 794620 VGHQPCFZJGPBEK-HOTGVXAUSA-N 360.410 1.989 0 50 FDAA CC1(C)CC(=O)[C@H]([C@]2(O)C(=O)Nc3ccc(Br)cc32)CO1 849606 VKDTYZYFTAYPCQ-BMIGLBTASA-N 354.200 1.973 0 50 FDAA biogenic CC1(C)CC(=O)[C@@H]([C@@]2(O)C(=O)Nc3ccc(Br)cc32)CO1 849607 VKDTYZYFTAYPCQ-ZUZCIYMTSA-N 354.200 1.973 0 50 FDAA biogenic O=C(NCc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2ccc(O)cc2)C1 2868813 OOOSLSINUGCMHK-ZDUSSCGKSA-N 354.362 1.790 0 50 FDAA CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C(N)=O 4761112 STWYAZLQBVUYRF-WOPDTQHZSA-N 361.508 1.649 0 50 FDAA CC(=O)Oc1ccccc1-c1nc2s/c(=C/c3ccco3)c(=O)n2n1 4844287 LWXISUIBGGSKFX-NTEUORMPSA-N 353.359 1.884 0 50 FDAA Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 6742314 VHDUUDZPMZOFHW-HNNXBMFYSA-N 352.456 1.315 0 50 FDAA Cc1csc(=O)n1CCc1nc(CCn2nnc3ccccc32)no1 225606165 AGXJQKRNCVMKME-UHFFFAOYSA-N 356.411 1.831 0 50 FDAA CC(C)N1CCN(C[C@@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)CC1 20454681 IJDZMGNSGDEPOC-FQEVSTJZSA-N 363.477 1.705 0 50 FDAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)Nc1sccc1C(N)=O 247807599 ARFRAPPFKPWCLY-RTXFEEFZSA-N 365.455 1.592 0 50 FDAA COc1ccc(OC[C@@H](C)NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 65363963 PNZKBFQXJOCEND-CYBMUJFWSA-N 370.471 1.250 0 50 FDAA NC(=O)c1ccc(N2CCN(Cc3cnc(-c4ccco4)nc3)CC2)nc1 65380336 QOHADZACGJAHMF-UHFFFAOYSA-N 364.409 1.553 0 50 FDAA COC(=O)C[C@@H](Cc1ccccc1)NS(=O)(=O)N1CCC[C@@H](C)C1 229410155 KJBBSIZXQKJDHZ-GDBMZVCRSA-N 354.472 1.727 0 50 FDAA Cn1ncc(N2CC[C@H](CNC(=O)c3nc4ccccc4s3)C2)cc1=O 23145527 UYXYNVOXBAUXSK-GFCCVEGCSA-N 369.450 1.646 0 50 FDAA CCS(=O)(=O)NCCN(Cc1ccsc1)[C@@H]1CC12CCNCC2 328602319 BCDLNTFJYDUCQK-OAHLLOKOSA-N 357.545 1.632 0 50 FDAA Cn1ccnc(N2CCC[C@H](NCc3ccc([S@@](C)=O)cc3)C2)c1=O 328643558 RKJUBEWLHSRXKB-ODCWNRFASA-N 360.483 1.276 0 50 FDAA CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H]2CCC[C@H]2CN)c1 173334509 OFLLOTORDFAVRF-CABZTGNLSA-N 366.892 1.149 0 50 FDAA CS(=O)(=O)N1CCC(C(=O)NCc2nc(-c3cccs3)no2)CC1 36133333 ICCITVAIUSYAHK-UHFFFAOYSA-N 370.456 1.086 0 50 FDAA CC(C)n1c(CN2CCN(CCS(C)(=O)=O)CC2)nc2ccccc21 215917609 CLOVMJAJCHDNJB-UHFFFAOYSA-N 364.515 1.779 0 50 FDAA CCC(CC)N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCCN(C)CC2)[C@H]3C1=O 77540840 QNIISZIIRGJVBZ-CLWJZODNSA-N 361.486 1.121 0 50 FDAA O=C(C1CCC1)N1CCN(Cc2cccc(O)c2)[C@H]2CS(=O)(=O)C[C@H]21 72409461 RBMUYAWEZDMOAG-DLBZAZTESA-N 364.467 1.002 0 50 FDAA O=C1CC[C@H](NC(=O)c2ccnn2-c2ccccc2)[C@@H]([C@H]2CCCO2)N1 365991081 IATKOWBCMWIYKT-LESCRADOSA-N 354.410 1.428 0 50 FDAA Nc1nc2c(c(NC3CCN(C(=O)c4ccco4)CC3)n1)CCNCC2 72438447 FHWIKUMBJNPESY-UHFFFAOYSA-N 356.430 1.057 0 50 FDAA Cc1ccc(CN2CCN(C(=O)c3cnc(C4CC4)[nH]c3=O)CC2=O)cc1 72478701 MTULBVBRNSAPGN-UHFFFAOYSA-N 366.421 1.440 0 50 FDAA COc1cc2nc(N3CCn4c(nnc4C(C)C)C3)nc(N)c2cc1OC 369183361 JQOVPMDRFHSYLH-UHFFFAOYSA-N 369.429 1.964 0 50 FDAA COCCN1C[C@]2(CCCN(Cc3cc(=O)c(OC)co3)C2)CCC1=O 77471731 GHJDIRKHKHNYQP-LJQANCHMSA-N 364.442 1.499 0 50 FDAA CN(C)c1nccnc1N1CCC[C@H](c2nnc(CN3CCCC3)n2C)C1 72424510 YFCCKLFLNNPZMB-HNNXBMFYSA-N 370.505 1.651 0 50 FDAA Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)n(C)n1 215765516 SXRXQHWRIGXCCW-IEBWSBKVSA-N 365.437 1.826 0 50 FDAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(N2CCOCC2)nc1 240454665 FXYLEFGETOMTRP-UAGQMJEPSA-N 373.453 1.865 0 50 FDAA CS(=O)(=O)C[C@H]1CCCCN1C(=O)Nc1cccc(-n2ccnn2)c1 454983700 AWKFIHUCYVGBGT-OAHLLOKOSA-N 363.443 1.698 0 50 FDAA COc1ccccc1CC(=O)N1C[C@@H](C(=O)O)C[C@@H](C(=O)NC2CC2)C1 72157731 HQLXNLMXGYXSJA-KGLIPLIRSA-N 360.410 1.066 0 50 FDAA O=C(C[C@H]1COCCN1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 72424865 JHTQDELRWKRAHW-HNNXBMFYSA-N 372.387 1.894 0 50 FDAA Cc1nc(-c2ccc(CNC(=O)CCc3cc4n(n3)CCNC4)cc2)no1 72436611 IAVLPKGZVNKWKQ-UHFFFAOYSA-N 366.425 1.594 0 50 FDAA OCCc1cn(C[C@@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)nn1 48170820 BRHYRTNHFBVJBW-MRXNPFEDSA-N 358.442 1.496 0 50 FDAA Cc1cc(NC(=O)CN(C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)no1 286632124 DITKSWLNYCBDLE-KBXCAEBGSA-N 360.462 1.670 0 50 FDAA CC[C@H](NS(=O)(=O)c1cc(-n2cccn2)ccc1OC)[C@H]1C[C@H](O)C1 220456625 GOCCZKVDZDBBEX-CFVMTHIKSA-N 365.455 1.709 0 50 FDAA COc1ccnc(-c2ccc(C(=O)N3CC[C@@]4(CN(C)C(=O)O4)C3)cc2)n1 426494430 NCWJSJMDXDZIIC-LJQANCHMSA-N 368.393 1.819 0 50 FDAA O=C(NCc1cc2n(n1)CCCNC2)c1cc(-c2ccccc2O)n[nH]1 82137521 VCJWWEWXYXZUJG-UHFFFAOYSA-N 352.398 1.402 0 50 FDAA CN(C)c1cc2c(cc1NC(=O)NCC1(CO)CCC1)n(C)c(=O)n2C 426594784 FIOUJFOOGFELGW-UHFFFAOYSA-N 361.446 1.227 0 50 FDAA COC(=O)c1cc(OCC2CCC2)cc(C(=O)N[C@@H]2CNCC[C@H]2O)c1 92022223 KJOYXXIHQJUPLN-IAGOWNOFSA-N 362.426 1.105 0 50 FDAA COC[C@@H]1CCCN1C(=O)Cn1ccc2c(OC)c(OC)ccc2c1=O 95509255 CTKXHQDTCDZMQA-ZDUSSCGKSA-N 360.410 1.656 0 50 FDAA COc1ccc(CCN2C[C@@H](C(=O)NCc3ccncn3)CCC2=O)cc1 92066865 HZECTFPQONMWOF-INIZCTEOSA-N 368.437 1.583 0 50 FDAA CS(=O)(=O)c1ccc(-c2ccc(C(=O)NC[C@@H]3CNCCO3)cc2)cc1 426420866 YUEGOIMIOQNEHJ-KRWDZBQOSA-N 374.462 1.475 0 50 FDAA COc1ccc(CN2CCC(c3nc[nH]n3)CC2)cc1Cn1cncn1 97660278 BBVDZWKFTAVBGE-UHFFFAOYSA-N 353.430 1.833 0 50 FDAA O=C(N[C@@H](CO)c1ccc(F)cc1)C1CCN(C2CCOCC2)CC1 97784765 XIPWLQQGORCPMV-SFHVURJKSA-N 350.434 1.866 0 50 FDAA Cn1c(Cn2cccn2)nnc1[C@@H]1CCCN(C(=O)c2ccccc2O)C1 95389034 DCZCYEMMRQWFNP-CQSZACIVSA-N 366.425 1.785 0 50 FDAA Cn1ccnc1CN1CCN(C(=O)Nc2ccc(-n3cncn3)cc2)CC1 95496516 UBSLIDHPGDWRBW-UHFFFAOYSA-N 366.429 1.351 0 50 FDAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2ccc(C)cc2O)C1 244811429 SCMBHDIPCKYFOW-BETUJISGSA-N 360.414 1.107 0 50 FDAA CC(C)c1cc(CN2CCCN(S(=O)(=O)N3CCCC3)CC2)on1 244690857 IYGNPRSWJQHUBL-UHFFFAOYSA-N 356.492 1.646 0 50 FDAA COc1ccc(-c2cnc(CCC(=O)N3CCO[C@H](C(=O)O)C3)o2)cc1 299748956 IQOYVMZXRVDBOU-HNNXBMFYSA-N 360.366 1.595 0 50 FDAA CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)[C@H]1C[C@@H]1C(=O)O 299752939 WBRFXKMOSICEQQ-KBPBESRZSA-N 355.412 1.038 0 50 FDAA COc1ccc(CN2C(=O)[C@@H](CC(=O)NCCc3ccco3)N=C2O)cc1 252527447 CPBIQVNCUBMRFJ-MRXNPFEDSA-N 371.393 1.662 0 50 FDAA CCCCN(C)C(=O)CN1C(=O)N[C@H](c2ccccc2)C2=C1COC2=O 263617378 NLDLDBCMMMRFOS-QGZVFWFLSA-N 357.410 1.822 0 50 FDAA Cc1cc(-c2cccc(C(=O)NCCNS(C)(=O)=O)c2)c(O)nc1C 534577690 HOURPPUXNKTADE-UHFFFAOYSA-N 363.439 1.350 0 50 FDAA CNc1nccnc1-c1ccc(C(=O)N2CC[C@]3(CN(C)C(=O)O3)C2)cc1 534578705 UHVCEFJZOVRZSY-IBGZPJMESA-N 367.409 1.852 0 50 FDAA O=C(Cc1cc(=O)[nH][nH]c1=O)NCC[C@@H]1CCCCN1Cc1ccccc1 299802257 ZOTRBWOHIMGTSP-KRWDZBQOSA-N 370.453 1.167 0 50 FDAA Cc1cc(CN2CCn3nc(CNS(C)(=O)=O)cc3C2)ccc1F 299799782 SIIGGXDHIFCFEI-UHFFFAOYSA-N 352.435 1.396 0 50 FDAA CN1CCC[C@H](NC(=O)N(CCCn2ccnc2)Cc2ccncc2)C1 823770594 HBWCPVLLZMFNAT-SFHVURJKSA-N 356.474 1.974 0 50 FDAA COc1ncnc(C)c1-c1cccc(C(=O)N[C@H](C)Cn2cncn2)c1 584898420 XOALBLMTJIKCMG-GFCCVEGCSA-N 352.398 1.871 0 50 FDAA CCCc1[nH]ccc1C(=O)N1CC(N2C[C@H](c3nc(C)no3)CC2=O)C1 864683479 DHWPJWLZDFCIJG-GFCCVEGCSA-N 357.414 1.499 0 50 FDAA Cc1ccc(C)c(C(=O)N2CC(N3C[C@H](c4nc(C)no4)CC3=O)C2)c1 864677537 MPONQTUQRQLPCH-CQSZACIVSA-N 354.410 1.835 0 50 FDAA NC[C@@]1(Cn2cc(CNC(=O)c3ccc(Cl)nc3)nn2)CC12CCC2 1875369733 DHHMGKLXMJTJBN-QGZVFWFLSA-N 360.849 1.776 0 50 FDAA O=C1CC[C@H](CCC(=O)N2CCc3c(O)nnc(C(F)(F)F)c3C2)N1 1875341644 APGUTVDLAIANKO-MRVPVSSYSA-N 358.320 1.145 0 50 FDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3ccnn3C(C)C)C2)n1 1875397341 WROWKVWLPFQKHX-OAHLLOKOSA-N 371.489 1.599 0 50 FDAA Cc1cc(=NC(=O)c2nnn(Cc3ccccc3)c2Cl)[nH]n1CCO 1875318457 QPDIOIWDZJBJAV-UHFFFAOYSA-N 360.805 1.151 0 50 FDAA CO[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1NCc1cc2cccnc2o1 1875397677 KBPASCYNJUCPOY-JKSUJKDBSA-N 368.441 1.677 0 50 FDAA COCc1nc([C@H]2CN(C(=O)c3n[nH]c4c3CCC4)C[C@@H]2C2CC2)n[nH]1 952849148 ZAUIKUDDDYTKOL-OLZOCXBDSA-N 356.430 1.429 0 50 FDAA CSC[C@@H](O)CN1CC2(C1)CN(C(=O)c1cccc(F)c1)CCO2 952894678 PCANBKKDOFRMIE-HNNXBMFYSA-N 354.447 1.076 0 50 FDAA CC(C)C(=O)N1CC(F)(CNC(=O)N2CC[C@@H](c3nccs3)C2)C1 1875404271 CBTQIZIDQWWWOT-GFCCVEGCSA-N 354.451 1.849 0 50 FDAA CC1(C)CN(c2cc(O)ncn2)C[C@@H]1NC(=O)C1CC(n2ccnc2)C1 1875408396 VHFFCWSJUZYEID-RUXDESIVSA-N 356.430 1.361 0 50 FDAA Cc1cc(N2CCN(C(=O)[C@@H]3C=CCN3)CC2)nc(-c2ccccc2O)n1 952963962 LTDYDRBGEQDXJG-INIZCTEOSA-N 365.437 1.334 0 50 FDAA COc1ccc(S(=O)(=O)N2CCN(C)C(=O)[C@@H]2C(C)C)cc1Cl 952990043 FESAOZZQBKRVHD-AWEZNQCLSA-N 360.863 1.836 0 50 FDAA O=C(Cc1cccnc1)N[C@H]1CCOC[C@@H]1Oc1ccc(C(=O)O)cc1 1565514468 DOGGOEMXGBPLHE-IRXDYDNUSA-N 356.378 1.675 0 50 FDAA C[C@@H](NC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)C1=CCN(C)CC1 273071613 ZQBWWJURLFLSET-OAHLLOKOSA-N 374.460 1.944 0 50 FDAA CC(C)Oc1cccc(CC(=O)N2CCO[C@@H](CN(C)CC(=O)O)C2)c1 275693820 MZNKNUOYEZFEHB-KRWDZBQOSA-N 364.442 1.260 0 50 FDAA Cc1nn2cccnc2c1C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 109128455 ZYZSKLKQCBXLSC-UHFFFAOYSA-N 365.349 1.180 0 50 FDAA Cc1oc2ncn(C)c(=O)c2c1C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 171317281 ASTMPHAPKBDGLV-JTQLQIEISA-N 372.347 1.449 0 50 FDAA CCn1cncc1CNC(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1529171919 ARQXZPPSMZGEGR-MSOLQXFVSA-N 369.425 1.045 0 50 FDAA COc1ccc([C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2NC(C)=O)cc1 216614794 IWNSCTFZFCMYNO-MOPGFXCFSA-N 374.462 1.988 0 50 FDAA O=C(CCc1n[nH]c2c1CCCC2)N1CC[C@@]2(C(=O)O)CCCN[C@@H]2C1 1704327422 CYLKILCTGVNGAZ-APWZRJJASA-N 360.458 1.276 0 50 FDAA COc1ccc2c(c1)CCOC21CCN(c2cc3nncn3c(N)n2)CC1 1704331054 NHUPDGGTJHDZED-UHFFFAOYSA-N 366.425 1.784 0 50 FDAA Cc1cnc(CNC(=O)[C@@H]2CCc3sc(N4CCOCC4)nc3C2)cn1 1772806708 JAOMUPANDKMBBH-CYBMUJFWSA-N 373.482 1.499 0 50 FDAA O=C(CCn1cccn1)N1CCCN(c2ncnc3ccccc23)CC1 1772814935 AOAGKMYZYSNPIX-UHFFFAOYSA-N 350.426 1.955 0 50 FDAA Cc1nc[nH]c1CC(=O)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857714112 ROMVDORLQRTUFH-LJQANCHMSA-N 354.410 1.537 0 50 FDAA COc1cc(C)ccc1OCCN1C[C@@H]2[C@H](CNC(C)=O)[C@H]3CC[C@]2(C1)O3 1857717486 VKMUNYMQBYQVKC-XKGFGPFHSA-N 374.481 1.998 0 50 FDAA N=c1nc(N2CCC3(CC2)C[C@H](O)C[C@H](c2ccccc2)O3)cc(N)[nH]1 1857731388 GCDGZZHISBQHBZ-HUUCEWRRSA-N 355.442 1.723 0 50 FDAA Cc1cc(C(=O)N2CC[C@@]34O[C@@H](c5ccccc5)CN3C(=O)C[C@@H]24)on1 1857732663 ZVHKBFVTYVNQMI-MDZRGWNJSA-N 353.378 1.898 0 50 FDAA CSCC(=O)NC[C@H]1[C@H]2CN(C(=O)Cc3ccccc3)C[C@]23CC[C@H]1O3 1857739686 OJQLLTRLZZSXQW-TVKQPGBESA-N 374.506 1.714 0 50 FDAA N[C@@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 132568391 JJNKFGOHHATYSW-SNVBAGLBSA-N 353.195 1.947 0 50 FDAA CN(C)C[C@@H]1OCCN(C(=O)CN(C)C2CCCC2)[C@H]1c1cnn(C)c1 1875240643 FRAGKPRIKPLCSG-HKUYNNGSSA-N 363.506 1.125 0 50 FDAA Cc1ccccc1NC(=O)c1sc2ncn(CC(N)=O)c(=O)c2c1C 936993 LAPFTCKULCQVGY-UHFFFAOYSA-N 356.407 1.812 0 50 FDAA Cc1occc1C(=O)N1CC[C@@H](N(C)Cc2cc(O)nc(N(C)C)n2)C1 328621404 AKEUADXLCQDBCG-CQSZACIVSA-N 359.430 1.496 0 50 FDAA CC(C)[C@H](C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O)c1cccnc1 330417467 XQIBHEOLTNYMIN-BMFZPTHFSA-N 353.488 1.655 0 50 FDAA CNCCC1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 253393981 XOMMYNAILXWFIB-UHFFFAOYSA-N 358.460 1.693 0 50 FDAA O=C(CN1CCC[C@H]1C(=O)O)NCCOc1ccc(C(F)(F)F)cc1 262612340 CAXGIUQDMKEANI-ZDUSSCGKSA-N 360.332 1.749 0 50 FDAA CC(=O)N1CCc2cc(C(=O)N3CCSC[C@@H]3S(C)(=O)=O)ccc21 266089188 NBZQBUPSHQMNBG-HNNXBMFYSA-N 368.480 1.155 0 50 FDAA CCOC(=O)C1=C(C)NC(=O)[C@@]1(NC(=O)c1cccnc1)C(F)(F)F 100188110 WZOGUVJUDUSFQQ-CQSZACIVSA-N 357.288 1.079 0 50 FDAA C[C@H](CC1CCC1)C(=O)N1CC[C@@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)[C@H](F)C1 2325862738 GKMXFUXUHINLKJ-OOSGDVBISA-N 352.450 1.760 0 50 FDAA NC(=O)CCNC(=O)Nc1cccc(NC(=O)c2nc[nH]c3nccc2-3)c1 2325865153 PHOCFEDEHBBQJC-UHFFFAOYSA-N 367.369 1.159 0 50 FDAA Cc1cnnc(-c2ccc(C(=O)N3CCN(c4nc[nH]n4)CC3)cc2)c1C 2356153167 VHMLXOLSEYEZOQ-UHFFFAOYSA-N 363.425 1.841 0 50 FDAA CN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1C(=O)O 4258240 XOCKWBUCANAFTK-UHFFFAOYSA-N 374.374 1.192 0 50 FDAA CC(C)(C)S(=O)(=O)N1CCC(NC(=O)Cc2cccc(O)c2)CC1 225434310 LBOBTYWFTCRUKO-UHFFFAOYSA-N 354.472 1.644 0 50 FDAA CN(C)[C@@H](C(=O)N1CCC(O)(CN2CCCC2)CC1)c1ccccc1F 65398128 GMWOCFRAGADRCD-GOSISDBHSA-N 363.477 1.878 0 50 FDAA C[C@@H](O)Cc1cn(C2CCN(C(=O)Cc3n[nH]c4ccccc34)CC2)nn1 23428694 ZVYUOGCKXAXDDX-CYBMUJFWSA-N 368.441 1.484 0 50 FDAA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C(=O)c1ccc(=O)n(C)n1 328656249 ZELAOOPGRWPYOR-STQMWFEESA-N 364.446 1.526 0 50 FDAA CC[C@@]1(C)NC(=O)N(NC(=O)CN(C2CC2)[C@H]2CCc3ccccc32)C1=O 252452550 OJFZSMAPWUWKCC-OXJNMPFZSA-N 370.453 1.890 0 50 FDAA O=C(NCc1ccc(S(=O)(=O)CCO)cc1)Nc1cccc(F)c1 252482743 DMUIBNNEYQYXIY-UHFFFAOYSA-N 352.387 1.913 0 50 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354.439 1.937 0 50 FDAA C[C@@H](O)c1cn(CCNC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)nn1 2325869645 WXLAPMDNAPCOMN-LLVKDONJSA-N 357.414 1.015 0 50 FDAA CC[C@@H](C)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 851778 ZUTUWJYMCADJHD-GFCCVEGCSA-N 369.425 1.586 0 50 FDAA in-vitro O=[N+]([O-])C(C(Cl)=C(Cl)Cl)=C(N1CCOCC1)N1CCOCC1 1232551 GCCKMFCEGDHXLQ-UHFFFAOYSA-N 372.636 1.982 0 50 FDAA O=C(c1ccc(N2CCOCC2)cc1)N1CCc2nc(C3CC3)nn2CC1 2356134873 GLFYQGKUVBOISK-UHFFFAOYSA-N 367.453 1.691 0 50 FDAA CCOC(=O)C1=C(C(=O)OC)[C@H](C(=O)OC)[C@@H]2C3=C(C=NN12)CCCC3 4542284 NZWCCOOMGCLYFL-JSGCOSHPSA-N 362.382 1.320 0 50 FDAA CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nccn2C)cc1 6133813 MTIUWBDJUYEUEE-UHFFFAOYSA-N 354.457 1.401 0 50 FDAA O=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)N1CCCC1 6701515 AQDTXDJLBYJCRY-AWEZNQCLSA-N 353.444 1.772 0 50 FDAA O=C(NS(=O)(=O)c1ccc(Cl)cn1)c1cc2c(s1)CCOC2 112158657 HWTPKHGHGGZLGL-UHFFFAOYSA-N 358.828 1.988 0 50 FDAA COc1ccccc1N1CC[C@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C1 247316082 MEZJVBBHDAAPKO-KGLIPLIRSA-N 352.456 1.215 0 50 FDAA C[C@@H](C(=O)NC1CCN(C)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 65362774 LPZIXGDNYALOFY-LBPRGKRZSA-N 373.906 1.705 0 50 FDAA O=c1cc(N2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)cn[nH]1 55402136 HFMJEZSSZDMMFE-UHFFFAOYSA-N 354.389 1.621 0 50 FDAA CC(C)=CCN1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1[C@H]3CNC[C@H]31)CC2 102762295 LQPVNIIEZXSMDP-VQFNDLOPSA-N 369.513 1.517 0 50 FDAA O=C(c1ccco1)N1CCCN(c2nccc(N3CCC[C@H](O)C3)n2)CC1 65374286 JVJQPAYQWFRMDQ-HNNXBMFYSA-N 371.441 1.383 0 50 FDAA Cn1cc(N2CCC[C@H](N3CCC(Cc4nccn4C)CC3)C2=O)cn1 119239210 XNVVMWJTXMFKNM-KRWDZBQOSA-N 356.474 1.604 0 50 FDAA COC(=O)CN(Cc1cc(OC)cc(OC)c1)C(=O)[C@@H](N)CC(F)F 423759010 LBJZIVFTQFMREE-ZDUSSCGKSA-N 360.357 1.188 0 50 FDAA Cc1c(CNC(=O)N2CCN(C(=O)c3ccccc3O)CC2)cnn1C 122156323 CEJANGGTVFLTRH-UHFFFAOYSA-N 357.414 1.102 0 50 FDAA C[C@@H](NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1)c1ccc(F)cc1 30871472 UULRDDRQDFMJAR-GFCCVEGCSA-N 357.451 1.521 0 50 FDAA Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)[C@@H]3CCc4cnn(C)c4C3)n2)c1 282469027 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O=C(c1n[nH]c(=O)c2ccccc12)N1CCCO[C@H](Cn2cccn2)C1 216547834 YKTWQKBGKPTKEG-ZDUSSCGKSA-N 353.382 1.051 0 50 FDAA CC(C)n1cc([C@]2(O)CCCN(C(=O)c3ccc4nccn4c3)C2)nn1 284522105 DWWGCJYWZJOEOV-SFHVURJKSA-N 354.414 1.631 0 50 FDAA O=C(c1ccc2nccnc2c1)N1CCC(Cn2cc(CO)nn2)CC1 48435709 XHLZHBMLEJFRFZ-UHFFFAOYSA-N 352.398 1.266 0 50 FDAA CCn1nc(C)c(CN2CCCn3nc(CNC(=O)COC)cc3C2)c1C 82155552 MWAMPXBNFFIWRI-UHFFFAOYSA-N 374.489 1.385 0 50 FDAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)CN2CCCCC2)C3)cn1 223497109 FZBWIFFCDANRTA-UHFFFAOYSA-N 355.442 1.851 0 50 FDAA CCN1C[C@]2(CCCN(C(=O)CCN3CCCN(C)CC3)C2)CCC1=O 82109075 NPPARKOGIMAHBC-FQEVSTJZSA-N 364.534 1.265 0 50 FDAA O=C(Cn1ccc([C@@H]2CCCNC2)n1)NCc1ccc(-n2cccn2)cc1 426518729 HLKQKCGDRQCVAI-QGZVFWFLSA-N 364.453 1.852 0 50 FDAA CC(=O)N1CCCn2nc(CNC(=O)[C@@H](C)n3nc(C)cc3C)cc2C1 82096167 IQCZKOKNBBPBGC-CQSZACIVSA-N 358.446 1.326 0 50 FDAA O=C(c1cnc2ccccn2c1=O)N1CCN(c2ccc(Cl)cn2)CC1 513593948 JMVSVTWVPIJQFH-UHFFFAOYSA-N 369.812 1.705 0 50 FDAA COc1ccccc1-c1c(C)nn(C)c1NC(=O)NCCc1ncnn1C 96163877 BEKQRRYPIMQXJX-UHFFFAOYSA-N 369.429 1.897 0 50 FDAA Cn1ccc([C@@H]2CCCCN2C(=O)Cn2cnc3ccccc3c2=O)n1 91665463 GFNJGNDBQWIACB-KRWDZBQOSA-N 351.410 1.884 0 50 FDAA CCc1nccn1CCC(=O)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)O)C1 95362695 HXXAVYLAFGFVFK-FOIQADDNSA-N 369.421 1.925 0 50 FDAA CN1CCC[C@H](CCC(=O)NCCS(=O)(=O)c2ccc(F)cc2)C1 97805622 KVDHZGPYIGDYQY-CQSZACIVSA-N 356.463 1.838 0 50 FDAA NC(=O)Cc1cccc(NC(=O)N2CCCO[C@H](CN3CCCCC3)C2)c1 97631899 DHOSNEMGXHRSJR-GOSISDBHSA-N 374.485 1.823 0 50 FDAA Cc1nc(N(C)C)nc(N2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)c1C 95381126 CUZVFBQJLGRMQP-ZDUSSCGKSA-N 361.446 1.061 0 50 FDAA COCC(=O)N1CCC(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)CC1 95391882 WRDYJTXIIKGUHB-GOSISDBHSA-N 359.470 1.387 0 50 FDAA CCn1c(C)nnc1SCCNC(=O)c1cnc(-c2cccnc2)nc1 95356615 PGHMYYQOIRTRHX-UHFFFAOYSA-N 369.454 1.981 0 50 FDAA Cc1ccc(C2(O)CCN(C(=O)[C@@H]3CSC(C)(C)C(=O)N3)CC2)nc1 97505487 WSORIJRYFSYUCU-ZDUSSCGKSA-N 363.483 1.210 0 50 FDAA 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360.863 1.779 0 50 FDAA CCc1nnc(SCC(=O)N2CCC(c3n[nH]c(=O)n3CC)CC2)o1 65460750 KOVUZTCIPRJRJA-UHFFFAOYSA-N 366.447 1.035 0 50 FDAA Cc1cc(NC(=O)[C@@H]2C[C@H](c3cccs3)NS(=O)(=O)N2C)no1 67640840 DFWYQPGKTDZGFJ-ZJUUUORDSA-N 356.429 1.263 0 50 FDAA C[C@H]1CN(CC(=O)N2CCC3(CCC(=O)N(C)CC3)CC2)C[C@@H](C)O1 67847685 NDRCFFFUIIKLTB-IYBDPMFKSA-N 351.491 1.347 0 50 FDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cn1nnc2ccccc2c1=O 478868416 URNVOTXWZMTLAA-GLQYFDAESA-N 356.382 1.036 0 50 FDAA CCN1CCN(S(=O)(=O)Cc2cccc(OC)c2)C[C@H]1c1ncc[nH]1 328629184 OOXOLCUZIYUAOJ-INIZCTEOSA-N 364.471 1.627 0 50 FDAA Cc1nc(CC(=O)N2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)cs1 77285070 UYNKJDQURICUCB-UHFFFAOYSA-N 367.434 1.724 0 50 FDAA COc1ccc(NC(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)cc1OC 363594933 IKNOYSXTDRVKCK-NSHDSACASA-N 361.398 1.895 0 50 FDAA O=C(Cc1cccnc1)N1CCn2nc(CN3CCSCC3)cc2C1 72426712 JSHLDMZOVCIWSF-UHFFFAOYSA-N 357.483 1.412 0 50 FDAA COc1nc2ccccc2nc1CCC(=O)NCCc1nc(N)cc(O)n1 219333147 FGRLPAWVBKETGO-UHFFFAOYSA-N 368.397 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Cc1nsc(N2CC3(CN(C(=O)[C@@H]4CCCO4)CC(C)(C)O3)C2)n1 1875405677 LUPCFMBNYOPMBR-LBPRGKRZSA-N 352.460 1.222 0 50 FDAA NC(=O)c1csc(N2CCC[C@H](CNC(=O)CCc3cccnc3)C2)n1 952970031 PQYFUORZWWJFLX-CQSZACIVSA-N 373.482 1.602 0 50 FDAA CO[C@@H]1CCN([C@H]2CCC[C@H]2N(C)C(=O)c2cnc3[nH]c(O)nc3c2)C1 886082524 KXTRAHNTTKGTDG-YUELXQCFSA-N 359.430 1.377 0 50 FDAA COc1ccc(S(=O)(=O)N[C@H]2COCC[C@@H]2OC)c2c1CCCC2 1565511668 SUBGXAIXXGNFDA-HOCLYGCPSA-N 355.456 1.656 0 50 FDAA Cc1csc(SCC(=O)N2CC[C@H](Nc3ncccn3)[C@@H](O)C2)n1 1565509488 RVTAUQOWYNFXHL-RYUDHWBXSA-N 365.484 1.408 0 50 FDAA Cc1cc(C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cn3)C[C@@H]2O)no1 1565516412 FBBCJOWUWPMKBS-AAEUAGOBSA-N 370.331 1.766 0 50 FDAA CCc1cc(S(=O)(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@H]2N(C)C)ccc1OC 1565511884 XZONDCCPYREMKK-ORQFMDKSSA-N 354.472 1.253 0 50 FDAA O=C(N[C@H]1CCN(Cc2cscn2)C[C@@H]1O)c1ccc2cc[nH]c2c1 1565526030 DQDWTTLDXJYDRN-RDJZCZTQSA-N 356.451 1.990 0 50 FDAA C[C@H](Oc1cccc(F)c1)C(=O)N1CC[C@H](N(C)Cc2nccc(N)n2)C1 276621644 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O=C(N1C[C@@H](CO)C[C@H](CN2CCOCC2)C1)C1(c2ccccc2)CC1 91819681 DHAZRZDYGJIJTB-MSOLQXFVSA-N 358.482 1.507 0 50 FDAA COCCn1nnc([C@H]2CN(c3nc(C)nc4ccsc34)CCO2)n1 91858608 STURGEVGOHIHST-GFCCVEGCSA-N 361.431 1.211 0 50 FDAA CN1CCCN(C[C@@H]2CN(C(=O)c3cc(F)cc(F)c3)C[C@@H]2CO)CC1 91391158 AQSREZCVFUBBDG-HZPDHXFCSA-N 367.440 1.283 0 50 FDAA CN(C)C(=O)CCC(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 95378767 ONCSRKFNIUPTDO-IOMROCGXSA-N 371.481 1.649 0 50 FDAA CCCc1nc(C)cc(N2CCC(N[C@H]3C=CS(=O)(=O)C3)CC2)n1 95365516 CVEGMFWESHOYRF-HNNXBMFYSA-N 350.488 1.607 0 50 FDAA CC(=O)c1c(C)nn(Cc2nc([C@H](O)c3ccccc3)nn2CCO)c1C 96167165 XXEPLMFAZJWANZ-GOSISDBHSA-N 369.425 1.416 0 50 FDAA CCCCN1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1=O 23231749 JBTZWPQXXCCNSB-UXHICEINSA-N 357.498 1.668 0 50 FDAA COCC(=O)N1CCC[C@H](C(=O)NCCc2nc(C)c(Cl)s2)C1 95383780 VJIKMLFFBPVRLR-NSHDSACASA-N 359.879 1.649 0 50 FDAA O=C(CCn1c(CO)nc2ccccc21)N1CCN(c2ncccn2)CC1 97098847 UUUIGSLOXYXQQW-UHFFFAOYSA-N 366.425 1.058 0 50 FDAA O=C(Nc1cc(Cl)ccc1-n1cncn1)N1CCS(=O)(=O)CC1 96130511 ITNKOOAWDOKFIG-UHFFFAOYSA-N 355.807 1.183 0 50 FDAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2cccc(C(C)=O)c2)C1 243932704 BYGKQQJSLXTLPX-IYBDPMFKSA-N 372.425 1.295 0 50 FDAA CCn1c(C)cc(C)c(C(=O)N[C@@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)c1=O 244787739 QCSJKZJQUPZYJE-UKPHBRMFSA-N 358.442 1.461 0 50 FDAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)C2=Cc3ccccc3OC2)c1O 253623768 KKAXNDKDIGKIEU-LBPRGKRZSA-N 370.361 1.714 0 50 FDAA biogenic CN(C)C[C@H]1COCCN(C(=O)c2cccc(-c3ccc(=O)n(C)n3)c2)C1 534655492 BUDCNAYVVPVPSI-OAHLLOKOSA-N 370.453 1.098 0 50 FDAA COc1ccc2c(c1)[C@H](NC(=O)c1cc(=O)n(C)c(=O)n1C)CC(C)(C)O2 65372849 OHPOEKTVFIKXOY-CYBMUJFWSA-N 373.409 1.125 0 50 FDAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cc[nH]c2C)CN1Cc1ncc[nH]1 96138395 DNSFWGVWVBDBME-ZBFHGGJFSA-N 372.473 1.288 0 50 FDAA COc1ccc2cc([C@@H]3CN(C(=O)CS(C)(=O)=O)CCO3)ccc2c1 299793284 HZPGWGWOFLRLOG-KRWDZBQOSA-N 363.435 1.793 0 50 FDAA O=C1NCC2(CCN(C[C@H]3CN(Cc4ccccc4)CCCO3)CC2)O1 299759113 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886095163 MWGZNKNGDYDUBP-QGZVFWFLSA-N 355.442 1.873 0 50 FDAA CCN1C(=O)C[C@@H](CNS(=O)(=O)CC(C)(C)C)[C@@H]1c1nccn1C 886033193 OIZOWGSMTSBIMP-GXTWGEPZSA-N 356.492 1.295 0 50 FDAA Cn1cnnc1C[C@]1(O)CCCN(Cc2nnc(-c3ccccc3)o2)C1 888077125 LWRSLHFBAOSCIP-GOSISDBHSA-N 354.414 1.435 0 50 FDAA Cn1cc(O[C@@H]2CCC[C@@H]2NC(=O)c2cccc3c2OCC(=O)N3)cn1 888095049 LXNIDLTWLUBGHJ-DZGCQCFKSA-N 356.382 1.481 0 50 FDAA Cc1nc(CC(=O)N2CC3(CCOCC3)[C@H]2c2cnn(C(C)(C)C)c2)n[nH]1 888101151 JBCPXZVSLXEAML-QGZVFWFLSA-N 372.473 1.987 0 50 FDAA CCNc1ccnc(N2CC[C@](Cc3ccccc3)(C(=O)O)[C@@H](O)C2)n1 1529186799 KERCJZRYXMFAGH-HNAYVOBHSA-N 356.426 1.793 0 50 FDAA O=C(N[C@H]1COCC[C@@H]1Oc1ccc(CO)cc1)c1ncc(F)cc1F 1565528400 QIFIXWGNBDZUMV-HOTGVXAUSA-N 364.348 1.818 0 50 FDAA C[C@@H](c1ccccn1)N(C)C(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 276513319 BOMRSUNMOPWFIF-SCLBCKFNSA-N 374.441 1.217 0 50 FDAA Cc1ccc(N2CC[C@H](NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)C2=O)cc1 170002876 UVGNMWXTYPXGPD-PTTAZLHSSA-N 354.406 1.739 0 50 FDAA CCOC(=O)[C@@H](COC)N(CC(=O)N(C)Cc1ccccc1C)C1CC1 170606439 BNDFVWYDZTUJNX-GOSISDBHSA-N 362.470 1.996 0 50 FDAA COCCNC(=O)Cn1cc(NC(=O)[C@H]2CCCc3cccnc32)cn1 194462926 QXHMPCBBEUPLPS-HNNXBMFYSA-N 357.414 1.099 0 50 FDAA CN1CCC[C@]2(CO)CCN(Cc3ccc(S(C)(=O)=O)cc3)C[C@@H]12 1704337692 CBCVXXMZRQVLPQ-QZTJIDSGSA-N 352.500 1.369 0 50 FDAA CN1[C@H](c2cccc(F)c2F)[C@H](C(=O)NCC(C)(C)CO)C[C@@H]1C(=O)O 213330979 ZMTGBVPZAJECQO-UXIGCNINSA-N 370.396 1.546 0 50 FDAA Cc1ccc(N2CCCN(C(=O)CN3Cc4ccccc4C3)CC2)nn1 1772813696 PFXVWAZQGFAWFX-UHFFFAOYSA-N 351.454 1.840 0 50 FDAA O=C(NCCn1nc(-c2ccccc2)ccc1=O)[C@@H]1CC2CCN1CC2 1775981205 BIVRCYKLTMMPCT-SFHVURJKSA-N 352.438 1.511 0 50 FDAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CN(C)C)C2)CC1 11665478 INHHYIIVOROVAW-QGZVFWFLSA-N 360.502 1.370 0 50 FDAA CC(C)c1ccc(CN2CCC[C@@H](n3cc(C(=O)NCCO)nn3)C2)cc1 12039321 UNXMTVXORQHUFT-GOSISDBHSA-N 371.485 1.961 0 50 FDAA Cc1cc(C)n(CCN(C)C(=O)[C@@H]2CCCN(C3CCN(C)CC3)C2)n1 12587843 POIGTRUVWQNLHQ-GOSISDBHSA-N 361.534 1.765 0 50 FDAA O=C(c1n[nH]c(=O)c2ccccc12)N1CCC[C@@H](c2nnc3ccccn23)C1 14180608 ALAJFFUUMASDMG-CYBMUJFWSA-N 374.404 1.986 0 50 FDAA CC(C)[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccc(Cl)cc3)CN2C1=O 14749895 QOSRZRVAISQMFD-IHRRRGAJSA-N 364.833 1.585 0 50 FDAA COCCNC(=O)c1nc(Cn2c(C(F)F)nc3ccccc32)no1 16577519 IJSURCLVJNKQIX-UHFFFAOYSA-N 351.313 1.781 0 50 FDAA O=C(NCC(=O)N1CCCC[C@H]1CCN1CCOCC1)c1ccccc1 19812207 YCNVADRCTMHWQK-SFHVURJKSA-N 359.470 1.520 0 50 FDAA CSc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 19931659 ZDWBURDPXNJANN-GFCCVEGCSA-N 357.501 1.865 0 50 FDAA COc1cnc(C)cc1C(=O)NC[C@@H](c1ccccn1)N1CCOCC1 1857678255 KIDCXXIQFQWQKM-KRWDZBQOSA-N 356.426 1.597 0 50 FDAA COCCN1CC[C@@H](O)[C@]2(CCCN(C(=O)CCc3ccccc3)C2)C1 1857699241 JDEMSYVDBKAYGA-TZIWHRDSSA-N 360.498 1.941 0 50 FDAA O=C(CNc1cccnc1)N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857712193 FWAGNTTZYSVOBR-CEXWTWQISA-N 352.438 1.824 0 50 FDAA COC(=O)CNC(=O)N[C@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857715271 JRAYKPFDKLZPAD-SOUVJXGZSA-N 367.833 1.326 0 50 FDAA Cc1nnc(N2C[C@@H](C(=O)N3CCC(Cn4cccn4)CC3)CC2=O)s1 1857716027 SVLNGHIOXHCTTD-AWEZNQCLSA-N 374.470 1.335 0 50 FDAA CC(C)n1cnc(S(=O)(=O)N[C@H]2CCCO[C@@H]2c2cnn(C)c2)c1 328627940 NEYSIJAGHWUWSS-DZGCQCFKSA-N 353.448 1.396 0 50 FDAA O=C(Cc1csc2ccc(Cl)cc12)NC[C@]1(O)CCS(=O)(=O)C1 333112306 SKBOUWPUOMXZNS-OAHLLOKOSA-N 373.883 1.763 0 50 FDAA COc1cc(C(=O)O)cc(NS(=O)(=O)c2cnn(C(C)C)c2)c1OC 266780360 UZOYDXIXBNSWIO-UHFFFAOYSA-N 369.399 1.980 0 50 FDAA COc1cccc(S(=O)(=O)N2CC[C@H](O)[C@@](CC3CC3)(C(=O)O)C2)c1 1704327712 GXAUZFQKHVQIAK-RDJZCZTQSA-N 369.439 1.322 0 50 FDAA CC1(C(=O)N[C@H]2CCC[C@H]2CNC(=O)[C@@H]2[C@H]3COC[C@H]32)CC(F)(F)C1 2325794714 OGDUAOFXROICAH-PDWCTOEPSA-N 356.413 1.715 0 50 FDAA C[C@@]1(CO)COCCN(C(=O)[C@H](c2ccccc2F)N2CCOCC2)C1 2325800958 OKKPULGFNLIWJR-PKOBYXMFSA-N 366.433 1.056 0 50 FDAA CC(C)N(C)C(=O)CCC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1ccco1 2325827033 SPDJZCYMQWAHEX-LSDHHAIUSA-N 361.442 1.742 0 50 FDAA CN(C)Cc1nc2ccc(NC(=O)c3cn(C[C@@H]4CCOC4)nn3)cc2[nH]1 2325879607 ANFCRTLMWKXAJY-LBPRGKRZSA-N 369.429 1.505 0 50 FDAA CCOC(=O)CN1C(=O)[C@@](O)(CC(=O)c2ccc(N)cc2)c2ccccc21 915228 HFZXOZBKJILIAD-HXUWFJFHSA-N 368.389 1.639 0 50 FDAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1 1156572 JRWLSJCJJNWXLZ-UHFFFAOYSA-N 352.456 1.255 0 50 FDAA CCCOC(=O)c1ccc(OC[C@H](O)CN2C(=O)NC(C)(C)C2=O)cc1 1813397 CPXOBWJBALRHQK-CYBMUJFWSA-N 364.398 1.324 0 50 FDAA O=C(c1cc(=O)n(-c2ccccc2)[nH]1)N1CCc2nc(C3CC3)nn2CC1 2356141149 WNFIYDOIVOMURQ-UHFFFAOYSA-N 364.409 1.333 0 50 FDAA COCCn1nc(C)nc1[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 2356169853 JNRFYEZMMNPRAI-SJORKVTESA-N 357.414 1.432 0 50 FDAA O=C(Nc1ccccn1)c1cc(S(=O)(=O)N2CCOCC2)cs1 6680831 CPGQINDFVHXAOL-UHFFFAOYSA-N 353.425 1.416 0 50 FDAA COc1cc(S(=O)(=O)N2CCOCC2)c(C)cc1Br 6747399 KOJZZKWYLNECON-UHFFFAOYSA-N 350.234 1.787 0 50 FDAA Cn1cc(N2CCC[C@H](N3C(=O)N[C@H](Cc4ccccc4)C3=O)C2)cn1 225557046 JNNBLQDFAIDWRM-DOTOQJQBSA-N 353.426 1.552 0 50 FDAA CCCCC(=O)Nc1cc(NC(=O)[C@@H](C)NS(C)(=O)=O)ccc1OC 55154063 CYODCHQERFMVRG-LLVKDONJSA-N 371.459 1.700 0 50 FDAA CCc1ccccc1N1C[C@@H](C(=O)N[C@@H](C)CS(C)(=O)=O)CC1=O 172008695 MAJIGAMQVHIXRO-JSGCOSHPSA-N 352.456 1.151 0 50 FDAA COc1cc(CN2CCc3nnc([C@H]4CCCO4)n3CC2)cc2c1OCO2 20448684 CMEHFQUBUFMJBM-CQSZACIVSA-N 372.425 1.925 0 50 FDAA OCCN1CCN(Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)CC1 20919447 BWZWSOVDJBYKHQ-UHFFFAOYSA-N 370.375 1.789 0 50 FDAA COc1cc(-c2nc(CN3CCN(C)C(=O)C3)c(C)o2)cc2c1OCO2 67743024 NOGUPRAOLQHTFD-UHFFFAOYSA-N 359.382 1.661 0 50 FDAA COc1ccc(C)cc1S(=O)(=O)N[C@@H](C(=O)O)c1c(C)n[nH]c1C 67774419 RZDJGTRGOQPBOW-CQSZACIVSA-N 353.400 1.448 0 50 FDAA CN1C[C@H](Nc2nc(-c3cccnc3)nc3c2CCNCC3)CCC1=O 65394747 JVOGUWCQDNFOHC-CQSZACIVSA-N 352.442 1.260 0 50 FDAA CNC(=O)CN(C)c1ccc(C(=O)N2CCC[C@@H](C(=O)CC(C)C)C2)cn1 67965701 JRAITISDKBTTDF-MRXNPFEDSA-N 374.485 1.731 0 50 FDAA CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)COCc1nc2ccc(F)cc2[nH]1 67884735 KYBWPLZRRGOOJV-OLZOCXBDSA-N 360.389 1.440 0 50 FDAA COC[C@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCO1 172620760 BRYNEBWKSQERRE-SJLPKXTDSA-N 350.434 1.912 0 50 FDAA CN(CC(=O)NCCc1nc(C(=O)O)cs1)Cc1ccccc1F 218684053 MDRZWOHITPWHDF-UHFFFAOYSA-N 351.403 1.771 0 50 FDAA CCCS(=O)(=O)N1CCN(c2cc(-n3cnc(C)c3C)ncn2)CC1 72117843 XCUFHJFQEQYFTD-UHFFFAOYSA-N 364.475 1.141 0 50 FDAA Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)cn1 124974702 CCPRQYVKNLKLLI-NSHDSACASA-N 351.432 1.046 0 50 FDAA Cc1nnc(SCCNC(=O)[C@@H](c2ccccc2)n2cnnn2)s1 219684904 BDYNCTDSGKZVFC-GFCCVEGCSA-N 361.456 1.331 0 50 FDAA CN[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 151023655 FWZOSWXBUOFRHT-NSHDSACASA-N 350.362 1.804 0 50 FDAA C[C@@H](C(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(C)c1)c1cccs1 328629312 OQDSYZKMCAIKME-YPMHNXCESA-N 353.469 1.583 0 50 FDAA CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)c2scnc2C)cn1 328631016 QLQNFVYLSCPXJD-GFCCVEGCSA-N 354.457 1.280 0 50 FDAA CSc1ncc(C(=O)NC[C@H](c2ccccn2)N2CCOCC2)cn1 219796192 AGWYXGDXBVNOJQ-OAHLLOKOSA-N 359.455 1.397 0 50 FDAA CC(C)c1cc(C(=O)N2CCOC[C@H]2CC(=O)N2CCSCC2)no1 72430009 APOLTAROQMFSBL-CYBMUJFWSA-N 367.471 1.605 0 50 FDAA CS(=O)(=O)c1ccc(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)cc1 332576068 GHCAJIQDTKZTNF-UHFFFAOYSA-N 374.344 1.356 0 50 FDAA COc1cc(CNC(=O)N2CCCN(Cc3noc(C)n3)CC2)ccn1 173678645 HYXCYPQOHCUKHE-UHFFFAOYSA-N 360.418 1.199 0 50 FDAA C[C@@H]1CCSCCN1C(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 241317000 LWTJWRLDPGSOFZ-PBFPGSCMSA-N 353.488 1.841 0 50 FDAA CN(Cc1cccc(OCCN2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 215919081 HNKIALUJDMLEDF-KRWDZBQOSA-N 368.499 1.017 0 50 FDAA CCOCCNC(=O)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71750663 LCFJSZPIAUHVOU-LJQANCHMSA-N 374.529 1.911 0 50 FDAA O=C(NCc1cc(-c2cccnc2)no1)[C@H](c1ccccc1)n1cnnn1 219864211 VPZIBHMVTOTDHY-KRWDZBQOSA-N 361.365 1.629 0 50 FDAA Cc1cc(C(=O)O)cc(S(=O)(=O)N2CC[C@@H](N3CCCC3)C2)c1C 237895678 PXDMEOOCWIIAOC-OAHLLOKOSA-N 352.456 1.860 0 50 FDAA CC(C)CC(=O)C(=O)N1CCC(c2nnc(CN3CCCC3)n2C)CC1 77469995 DUEHXUVQNGZWJO-UHFFFAOYSA-N 361.490 1.732 0 50 FDAA CCN(C(=O)c1cn(C/C=C/c2ccccc2)nn1)[C@@H]1CCS(=O)(=O)C1 72133260 GFIQQVQJQKBEKQ-YXMGTMDOSA-N 374.466 1.641 0 50 FDAA O=S(=O)(c1ccc(NC(=S)N2CCCC2)cc1)N1CCOCC1 16211406 UZPFNIRWOMOVTF-UHFFFAOYSA-N 355.485 1.500 0 50 FDAA COc1ccccc1N1CCN(C(=O)[C@@H]2CC3(CCNCC3)CN2C)CC1 72407164 HCHJVORBGPGNLG-SFHVURJKSA-N 372.513 1.418 0 50 FDAA Cc1nn(C)c(C)c1CCC(=O)NC[C@H]1CN(c2ccccc2)CCO1 82121721 KDZJIBPQEDIGKR-SFHVURJKSA-N 356.470 1.991 0 50 FDAA COc1ccc(CN2CCCN(c3cncc(OCCO)n3)CC2)cc1 133047294 RJTOTJYLXPFVAW-UHFFFAOYSA-N 358.442 1.569 0 50 FDAA Cc1cnc(-c2ccc(C(=O)N[C@@H]3C=CS(=O)(=O)C3)cc2)nc1N(C)C 426368235 HGXRVBTWSGMOLQ-OAHLLOKOSA-N 372.450 1.559 0 50 FDAA O=C(O)CC[C@@]1(CCC(=O)NCc2cc(F)ccc2F)CCC(=O)N1 223426327 YSDMFRMOCIXRAM-QGZVFWFLSA-N 354.353 1.875 0 50 FDAA COc1ccc(S(=O)(=O)N2CCN(CCC(=O)O)CC2)cc1Cl 320116248 RWBJMDVAFCBJIC-UHFFFAOYSA-N 362.835 1.130 0 50 FDAA CCCC[C@@H]1CN(c2ccccc2OC)C(=O)CN1C(=O)CCC(N)=O 82087880 PNSHYFGNJPMKLF-CQSZACIVSA-N 361.442 1.695 0 50 FDAA CCN(C(=O)NCc1nc(-c2ccccc2)n[nH]1)[C@@H]1CCS(=O)(=O)C1 426661195 HTGQLBQPKZDLKU-CYBMUJFWSA-N 363.443 1.190 0 50 FDAA CC(=O)N[C@@H]1CN(S(=O)(=O)c2cccnc2)C[C@H]1c1ccc(C)cc1 82120004 RMZJVFLMUMZQKX-ZWKOTPCHSA-N 359.451 1.683 0 50 FDAA C[C@@H](CN1CCOCC1)C(=O)N1CCCN(C2Cc3ccccc3C2)CC1 82114609 WMYQIAGWKGVIDV-SFHVURJKSA-N 371.525 1.656 0 50 FDAA NC(=O)c1ccc(CN2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)cc1 82133768 YEUOPAVSCJTZMQ-FQEVSTJZSA-N 359.470 1.373 0 50 FDAA CCCn1cnnc1CN(C)C(=O)c1ccc(N2CCN(C)CC2)cc1 223609870 KBJVNXRROCQYBA-UHFFFAOYSA-N 356.474 1.712 0 50 FDAA C[C@@H]1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)CCc1nncn1C 82133458 WCRVOJGURJYUMQ-GFCCVEGCSA-N 361.833 1.665 0 50 FDAA Cc1nccn1CC1CCN(C(=O)c2cc(-n3cnnn3)ccc2O)CC1 223902870 VYHSFEIRCGRCII-UHFFFAOYSA-N 367.413 1.425 0 50 FDAA COC(=O)c1cc(OC)ccc1-c1cccc(C(=O)N[C@@H]2CCNC2=O)c1 426651359 PDEJAUJSYCXREG-QGZVFWFLSA-N 368.389 1.767 0 50 FDAA CS[C@H](C)CCN1CCC2(CC1)c1nc[nH]c1CCN2S(C)(=O)=O 92065225 OGHBVPVRWNEXFH-CYBMUJFWSA-N 372.560 1.660 0 50 FDAA O=C(NC1CCCC1)c1ccc(S(=O)(=O)NC2CCOCC2)cc1 91288768 WXYWVYYMWSPBKE-UHFFFAOYSA-N 352.456 1.816 0 50 FDAA CC(C)c1nnsc1CNC(=O)[C@@H](c1cccnc1)N1CCOCC1 97711599 WGSKSXJZAWQRIL-MRXNPFEDSA-N 361.471 1.746 0 50 FDAA CCOc1cccc(CN2CCCn3nc(CNC(=O)COC)cc3C2)c1 92045529 ADWVTROZIARCAI-UHFFFAOYSA-N 372.469 1.950 0 50 FDAA COc1cc(CN2CC(O)C2)ccc1OC[C@H](O)CN1CCCCCC1 95528224 DWSNCMLTAVOCGS-GOSISDBHSA-N 364.486 1.487 0 50 FDAA Cc1nc(C)n(CCCNC(=O)Nc2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)n1 95507788 DQBWTXSFYKIVQR-LLVKDONJSA-N 372.429 1.850 0 50 FDAA CCN(C)C[C@@H]1CN(C(=O)c2c[nH]nc2-c2cccc(OC)c2)C[C@@H]1CO 91416687 LKLQGPVKLJKFBF-HZPDHXFCSA-N 372.469 1.718 0 50 FDAA Cc1cc(C)n(-c2cccc(C(=O)NCCN3CCC(CO)CC3)c2)n1 96131903 PIXNLKBJXDWYPW-UHFFFAOYSA-N 356.470 1.923 0 50 FDAA CNC(=O)CN1C[C@H](C(C)C)[C@@H](NC(=O)c2cccc3c2NCCC3)C1 91649877 ANYMXGZPQQATKA-SJORKVTESA-N 358.486 1.477 0 50 FDAA O=C(c1n[nH]c2c1CCC2)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 92097329 RNVIWTQYDIVTDC-WCQYABFASA-N 371.466 1.618 0 50 FDAA Cc1cc(C)n(CCCC(=O)N2C[C@H]3CC[C@@H]2CN(S(C)(=O)=O)C3)n1 91625399 CLMNUFPQHSKDIJ-JKSUJKDBSA-N 368.503 1.163 0 50 FDAA NC(=O)N1CCC[C@H](C(=O)N2CCN(C3Cc4ccccc4C3)CC2)C1 91595705 ODOFHKLBJVTKPF-KRWDZBQOSA-N 356.470 1.089 0 50 FDAA O=C(c1cn[nH]c1)N1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2)C1 95511836 NWTFMHSIHMSKBS-HNNXBMFYSA-N 362.455 1.382 0 50 FDAA O=C(CCn1cncn1)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1 91321171 ANGDLHCQNRWEPD-MRXNPFEDSA-N 365.441 1.714 0 50 FDAA c1cncc(-c2ccnc(N3CCCO[C@@H](CN4CCOCC4)C3)n2)c1 97732864 GAHQLNYNYJEPJT-KRWDZBQOSA-N 355.442 1.466 0 50 FDAA CCn1c(Cn2cccn2)nnc1C1CCN(c2nccc(OC)n2)CC1 91643259 WPFAJZJTWJKWSE-UHFFFAOYSA-N 368.445 1.725 0 50 FDAA O=C(C[C@H]1N=C(O)N(Cc2ccco2)C1=O)N[C@H](CO)c1ccccc1 253535807 FFMDTIPAGSTQJX-HUUCEWRRSA-N 357.366 1.144 0 50 FDAA COc1cccc(CNC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccncc2)n1 299743063 JTCAZHUHBBUGHN-MAUKXSAKSA-N 354.410 1.711 0 50 FDAA COc1cccc(CC(=O)N[C@@H]2CCN(C(=O)c3ccccc3)C[C@H]2O)c1 252488256 IOGCBYJFQGDSIS-RTBURBONSA-N 368.433 1.630 0 50 FDAA CCc1cc(N2CCN(Cc3nnc([C@H]4C[C@@H](N)C4)n3CC)CC2)ncn1 252536849 JRHCLESSNSQPLN-GASCZTMLSA-N 370.505 1.177 0 50 FDAA CN(Cc1cc(-c2ccncc2)no1)C(=O)NC[C@@H]1CCCN(CCO)C1 534661947 SOSSSUHDGPEPRG-HNNXBMFYSA-N 373.457 1.582 0 50 FDAA COc1cccc(OCCN2CCN(c3ccc(C(N)=O)cn3)CC2)c1 268860549 RMNZTBVRUVPJDQ-UHFFFAOYSA-N 356.426 1.390 0 50 FDAA Cc1nn(CCCNC(=O)c2cnc3cc(=O)[nH]n3c2C)c(C)c1Cl 299795257 KAGHXNWSZMVLSD-UHFFFAOYSA-N 362.821 1.618 0 50 FDAA Cc1cnc2c(C(=O)NCc3ccc4c(c3)n(C)c(=O)n4C)cnn2c1 65507719 QOLGDIYXMRATLO-UHFFFAOYSA-N 350.382 1.158 0 50 FDAA CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccco2)CN1Cc1ccncc1 96151111 TUIWTEZFIJWFRC-IRXDYDNUSA-N 370.453 1.916 0 50 FDAA CCn1c(C)cc(C)c(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)c1=O 299797444 OXQDTJWIGZDAPT-INIZCTEOSA-N 369.469 1.921 0 50 FDAA O=C(NCC1CCN(Cc2ccc3c(c2)OCCO3)CC1)[C@H]1CCOC1 827778738 USMRMAHEDWJFSF-KRWDZBQOSA-N 360.454 1.823 0 50 FDAA Cn1cc(CCC(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cn1 828057149 CDTIBRKGJWSJHI-UHFFFAOYSA-N 372.425 1.229 0 50 FDAA COC1(CO)CCN(C(=O)[C@@H]2CC(c3cccc(Cl)c3F)=NO2)CC1 867856107 IBTSBXXKAUTNEG-AWEZNQCLSA-N 370.808 1.972 0 50 FDAA CCOc1cc(N2CC[C@H](Oc3cnccc3CNC(C)=O)C2)ncn1 952849635 OSMFVZXBABLXMX-HNNXBMFYSA-N 357.414 1.564 0 50 FDAA CCn1c(=O)c(=N[C@@H]2C[C@H](Cn3ccnc3)C[C@H]2O)[nH]c2ccccc21 1875398481 RQPHUVUBLSWRJU-YSVLISHTSA-N 353.426 1.286 0 50 FDAA O=C(N[C@H]1C[C@H]2C[C@H](CO)C[C@@H]12)c1nc(N2CCCC2)ncc1Cl 1875274660 PYYQZECVIALWTL-SFTQSGBHSA-N 350.850 1.867 0 50 FDAA COc1cccc(C[C@H](NC(=O)N2CCN3C(=O)N(C)C[C@@H]3C2)C2CC2)c1 1875263516 LNOSTULKIRIPJB-AEFFLSMTSA-N 372.469 1.778 0 50 FDAA Cc1cc(N2CC[C@@H](NC(=O)c3cnn[nH]3)C[C@@H]2C)n2nc(C)cc2n1 1875339589 PODVWAXNXNNZLR-QWHCGFSZSA-N 354.418 1.252 0 50 FDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3ccc4c(c3)C(=O)NCC4)n[nH]c21 1875393680 KQFFCVJRXJREQI-MNOVXSKESA-N 354.410 1.648 0 50 FDAA Cc1noc([C@H]2OCC[C@H]2NC(=O)[C@@H]2CC(=O)N(C)c3ccccc32)n1 1329241214 OCSWHUFRFAPBQS-IOASZLSFSA-N 356.382 1.475 0 50 FDAA Cc1cc(C(=O)N2CCN([C@]3(C(N)=O)CCOC3)CC2)ccc1Cl 886096774 OYWSPJBLRVLPET-QGZVFWFLSA-N 351.834 1.051 0 50 FDAA CCc1ncnc(N2CC[C@H](Oc3ccnc(CNC(C)=O)c3)C2)c1F 886050397 FLBGSQFNSAMKBJ-HNNXBMFYSA-N 359.405 1.867 0 50 FDAA O=C(c1conc1-c1ccccc1)N1CC[C@H](Nc2ncccn2)[C@@H](O)C1 1565507633 KCUMUOMWSMPQFJ-HOTGVXAUSA-N 365.393 1.819 0 50 FDAA COCCn1cncc1CN1C[C@H]2c3ccccc3OC[C@@]2(C(=O)O)C1 1565508943 DDYVBXZDOSBBCI-LPHOPBHVSA-N 357.410 1.592 0 50 FDAA COc1cc(CN[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc(OC)c1 170066186 JHVUCMJIIQGMOJ-YOEHRIQHSA-N 355.456 1.530 0 50 FDAA C[C@@H](N)[C@H]1CN(C(=O)CNC(=O)Cc2cccc3ccccc23)CCO1 170048623 GCHOBNRWUXHGHT-RDTXWAMCSA-N 355.438 1.073 0 50 FDAA Cn1cnnc1SCC(=O)NC[C@@H](c1cccnc1)N1CCCCC1 1506419396 BJSFPFBYZCQEID-HNNXBMFYSA-N 360.487 1.646 0 50 FDAA Cc1cncc(C(=O)N2CCCN(C(=O)Cc3c(C)n[nH]c3C)CC2)c1 1529100141 OCEQDBSFOYURKE-UHFFFAOYSA-N 355.442 1.647 0 50 FDAA Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2c(C)noc2C)n[nH]1 213336808 YSSYSGHLAMKGHX-KGLIPLIRSA-N 357.414 1.586 0 50 FDAA CN(C)C(=O)N1CCN(CCCc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 213345887 BRWAIYHCUBPIIF-SJORKVTESA-N 365.499 1.084 0 50 FDAA CCCN1C[C@]2(C(=O)O)CN(C(=O)CCc3ccsc3)C[C@@H]2C1=O 215283410 XCUQNLVGFCJXLU-DYVFJYSZSA-N 350.440 1.462 0 50 FDAA Cc1ccc(Cl)cc1C(=O)N1C[C@H]2COC[C@@H]1CN(CC(=O)O)C2 1704309303 QJHPLGGTFCALQR-JSGCOSHPSA-N 352.818 1.506 0 50 FDAA COC[C@@H](O)CN(C)c1noc(-c2ccc(F)c(OC)c2)c1C(=O)O 1704312121 KJBCRAHTYNZNIC-JTQLQIEISA-N 354.334 1.631 0 50 FDAA Cc1c(C(=O)N2CC[C@](Cc3ccccc3)(C(=O)O)[C@@H](O)C2)ccn1C 1704343883 KLGGFVKRZPLSER-FXAWDEMLSA-N 356.422 1.854 0 50 FDAA CC(=O)NCCCC(=O)N[C@H]1COC[C@@H]1Cc1ccnc2ccccc12 1616070071 RJHWZLLDDPGXQX-LPHOPBHVSA-N 355.438 1.825 0 50 FDAA N[C@H]1CC[C@@H](NC(=O)[C@H]2CCc3sc(N4CCOCC4)nc3C2)CC1 1772818843 LZHNGLTZCNFUGB-MELADBBJSA-N 364.515 1.471 0 50 FDAA Cn1nccc1C(=O)N1CCCN(C[C@H]2COc3ccccc3O2)CC1 1772712395 REFIWOPPBASNHB-HNNXBMFYSA-N 356.426 1.408 0 50 FDAA CCOC(=O)C1(NC(=O)CCCCc2c(C)nc(N)[nH]c2=O)CCCC1 5324996 ZBZYUNZBGWZUMZ-UHFFFAOYSA-N 364.446 1.365 0 50 FDAA COCCN(C)C(=O)c1sc2ncnc(NCCN(C)C)c2c1C 12218138 RCSLKKKDPXAXIS-UHFFFAOYSA-N 351.476 1.692 0 50 FDAA 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COCc1noc(CNc2nc(C3CCCC3)nc3c2CCNCC3)n1 72477457 ADNFHFPCMISOEB-UHFFFAOYSA-N 358.446 1.964 0 50 FDAA Cc1cccc(CNC(=O)c2cn(C[C@@H]3COc4ccccc4O3)nn2)n1 11665282 TVYHNWTVBYIDRH-OAHLLOKOSA-N 365.393 1.752 0 50 FDAA COc1ccc2[nH]nc(CN3CCC[C@]4(CCC(=O)N(CCO)C4)C3)c2c1 77469971 LYEGZGHVEZHLDS-FQEVSTJZSA-N 372.469 1.768 0 50 FDAA O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc2c(c1)CCC=C2 329197578 VIOPLGCPGZQWTD-LJQANCHMSA-N 369.465 1.309 0 50 FDAA CC(C)[C@H]1CN(S(C)(=O)=O)C[C@@H]1Nc1ncccc1C(=O)N(C)C 219595358 ZOUQPMSXZYLZHK-KGLIPLIRSA-N 354.476 1.111 0 50 FDAA Cc1cnccc1OC1CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)CC1 365367147 UOAMRCPWSBJYFY-YSVLISHTSA-N 372.469 1.952 0 50 FDAA NS(=O)(=O)c1ccc(Cn2ccnc2-c2cccc3nonc23)cc1 71750714 VEPKHNOFVNJZNC-UHFFFAOYSA-N 355.379 1.782 0 50 FDAA Cc1nn(C)c(C)c1-c1cc(C(=O)N(CCO)Cc2nccs2)n(C)n1 215095375 QKBQFLTVGPNJKA-UHFFFAOYSA-N 374.470 1.529 0 50 FDAA COc1ccnc(N2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)n1 71721470 CTTVRSXAWNUNKU-UHFFFAOYSA-N 366.425 1.802 0 50 FDAA O=C(O)[C@H]1CC2(CCNCC2)CN1C(=O)c1c[nH]c2c(F)cccc2c1=O 72169125 VROVFSRTDXFAEV-CQSZACIVSA-N 373.384 1.336 0 50 FDAA O=C(O)c1cccc(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)n1 262391895 APOGZPDQBXQNJM-INIZCTEOSA-N 353.378 1.873 0 50 FDAA O=C(C1CC1)N1CCC[C@H](Cn2ccnc2-c2cc3n(n2)CCNC3)C1 72456897 SPWXITWWGGJTOR-CQSZACIVSA-N 354.458 1.498 0 50 FDAA CCN(CC)C[C@H]1CCN(S(=O)(=O)c2ccccc2S(C)(=O)=O)C1 173919221 UIQXMQUPECMTHU-CQSZACIVSA-N 374.528 1.443 0 50 FDAA Cc1nc2ncnn2c(C)c1CCC(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 237780788 MCZOZRMAILXOGT-BPUTZDHNSA-N 371.441 1.918 0 50 FDAA COc1cc(Cl)c(S(=O)(=O)N2CCC[C@H](C(=O)O)C2)cc1OC 262793775 DIRDVSWQPPBVSP-VIFPVBQESA-N 363.819 1.843 0 50 FDAA Cc1ccccc1C(=O)NC[C@@H]1CCN(C(=O)CN2CCCC2)C[C@H]1O 72427147 MBXHPKZKLRSXIY-FUHWJXTLSA-N 359.470 1.030 0 50 FDAA COC(=O)N1CCCC[C@@H]1C(=O)N1CCN(CCc2ccccc2)C(=O)C1 219718692 RBSTZCXKWATCCJ-QGZVFWFLSA-N 373.453 1.521 0 50 FDAA Cc1nn(C)c(C)c1CC(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C 284590250 MAAYQFPNAQYZHA-HNAYVOBHSA-N 358.490 1.512 0 50 FDAA O=C(Cn1nnc(-c2ccccc2)n1)N[C@H]1CCN(CC(F)(F)F)C1 129734298 CSIDNYRCALKHDU-LBPRGKRZSA-N 354.336 1.093 0 50 FDAA O=C(CCc1cc2n(n1)CCNC2)N[C@@H](Cn1cccn1)c1ccccc1 72453474 LRMCJAQEKDLVFX-IBGZPJMESA-N 364.453 1.673 0 50 FDAA COc1ccc(CN2CCn3nc(CNC(=O)N(C)C)cc3C2)c(C)c1 82162013 QFPVDOWDDILTTJ-UHFFFAOYSA-N 357.458 1.987 0 50 FDAA CN[C@H]1CCCN(C(=O)c2nnn(-c3cccc4cccnc34)c2C)C1 133374855 HBQPDMURGYPKPC-HNNXBMFYSA-N 350.426 1.948 0 50 FDAA O=C(Cn1c(=O)oc2ccccc21)N[C@@H]1CC(=O)N(Cc2ccccc2)C1 223499351 QKKVFWSCBPOGLP-OAHLLOKOSA-N 365.389 1.512 0 50 FDAA O=C(Cn1ncc(N2CCCC2)cc1=O)NC[C@@H]1OCCc2ccccc21 20538254 XGQUKGRSUAGTMT-SFHVURJKSA-N 368.437 1.274 0 50 FDAA Cc1ccccc1N1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)CC1=O 82161615 XCRWHAWKPNRQSR-UHFFFAOYSA-N 373.434 1.131 0 50 FDAA Cc1ccn2c(C(=O)N(C)Cc3nc(-c4ccncc4)no3)nnc2n1 426359467 GETYBIFGCLIPHX-UHFFFAOYSA-N 350.342 1.150 0 50 FDAA Nc1nc(C2CC(N)C2)cc(N2CCC(OCc3cccnc3)CC2)n1 223135331 NVPGGPHPSLVGDU-UHFFFAOYSA-N 354.458 1.844 0 50 FDAA O=C(Cc1cncnc1)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 290926121 OLXCGAXVKVGZLO-CYBMUJFWSA-N 366.468 1.050 0 50 FDAA CN1CCN(CCNC(=O)N(CCCO)Cc2ccc(Cl)cc2)CC1 426571619 NOSZPIOABGZNGK-UHFFFAOYSA-N 368.909 1.481 0 50 FDAA CCc1ccccc1N1CCN(C(=O)NCCCN2CCC[C@@H](O)C2)CC1 426425152 FSYPBBCBKXCSQT-LJQANCHMSA-N 374.529 1.927 0 50 FDAA Cc1cc(N2CCC3(CCC(=O)N(CCCO)C3)CC2)nc(N(C)C)n1 91931930 QJBWKLAVAQZCTE-UHFFFAOYSA-N 361.490 1.442 0 50 FDAA Cc1cc(C)n(CCNC(=O)Nc2cccc(N3CCOC3=O)c2)c(=O)n1 96141233 YCYMLFQNMHIRQO-UHFFFAOYSA-N 371.397 1.638 0 50 FDAA CCN1CCc2nc[nH]c2C12CCN(C(=O)c1cc3ncccn3n1)CC2 95516933 USNMYONWSUQPIS-UHFFFAOYSA-N 365.441 1.462 0 50 FDAA O=C1C[C@@H](C(=O)N2CCN(c3nccs3)CC2)CN1Cc1ccncc1 97609980 LCCZZBDMMLRNMK-OAHLLOKOSA-N 371.466 1.235 0 50 FDAA CN(C)c1ccccc1C(=O)N1CCC2(CCC(=O)N(CCCO)C2)CC1 91635738 FSVMSZRSUKHHRH-UHFFFAOYSA-N 373.497 1.980 0 50 FDAA Cc1nc(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)c(C)o1 293789423 ZRXQTQSMZZEBAH-CXAGYDPISA-N 357.414 1.649 0 50 FDAA 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Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCCC2(CCOCC2)C1 244716139 LJBBPSCPXVASGH-UHFFFAOYSA-N 352.456 1.675 0 50 FDAA COCc1nnc(NC(=O)CN2CC[C@H](n3nc(C)cc3C)C2)s1 244690868 IYKGBQPMZGJACC-LBPRGKRZSA-N 350.448 1.383 0 50 FDAA COc1ccc([C@@H](NC(=O)c2cnn3ccn(C)c23)[C@H]2C[C@H](O)C2)cn1 252536541 IVNHUDVJOIRNNZ-XJKCOSOUSA-N 355.398 1.318 0 50 FDAA C[C@H](CNC(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1)N1CCOCC1 183471579 XOMIZCOOCZKVDU-ZBFHGGJFSA-N 366.893 1.939 0 50 FDAA CCn1ncnc1[C@H](C)NC(=O)c1ccc(-c2cc(=NC)nc(N)[nH]2)cc1 534652347 RBMCLUUXEIZJSD-NSHDSACASA-N 366.429 1.292 0 50 FDAA CCn1ncnc1[C@H](C)NC(=O)N(C)Cc1nc(O)c2sccc2n1 534637862 OJHZIAIGYZBDNR-VIFPVBQESA-N 361.431 1.911 0 50 FDAA COc1cccc(-c2n[nH]cc2C(=O)N2CCc3c(nc(C)[nH]c3=O)C2)c1 72155938 OVSDVCPTMQEELG-UHFFFAOYSA-N 365.393 1.676 0 50 FDAA CC(C)[C@@H](O)c1nnc2ccc(C(=O)NCCCN3CCCC3=O)cn12 1940194937 DKLQNNUCFXWKNZ-MRXNPFEDSA-N 359.430 1.161 0 50 FDAA O=C1N[C@H](C(=O)Nc2ccnn2Cc2ccccc2C(F)(F)F)CO1 1940198268 ZPNATYSXABUOOD-NSHDSACASA-N 354.288 1.997 0 50 FDAA CNC(=O)c1ccc(Cl)c(NC(=O)N2CCO[C@@H](CCOC)C2)c1 299768800 MQJSUEOERBFOED-LBPRGKRZSA-N 355.822 1.969 0 50 FDAA Cc1ccc(-n2cnnc2)cc1NC(=O)N1CCC(N2CCOCC2)CC1 299772899 ASBFQMYPLZMTFN-UHFFFAOYSA-N 370.457 1.904 0 50 FDAA Cc1ccn2cc(CNC(=O)c3cc4ncc(CCO)cn4n3)nc2c1 828773645 YYPJGRMVHXDCDD-UHFFFAOYSA-N 350.382 1.150 0 50 FDAA Cc1cccc(N2CCC(NC(=O)NC[C@@H]3CCS(=O)(=O)C3)CC2)c1 828014979 ZWCAUNFAOCXZJN-HNNXBMFYSA-N 365.499 1.698 0 50 FDAA CNc1cnc(C(=O)N2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)cn1 952849076 WVJAULQRIUTXFN-OLZOCXBDSA-N 353.430 1.780 0 50 FDAA COCCOC[C@@H](O)CN1CCC(c2nccc(-c3cncnc3)n2)CC1 952893081 RITGSMLMLAUKOK-KRWDZBQOSA-N 373.457 1.137 0 50 FDAA Cc1nc([C@@H]2CCO[C@@H]2CN(C)C(=O)c2ncoc2C(F)(F)F)n[nH]1 952885799 AXHSSPSQGTZTHP-RKDXNWHRSA-N 359.308 1.765 0 50 FDAA Cc1noc([C@@H]2C[C@@H](O)[C@@H](CNC(=O)C(F)(F)C3CCOCC3)C2)n1 952887150 YIMYCGWPGGCTMD-DMDPSCGWSA-N 359.373 1.411 0 50 FDAA Cc1nn(C)c(C)c1C(=O)N[C@H]1CCCN(Cc2nc(C(C)C)n[nH]2)C1 1875335330 BXEGCEKJFZNBMR-AWEZNQCLSA-N 359.478 1.673 0 50 FDAA C=CC(=O)NC[C@H](NC(=O)Cn1nnnc1C)c1ccc2ccccc2c1 1875386697 WXDXTNYXFILWEF-KRWDZBQOSA-N 364.409 1.294 0 50 FDAA COc1cccc([C@H](C)[C@@H]2CCN(C(=O)C(=O)NCc3c[nH]nc3C)C2)c1 1875308263 WRHUESROLYSYSF-XJKSGUPXSA-N 370.453 1.995 0 50 FDAA O=C(Cc1cnn(-c2ccccc2)n1)N1CCOCC[C@@H]1C(F)(F)F 1875313709 XTVHECCTVGSSIJ-CQSZACIVSA-N 354.332 1.990 0 50 FDAA Cc1c(C[S@@](C)=O)cccc1NC(=O)c1cncc2c1CCNC2=O 1875290088 RNHZXXGTPUPMRC-RUZDIDTESA-N 357.435 1.807 0 50 FDAA Cc1nc(C(=O)N(C)CCc2cnc[nH]2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875403885 IXQFQNHVKYARGK-MRXNPFEDSA-N 371.489 1.272 0 50 FDAA Cc1cc(CCC(=O)N[C@@H]2C[C@H](Cn3cc(Cl)cn3)C[C@H]2O)nn1C 1875402081 AVCPAIBVBWQWOM-APHBMKBZSA-N 365.865 1.467 0 50 FDAA Cc1ncc(F)c(=NCC2CC3(C2)CC(NC(=O)Cc2cc[nH]n2)C3)[nH]1 1875407562 CPEXAYDNMWFXLS-UHFFFAOYSA-N 358.421 1.399 0 50 FDAA Cc1cc(C(=O)O)cc(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)c1 1875405945 SFWRGSFNMXMQJT-CZUORRHYSA-N 352.456 1.941 0 50 FDAA Cc1noc(C)c1S(=O)(=O)N(Cc1cccnc1)C[C@@H]1CCC(=O)N1 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CC(C)n1cnc(S(=O)(=O)N2C[C@@H](CO)[C@H](c3ccsc3)C2)c1 188875934 RDWXTXGHOYHODG-KBPBESRZSA-N 355.485 1.922 0 50 FDAA CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)CCn1cc(Cl)cn1)C2 1073416304 WPTBPOGSUZCVPJ-OCCSQVGLSA-N 353.854 1.531 0 50 FDAA CCN(CCN1CCC(C)CC1)C(=O)[C@H]1OCC(=O)N[C@@H]1c1cccnc1 1529106428 PBFZSFWZZXKZMO-MOPGFXCFSA-N 374.485 1.218 0 50 FDAA O=C(c1ccn[nH]1)N1C[C@@H]2OC(=O)N(CCc3cccc(Cl)c3)[C@@H]2C1 211168896 BSBZPJLUEOGZTB-CABCVRRESA-N 360.801 1.951 0 50 FDAA O=C(CN1C[C@H](c2ccccc2)[C@@H](C(=O)O)C1)NCc1ccc(C(=O)O)o1 222101580 MQKLGZIWJCSIEI-CABCVRRESA-N 372.377 1.394 0 50 FDAA O=C(NC1CCS(=O)(=O)CC1)c1ccc(F)c(Br)c1 231659510 IIBLQVCUTLHMBJ-UHFFFAOYSA-N 350.209 1.895 0 50 FDAA CCN1CCN(C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)CC1 19527852 NFLCAEFEHCOSLZ-UHFFFAOYSA-N 359.879 1.270 0 50 FDAA CN1C(=O)C[C@](CC(=O)N2CCCC[C@H]2CO)(c2cccc(F)c2)C1=O 200566127 REJMSXHCVQKEPK-KXBFYZLASA-N 362.401 1.216 0 50 FDAA Cc1cc(O)ccc1C(=O)N1CCO[C@@H](CN(C)C)[C@@H]1c1cnn(C)c1 1857719086 CFFQNTCMGYORRY-ROUUACIJSA-N 358.442 1.578 0 50 FDAA CCc1ccccc1C(=O)NC[C@H]1[C@H]2CN(CCC(=O)O)C[C@]23CC[C@H]1O3 1857731333 PSSSZJUHWWCROI-XKGFGPFHSA-N 372.465 1.933 0 50 FDAA Cc1cccc([C@H](C(=O)N2CCC3(CC2)CNC(=O)CCO3)N(C)C)c1 1857740054 FUAATQFLNRCWIS-GOSISDBHSA-N 359.470 1.495 0 50 FDAA O=C(NCc1ccccc1CN1CCCC1=O)[C@H]1CCn2nccc2C1 1857741069 BAUCUTWTNYOCIM-HNNXBMFYSA-N 352.438 1.884 0 50 FDAA Cc1[nH]c2ccccc2c1CC(=O)N1CCc2nc(C(N)=O)cn2CC1 1875246657 DORWEEXDBSHIMT-UHFFFAOYSA-N 351.410 1.399 0 50 FDAA COc1cc(CN2CC[C@](Cc3ccccc3)(C(=O)O)[C@@H](O)C2)ccn1 1875250571 MZMKPRVKGFCDIW-FXAWDEMLSA-N 356.422 1.971 0 50 FDAA O=S(=O)(c1cnc2n1CCC2)N1CCN(CC2CCCCC2)CC1 330010956 HLJLDPIUKOFUJQ-UHFFFAOYSA-N 352.504 1.716 0 50 FDAA CC(C)c1cc(N2CC[C@H](N3CCOCC3)[C@@H](O)C2)nc(C(F)(F)F)n1 248151431 BNXDVERHLJMZKP-KBPBESRZSA-N 374.407 1.891 0 50 FDAA Cc1ccc([C@@H](CC(=O)N2CCOC[C@@H]2C)C(=O)N2CCOC[C@@H]2C)cc1 820984543 DRJGQBOWWUPPLG-JENIJYKNSA-N 374.481 1.963 0 50 FDAA Cc1cc(C)c(S(=O)(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3C)c(C)c1 1704336569 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CHZIIOPDJWLJCM-KRWDZBQOSA-N 366.502 1.805 0 50 FDAA Cc1nc(C(C)C)ncc1C(=O)N1CCn2nc(C(=O)NC3CC3)cc2C1 65508305 ZKOLOULHJHYMEC-UHFFFAOYSA-N 368.441 1.653 0 50 FDAA CN(Cc1nc2ccccc2s1)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 65381208 GDAHQEBUACIALZ-LBPRGKRZSA-N 367.496 1.374 0 50 FDAA CC(C)c1ccc(CN2CCC[C@](O)(CNCCn3ccnn3)C2=O)cc1 67947726 OESBRMOXPQBTBE-FQEVSTJZSA-N 371.485 1.545 0 50 FDAA O=C(CCc1cccnc1)N1C[C@H]2[C@@H](C1)OC(=O)N2CCN1CCCCC1 67688506 ZYRXPMDUNUSPAG-ZWKOTPCHSA-N 372.469 1.532 0 50 FDAA C[C@@H]1CCCCN1CCN(C)C(=O)c1cc(CN2CCC(O)CC2)on1 67726783 WLMWYILSBPPNRL-OAHLLOKOSA-N 364.490 1.578 0 50 FDAA Cc1nn(-c2ccccc2)cc1CN[C@H]1CCN(c2ccn(C)n2)C1=O 360091403 CXEAZGPSBIWUCT-KRWDZBQOSA-N 350.426 1.809 0 50 FDAA COc1ccccc1Cc1ncc(S(C)(=O)=O)c([C@H]2CCCNC2)n1 71757209 FHYZUPRVUWNVOD-AWEZNQCLSA-N 361.467 1.947 0 50 FDAA Cc1nccc(N2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)n1 71422292 VRYYWBDFPGEGMU-QGZVFWFLSA-N 373.501 1.325 0 50 FDAA Cc1ccc(CNC(=O)Cn2nc(C)n(-c3ccc4c(c3)OCO4)c2=O)o1 77286056 FHFZXESFSHDAHP-UHFFFAOYSA-N 370.365 1.289 0 50 FDAA COCCc1cc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)n(C)n1 123069486 BNHKAJHGCYZPEC-KRWDZBQOSA-N 370.453 1.781 0 50 FDAA Cc1cc(N2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)nc(N)n1 71419191 CCEUMUADRGITFV-AWEZNQCLSA-N 358.490 1.327 0 50 FDAA COc1cc(C(=O)NC2CCN(C(=O)Cc3ccccc3OC)CC2)on1 363834154 NFCXODPRWVMKNW-UHFFFAOYSA-N 373.409 1.655 0 50 FDAA C[C@@H]1CN(C(=O)c2nn(-c3ccccc3F)cc2O)C[C@@H](C)S1=O 331112488 JHTGBTUCAGDNTP-GHMZBOCLSA-N 351.403 1.699 0 50 FDAA O=C(Cc1noc2ccccc12)N1CCN(c2ncnc3nc[nH]c23)CC1 215966048 UQSSHYKLFMOKJQ-UHFFFAOYSA-N 363.381 1.385 0 50 FDAA CN(Cc1nc(-c2ccccc2)no1)C(=O)c1cnc(C2CC2)[nH]c1=O 72421749 SBIPUFBWKQOHHI-UHFFFAOYSA-N 351.366 1.970 0 50 FDAA O=S(=O)(N[C@@H]1CCc2ccccc2OC1)c1ccc2nc(O)[nH]c2c1 367191862 PBMRMTBXNHCGGR-GFCCVEGCSA-N 359.407 1.941 0 50 FDAA Cn1cc([C@@H](NC(=O)c2cccc(Cn3cccn3)c2)C2CC(O)C2)cn1 219069209 DCTFNVMLIJAEBQ-KVZIAJEVSA-N 365.437 1.907 0 50 FDAA Cc1cccnc1CN1CCN(C(=O)[C@H]2CC(=O)OC23CCCC3)CC1 72407087 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334057451 WGHHTIHPRHNZFC-GFJSAUFNSA-N 373.409 1.889 0 50 FDAA Cc1cccc(C[C@@H](CNC(=O)c2ccc3c(c2)nnn3C)C(=O)O)c1 237681124 HCDHSZFJDDTLPA-HNNXBMFYSA-N 352.394 1.950 0 50 FDAA CN(C)Cc1nnc(C2CCN(C(=O)CN(C)c3ccccc3)CC2)n1C 77503320 KCKHISZHPCBGGZ-UHFFFAOYSA-N 370.501 1.719 0 50 FDAA Cc1ccn2c(C(=O)N[C@H]3CC(=O)N(Cc4cccc(F)c4)C3)nnc2n1 72128049 NFWGKBDBXCIRBH-AWEZNQCLSA-N 368.372 1.103 0 50 FDAA Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 72433656 OXFGOXCHZXFRSO-GFCCVEGCSA-N 367.409 1.197 0 50 FDAA O=C(Cn1ccccc1=O)N1CCN([C@@H]2CCc3ccccc3C2)CC1 72168564 GCAQZOZEWQXZQO-LJQANCHMSA-N 351.450 1.550 0 50 FDAA NC(=O)[C@H](CO)Nc1nc(-c2cnccn2)nc2sc3c(c12)CCCC3 286520302 ZOBMKJMFJMJRRK-NSHDSACASA-N 370.438 1.285 0 50 FDAA CC(C)N1C[C@H](NC(=O)N(C)Cc2cc(-c3cccnc3)no2)CC1=O 426551805 MBIHMEGAEPTCBU-CQSZACIVSA-N 357.414 1.887 0 50 FDAA CCc1cc(C(=O)NCc2cc3n(n2)CCN(C(=O)C2CCC2)C3)on1 426652994 QMYNCCGVIMHTQX-UHFFFAOYSA-N 357.414 1.506 0 50 FDAA CCn1nc(C(C)C)cc1C(=O)N1CCC(Cn2cc(CO)nn2)CC1 48148151 BMUFBIOCGMPFPZ-UHFFFAOYSA-N 360.462 1.663 0 50 FDAA CCn1ncnc1[C@H](C)NC(=O)c1ccc(-c2c(C)nc(O)nc2O)cc1 426518337 OPPRAZNUFGULDL-NSHDSACASA-N 368.397 1.966 0 50 FDAA CCCN(C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O)C1Cc2ccccc2C1 426551783 JMIIKGZSNKETRM-KRWDZBQOSA-N 356.426 1.994 0 50 FDAA NCCCOc1cc(Cl)ccc1C(=O)N1C[C@H](O)[C@@H](N2CCCC2)C1 426707244 QKBAPGDQGYVYFV-HOTGVXAUSA-N 367.877 1.349 0 50 FDAA COCCN1CC[C@@H](CNC(=O)N(C)Cc2nc(-c3ccccc3)no2)C1 426667497 OMCQDTRNLCIGBD-HNNXBMFYSA-N 373.457 1.846 0 50 FDAA CCC[C@@H]1CN(Cc2cnc(N3CCCC3)s2)C[C@H]1NS(C)(=O)=O 82160734 SFLHZHFJKLEHCL-UKRRQHHQSA-N 372.560 1.893 0 50 FDAA O=C(O)[C@@H]1CN(Cc2cnc(N3CCOCC3)s2)C[C@H]1c1cccnc1 92028699 NTKSPYZRYZIRQR-JKSUJKDBSA-N 374.466 1.675 0 50 FDAA CCn1c(C)ccc(C(=O)N2CCN(Cc3ccccc3F)C(=O)C2)c1=O 91444613 BDTABCZDYVFRFG-UHFFFAOYSA-N 371.412 1.800 0 50 FDAA CN(Cc1nc2c(s1)CCCC2)C(=O)CN1C(=O)COc2cccnc21 95530628 VVKAVQHESQDAES-UHFFFAOYSA-N 372.450 1.801 0 50 FDAA COCCN(C)CC(=O)N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1 92107318 GUQZIRBHXNPOHC-IBGZPJMESA-N 351.491 1.206 0 50 FDAA C[C@@H](C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O)N1CCOCC1 91746243 BRXBQKAJYVJZCB-AWEZNQCLSA-N 358.442 1.133 0 50 FDAA CCN(C)C(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2nnc(N)s2)c1 95373888 PUZWEOURJVCWAN-VIFPVBQESA-N 369.472 1.252 0 50 FDAA Cn1ccnc1SCCNC(=O)[C@@H]1CC(=O)N(Cc2cccnc2)C1 95384377 GBVQDMIEGNCHFD-CQSZACIVSA-N 359.455 1.072 0 50 FDAA O=C(c1cccc(N2CCNC2=O)c1)N1CCC(N2CCSCC2)CC1 96137327 IQSULSRFBWSRMU-UHFFFAOYSA-N 374.510 1.870 0 50 FDAA CNc1nc(N2CC[C@@]3(CCCN(CCOC)C3=O)C2)nc2c1CCC2 95376129 MMCMLIXFVKASOB-IBGZPJMESA-N 359.474 1.472 0 50 FDAA COCC(=O)Nc1cccc(NC(=O)NCCn2nc(C)nc2C)c1C 97743569 UDWWSDRXEYHSNT-UHFFFAOYSA-N 360.418 1.610 0 50 FDAA O=C1C[C@@H](C(=O)O)C2(CCN(C(=O)Nc3ccc(F)cc3F)CC2)N1 95358998 YFTILIYYGKKSMQ-JTQLQIEISA-N 353.325 1.552 0 50 FDAA COc1cccn(CC(=O)N2CCC3(CC2)OCCC[C@H]3OC)c1=O 95504434 IFRVZRFQBOJYLP-OAHLLOKOSA-N 350.415 1.044 0 50 FDAA CNC(=O)[C@@H]1C[C@@H](NC(=O)Cc2coc3cc(C)c(Cl)cc23)CN1C 95506915 CFSBJDCWVCUSQK-DOMZBBRYSA-N 363.845 1.872 0 50 FDAA CCc1noc(CN(C(=O)[C@@H](c2cccnc2)N2CCOCC2)C(C)C)n1 97402376 DAQXGKGDCLUHMC-GOSISDBHSA-N 373.457 1.838 0 50 FDAA CCN(CCO)C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)C[C@@H]1CO 91626307 YDULSKFUBIZCQD-HUUCEWRRSA-N 374.403 1.700 0 50 FDAA Cc1nccn1CCCN1C[C@H]2CN(C3CCOCC3)C[C@@]2(C(=O)O)C1 96166980 BJGLTZTVHYROOY-LPHOPBHVSA-N 362.474 1.079 0 50 FDAA Cc1nc(N2CCC(C(N)=O)(N3CCCCC3)CC2)cc([C@H]2C[C@@H](O)C2)n1 244608498 FDUGCRVTQZEQPC-IYBDPMFKSA-N 373.501 1.334 0 50 FDAA COC(=O)CNC(=O)CC[C@@H]1N=C(O)N(c2cccc3ccccc23)C1=O 252482821 DOMFSSNQJCPNJR-AWEZNQCLSA-N 369.377 1.538 0 50 FDAA CCOCCn1nc(C)cc1C(=O)N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1 252550144 SAOQPROMRLGMNF-DAYGRLMNSA-N 358.442 1.865 0 50 FDAA CCn1nc(C)c(C(=O)N[C@H]2C[C@@H](c3cc(O)nc(COC)n3)C2)c1C 253534891 QZKWBUXEUBDHRF-BETUJISGSA-N 359.430 1.838 0 50 FDAA CN(C)c1cccc(-c2cccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)c2)c1 299782067 VDHXTKCISFBIQF-QZTJIDSGSA-N 374.462 1.307 0 50 FDAA COCCN1CC[C@H](CNC(=O)C2(c3ccccc3)CCN(C)CC2)C1 299802282 SLJJGMHEHILQLV-GOSISDBHSA-N 359.514 1.735 0 50 FDAA COc1ccc(-c2cc(CNC(=O)[C@@H]3CCCCn4nnnc43)no2)cc1 299764633 BSKZNDGNNIEFNH-OAHLLOKOSA-N 368.397 1.921 0 50 FDAA CN(CC(=O)N1CC[C@@H]2OCc3cnnn3[C@H]2C1)Cc1ccc(F)cc1 299778093 LTOTWRGGDYUNAL-IRXDYDNUSA-N 359.405 1.221 0 50 FDAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)CN1CCCN(C)CC1 823778328 BEBVPGFHFXHGOK-UHFFFAOYSA-N 358.486 1.807 0 50 FDAA CCc1nnc(CNC(=O)N2CCN(Cc3ncccc3C)CC2)s1 584901831 GILYSAQVPXBWFT-UHFFFAOYSA-N 360.487 1.831 0 50 FDAA Cc1cnn([C@H](C)C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)c1 827654743 CHDQNRXDWJSOMM-XXHRWZRVSA-N 355.446 1.603 0 50 FDAA Cc1cc(S(=O)(=O)NCCCN2CCC[C@@H](O)C2)c(Cl)cc1F 670446638 BCEWMDOVEXEOPF-GFCCVEGCSA-N 364.870 1.913 0 50 FDAA CCn1nccc1C(=O)N1CC[C@@H](c2cc(O)nc(N3CCCC3)n2)C1 864854410 BBZKSKUJNFDODO-CYBMUJFWSA-N 356.430 1.629 0 50 FDAA CCc1ccc(OCC(=O)NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)cc1 952849221 STKIJBLIVVGVFJ-ZMSDIMECSA-N 358.442 1.427 0 50 FDAA CN(C)C(=O)[C@@H]1COCCN1C(=O)c1cnc2c(cnn2C2CCCC2)c1 1875296324 QNCYQUMFWJECLM-INIZCTEOSA-N 371.441 1.476 0 50 FDAA CN1CCC[C@@H]1[C@](C)(O)c1ccc(OC[C@H]2C[N@@]2Cc2cnn(C)c2)cc1 1875385180 NVEULSGEFDCSOI-GUQHISFFSA-N 370.497 1.985 0 50 FDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCN(Cc4ccon4)CC3)nn(C)c21 1875300274 VNZIVBWAXHQMOL-OLZOCXBDSA-N 359.430 1.388 0 50 FDAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)NCc1ncnn1-c1ccccc1 1875314834 VLMKYBQKYMIYTB-OLZOCXBDSA-N 366.425 1.953 0 50 FDAA COCCn1ccnc1[C@H]1N(C(=O)COC2CCOCC2)CC1(C)C 952890990 QTONBIQGMNXKRS-MRXNPFEDSA-N 351.447 1.635 0 50 FDAA COc1ccc2c(ccn2CC(=O)N[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)c1 1875403071 PJHDGBHMQKKUAV-LSBZLQRGSA-N 368.437 1.802 0 50 FDAA CC[C@@]1(C(=O)N2CCOC3(CN(C(=O)c4ccco4)C3)C2)CC1(F)F 1875406963 PZFYPKQJSSLRIH-INIZCTEOSA-N 354.353 1.768 0 50 FDAA O=C(N[C@]12CCC[C@@H]1N(C(=O)Cc1cncnc1)CCC2)[C@@H]1CC12CC2 1875405130 URGSAGIERCIWPG-FTRWYGJKSA-N 354.454 1.849 0 50 FDAA Cc1cc(Cl)ccc1C(=O)N1CCN([C@@]2(C(N)=O)CCOC2)CC1 886096394 DSONGUYDIGMYSQ-KRWDZBQOSA-N 351.834 1.051 0 50 FDAA CCN1CCO[C@@H](CNC(=O)COc2ccccc2)[C@@H]1c1nccn1C 886027098 FJPHXRBQJXKGQG-FUHWJXTLSA-N 358.442 1.377 0 50 FDAA COCc1nc2n(n1)C[C@H](NC(=O)C1(OC)CCC(C(F)F)CC1)CC2 888092964 RXULFBFDOAUAEL-VMBJYNEYSA-N 372.416 1.696 0 50 FDAA O=C(c1cnc(O)nc1O)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 1565531018 ZAOASGPUQAJQCO-CABCVRRESA-N 354.410 1.624 0 50 FDAA COc1ncccc1C(=O)N[C@H]1CCOC[C@@H]1Oc1ccc(C(N)=O)cc1 1565511993 RVQCDSCQXKDRJX-HOTGVXAUSA-N 371.393 1.155 0 50 FDAA CCCN1C[C@@H]2CC[C@H]1CN(S(=O)(=O)c1ccc(NC(N)=O)cc1)C2 1565526796 DEXSLJFODXORAO-ZFWWWQNUSA-N 366.487 1.672 0 50 FDAA CC(C)[C@@H](CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)C(=O)O 274935693 DEIAOZUACHMMLS-CQSZACIVSA-N 354.428 1.449 0 50 FDAA CCOC(=O)N1CC[C@@H](NC(=O)CCc2nc3ccccc3c(=O)[nH]2)C1 170597998 MPLAABMUEJKMHO-GFCCVEGCSA-N 358.398 1.203 0 50 FDAA O=C(c1ccccn1)[C@H]1CCCN(c2ncc(F)c(N3CCOCC3)n2)C1 1506419701 IYMDCKYGBRNAEB-AWEZNQCLSA-N 371.416 1.947 0 50 FDAA O=C(Cc1cccs1)N1CCCN(C(=O)[C@H]2CC[C@H](O)CC2)CC1 1529099144 RKAWJUHRFOXUGC-SHTZXODSSA-N 350.484 1.903 0 50 FDAA Cc1ccc(F)c(CN2CCCN(C(=O)[C@H]3CCC(=O)NC3)CC2)c1F 1529134337 XFSMKSNDGNGVRB-AWEZNQCLSA-N 365.424 1.834 0 50 FDAA CCn1ccnc1CN1CC[C@H]2[C@H](CCC(=O)N2CCc2cnc[nH]2)C1 215123882 VBQAPLNYRYWBTP-WBVHZDCISA-N 356.474 1.682 0 50 FDAA O=C(COc1ccc(CN2C[C@H]3C[C@@H](O)C[C@H]3C2)cc1)NC[C@H]1CCCO1 1800414538 SJLDVTYUCUCCLD-AJYBTWMASA-N 374.481 1.563 0 50 FDAA O=C(c1cc2c(nc1O)CCCC2)N1CCN2[C@H](COC[C@H]2C2CC2)C1 1615963307 CAVFXLVDNKTNBQ-YJBOKZPZSA-N 357.454 1.601 0 50 FDAA O=C(c1cccc(Cl)c1)N1CCC(C(=O)N2C[C@H](O)[C@@H](F)C2)CC1 1616105604 IALQIJJZRVCGPR-GJZGRUSLSA-N 354.809 1.733 0 50 FDAA N=c1[nH]nc(N2CCC3(CC[C@@H](CNC(=O)c4ccco4)O3)CC2)s1 1857680153 CNFBINKOQVWXLK-NSHDSACASA-N 363.443 1.492 0 50 FDAA Oc1nc(N2CCOCC2)nc2c1CC[C@]21CCCN(c2nccs2)C1 1857685865 YCTHHHNRJOYDEM-SFHVURJKSA-N 373.482 1.960 0 50 FDAA CN(C)[C@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3csc4c3CCCC4)C[C@@H]12 1857693553 BLFCNOLXXRBXNS-NOLJZWGESA-N 368.524 1.426 0 50 FDAA CNC(=O)Cc1nc(-c2scc3c2CCCC3)n(-c2cnn(C)c2)n1 1857700003 IGYUMVGETLPBHU-UHFFFAOYSA-N 356.455 1.897 0 50 FDAA CN(Cc1cn2c(n1)CCCC2)S(=O)(=O)c1ccc2nc(O)[nH]c2c1 328633007 SFQZDACBCUFXKB-UHFFFAOYSA-N 361.427 1.622 0 50 FDAA Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H](CCC(=O)O)C1 237575666 LZPLJUKTYMZHFQ-DLBZAZTESA-N 371.441 1.869 0 50 FDAA C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc(C(N)=O)cn2)CC1 155410577 AYJQOUKMXFHEOC-CYBMUJFWSA-N 353.426 1.531 0 50 FDAA O=C1NCCN(C(=O)CCc2ccoc2)[C@H]1Cc1nc2ccccc2o1 373819084 JIHVZPKBRQCQMS-HNNXBMFYSA-N 353.378 1.923 0 50 FDAA COCCn1ccc(NC(=O)NC[C@@H]2CCCN(c3ccccc3)C2)n1 378195022 QZISUDZVVNMOIM-INIZCTEOSA-N 357.458 2.568 0 50 FDAA O=C(CN1CCN(C(=O)[C@@H]2CCc3cn[nH]c3C2)CC1)NC1CCCCC1 266391193 WGDOLHONXBFQMC-OAHLLOKOSA-N 373.501 1.108 0 50 FDAA Cc1nnc2n1C[C@@H](C(N)=O)N(C(=O)c1ccc(C3=CCCC3)cc1)C2 818346756 OCHZFFGZLLGGBN-INIZCTEOSA-N 351.410 1.664 0 50 FDAA Oc1ccc(N2CCN(c3cc(OC4CCOCC4)ncn3)CC2)cn1 2325802645 RNGZWCSPBKKOIA-UHFFFAOYSA-N 357.414 1.462 0 50 FDAA O=C(O)CN(CCN1CCOCC1)C(=O)CCc1cccc(F)c1Cl 2325808642 OYCJVBLHKAHPCW-UHFFFAOYSA-N 372.824 1.657 0 50 FDAA NCc1ccc(NC(=O)c2nc3nc(C(F)(F)F)ccn3n2)cc1F 2325856760 ARCYZBMVFQSQGX-UHFFFAOYSA-N 354.267 1.993 0 50 FDAA Cc1c(CCC(=O)N2CCC(C(N)=O)CC2)c(=O)oc2cc(O)ccc12 2109192 VJVYVQJGRPSKLH-UHFFFAOYSA-N 358.394 1.464 0 50 FDAA biogenic CN(C)S(=O)(=O)CCCN1CCC2(CC1)OCCc1sccc12 2356140328 DYVBSNCLKWBRLX-UHFFFAOYSA-N 358.529 1.893 0 50 FDAA COc1cccc([C@@H](O)CNC(=O)CCS(=O)(=O)c2ccccc2)n1 2356142602 ZBWMSSNYPONRLX-HNNXBMFYSA-N 364.423 1.104 0 50 FDAA Cc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@@H]1N2C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 4044100 MPMGYYYSXBITBB-XMYGDYTESA-N 353.374 1.826 0 50 FDAA biogenic CC(=O)N1CCC(N2CCN(c3nnc(C(F)(F)F)s3)CC2)CC1 65371848 CUKVLIORQXZVSK-UHFFFAOYSA-N 363.409 1.690 0 50 FDAA Cc1cc(NC(=O)Cn2cc(-c3ccc(C(=O)N(C)C)cn3)cn2)n(C)n1 63834757 GQCTZMRPOXUHHS-UHFFFAOYSA-N 367.413 1.328 0 50 FDAA C[C@H](NS(C)(=O)=O)C(=O)NCc1cccnc1N(C)C1CCCCC1 67755511 XIMYBCRWAKLCSE-ZDUSSCGKSA-N 368.503 1.404 0 50 FDAA CCn1c(C2CCN(C(=O)NCCc3ccc(OC)cc3)CC2)n[nH]c1=O 65506840 BPXSXGAWGMRSIF-UHFFFAOYSA-N 373.457 1.732 0 50 FDAA Cc1ccc(C(=O)N2Cc3c(-c4ccncc4)nc(N)nc3[C@@H]2C)c(=O)[nH]1 65407381 YWZYHNLQVRHMGE-NSHDSACASA-N 362.393 1.835 0 50 FDAA COc1ccc(OC)c(N([C@@H](C)C(=O)N2CCCC2)S(C)(=O)=O)c1 65365790 STQDWBRZWQARAA-LBPRGKRZSA-N 356.444 1.481 0 50 FDAA O=C(c1cc2n(n1)CCN(Cc1ccc3nonc3c1)C2)N1CCCC1 65459448 RZOQKSPGFRJFSI-UHFFFAOYSA-N 352.398 1.671 0 50 FDAA CCOC(=O)N1CCN([C@H]2CCCN(C(=O)C(=O)CC(C)C)C2)CC1 20780055 GRQDMKPVMZUPPM-HNNXBMFYSA-N 353.463 1.367 0 50 FDAA CNS(=O)(=O)c1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)co1 331550636 IQBXBKCPSOULSE-UONOGXRCSA-N 368.386 1.275 0 50 FDAA CCc1nc(C)c(CN2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)[nH]1 65427821 PEWVUYOSHPOYPQ-UHFFFAOYSA-N 366.473 1.887 0 50 FDAA COc1cccc([C@@H]2CCCN2S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)c1 326809272 GYFIRRQLGVIYSV-ZBFHGGJFSA-N 368.455 1.874 0 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FDAA O=C1CCC2(CCN1)CCN(S(=O)(=O)NCc1ccccc1)CC2 72129544 RWHQVDNPJFUHEP-UHFFFAOYSA-N 351.472 1.403 0 50 FDAA CCc1noc(C)c1C(=O)N1CCN(Cc2cccc(C)n2)[C@@H](CCO)C1 72478111 BWJYAXBTRJQUJQ-KRWDZBQOSA-N 372.469 1.958 0 50 FDAA O=C([C@H](O)c1ccc(C(F)(F)F)cc1)N1CCc2c(nc[nH]c2=O)C1 72166969 MSIOVEZPARGNJF-CYBMUJFWSA-N 353.300 1.407 0 50 FDAA C[C@@H](C1CCN(C(=O)Cc2ccc(CO)cc2)CC1)N1CCN(C)CC1 77286143 ZNBCIUYGNRBEKB-KRWDZBQOSA-N 359.514 1.596 0 50 FDAA CN(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)c1c[nH]nc1C1CCCCC1)C2 72126381 JPHBQMZWMPUCEX-UHFFFAOYSA-N 370.457 1.805 0 50 FDAA O=C([C@H]1CCc2nn[nH]c2C1)N1CCCN(Cc2ccccc2F)CC1 367477818 UNYXMTNGAUGGAM-AWEZNQCLSA-N 357.433 1.783 0 50 FDAA Cc1cnc(C)c(N2CC[C@@H](N3CCN(c4ccccn4)CC3)[C@H](O)C2)n1 71746699 AIJZRIWOCIIMPO-QZTJIDSGSA-N 368.485 1.250 0 50 FDAA COc1c(C)cc(C(=O)N2CCN(c3ncccn3)C[C@@H]2C(=O)O)cc1C 71746670 XVFODMATLFIWDX-OAHLLOKOSA-N 370.409 1.518 0 50 FDAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)C1CCN(c2cnccn2)CC1 238021898 SZLJHBJMILMOQA-QGZVFWFLSA-N 366.421 1.731 0 50 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CN(C)C/C=C/C(=O)NCc1cn(Cc2ccc3ncccc3c2)nn1 1875376471 XZHPVUMPVNPMQM-GQCTYLIASA-N 350.426 1.609 0 50 FDAA C=CC(=O)N1CCN(C(=O)CCc2c(C)nc3ccnn3c2C)[C@@H](C)C1 1875381340 RFZOMPOLYNUSNE-ZDUSSCGKSA-N 355.442 1.524 0 50 FDAA CCO[C@@H]1C[C@](N)(C(=O)N(C)Cc2cnc(-n3cccn3)s2)C1(C)C 1875392638 LRVVKSMZRNGXTK-DYVFJYSZSA-N 363.487 1.820 0 50 FDAA COc1ccc(NC(=O)C(C)C)c(NC(=O)[C@H]2NCCc3nc[nH]c32)c1 952969318 SRSSSNZRTBHSAT-INIZCTEOSA-N 357.414 1.838 0 50 FDAA COCCN(Cc1c(C)nn(C)c1C)C(=O)c1nnc(O)c2ccccc12 952974692 VDFKULLNBOLJFR-UHFFFAOYSA-N 369.425 1.975 0 50 FDAA Cc1csc(S(=O)(=O)N(Cc2ccncc2)C[C@@H]2CCC(=O)N2)c1 952975874 UFKXJMUOBVMGHH-AWEZNQCLSA-N 365.480 1.921 0 50 FDAA O=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CC(c2cc(CO)on2)C1 886085475 IEJVLNXTEBOZMS-INIZCTEOSA-N 358.394 1.964 0 50 FDAA Cc1c([C@@H]2[C@@H](C(=O)N(C)Cc3cc[nH]n3)CC(=O)N2C2CC2)cnn1C 886039453 HVOQBZKHIDENFQ-YOEHRIQHSA-N 356.430 1.162 0 50 FDAA Cn1ccnc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cc2cc(F)ccc2[nH]1 886094933 ICAQYLLBYQTFEK-CZUORRHYSA-N 355.373 1.790 0 50 FDAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNC(=O)c1ccc2nncn2c1 888078696 MVBRRQPTWDOYOX-DYVFJYSZSA-N 354.414 1.587 0 50 FDAA CCN(C(=O)C1CCN(S(N)(=O)=O)CC1)[C@@H](C)Cc1ccsc1 187369840 NPOXDZYFFYZPKR-LBPRGKRZSA-N 359.517 1.443 0 50 FDAA C[C@H](NC(=O)c1cc2nn[nH]c2cc1F)C1(N2CCOCC2)CCCC1 753824366 KAFMHRAAMARCRB-LBPRGKRZSA-N 361.421 1.860 0 50 FDAA CN(Cc1ccoc1)C(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1529134033 MDDDITBZLUGHDD-MSOLQXFVSA-N 355.394 1.764 0 50 FDAA CC(C)C[C@@H]1CN(C(=O)CCC(=O)Nc2nncs2)CC[C@]1(C)O 211491158 YLXYVHZKJCIETK-WBMJQRKESA-N 354.476 1.902 0 50 FDAA Cc1cc(C(=O)N2CCCN(C(=O)CN3CCCCCC3)CC2)nn1C 1704301235 QFSLIHPALIFWSR-UHFFFAOYSA-N 361.490 1.279 0 50 FDAA O=C(CCn1cnc2ccccc2c1=O)N1CCC[C@]2(CCC[C@H]2O)C1 1704338086 LMVAXMJXFIOVLW-YLJYHZDGSA-N 355.438 1.940 0 50 FDAA CCC[C@@H]1COC[C@@H]2CN(C(=O)c3ccccc3-n3cncn3)CCN21 1615958404 YYFWPQNLZVVXLV-CVEARBPZSA-N 355.442 1.593 0 50 FDAA CS(=O)(=O)Cc1ccc(N2CCCN(C(=O)c3ccccn3)CC2)nc1 1772810804 MCHURMLPBNYWNE-UHFFFAOYSA-N 374.466 1.374 0 50 FDAA CN(Cc1ccc(F)cc1)c1ccc(OCC(=O)N2CC[C@@H](O)C2)nn1 11783097 HYOOJIJYXQSCAT-OAHLLOKOSA-N 360.389 1.224 0 50 FDAA CCOC(=O)CCNC(=O)N1CCC[C@H](CNC(=O)c2ccco2)C1 12594742 MCAKQMVWHREAJR-CYBMUJFWSA-N 351.403 1.384 0 50 FDAA O=C(NCc1cccc(-n2cccn2)c1)c1cn(C[C@H]2CCCO2)nn1 12761584 JOFJGJSCQIQXOL-MRXNPFEDSA-N 352.398 1.573 0 50 FDAA COc1ccccc1[C@@]1(CC(=O)N2CCC[C@H](C)C2)CC(=O)N(C)C1=O 14889474 PQCIRQGLIPLOSQ-XOBRGWDASA-N 358.438 1.970 0 50 FDAA O=C(CCc1cn[nH]c1)N1CC[C@@H](C2CCN(c3ncccn3)CC2)C1 15075420 ANVLGQPXIWRVEZ-QGZVFWFLSA-N 354.458 1.897 0 50 FDAA CN(C)S(=O)(=O)c1csc(C(=O)N[C@H](C(=O)O)c2ccccc2)c1 17070368 GBFOOWVZXPXWSC-ZDUSSCGKSA-N 368.436 1.554 0 50 FDAA Nc1nc(CN2CCN(Cc3ccccc3)CC2)nc(N2CCCCC2)n1 19944401 KODXHLKHJMMXKF-UHFFFAOYSA-N 367.501 1.762 0 50 FDAA Cc1nc(C(=O)NC2CC(F)(F)C2)nc(N2CC[C@@H](N(C)C)C2)c1C 1857529633 SZXORSIOJVLFCF-CYBMUJFWSA-N 353.417 1.761 0 50 FDAA CC[C@]12COC(=O)N1CCN(C(=O)CCS(=O)(=O)c1ccccc1)C2 1857677919 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CCNCc1ccc(OC[C@H](O)CN2CCN(CC)CC2)c(OC)c1 20599625 OKGYPAMBVLPZJK-QGZVFWFLSA-N 351.491 1.182 0 50 FDAA C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(N3CCOCC3)cc1)C2 221347645 LQWYAGMOGYJCRV-HNNXBMFYSA-N 370.453 1.819 0 50 FDAA Cc1oc(-c2cnn(C)c2)nc1C(=O)N[C@H]1CS(=O)(=O)c2ccccc21 177078019 OVMWAIHSTRJOHX-ZDUSSCGKSA-N 372.406 1.642 0 50 FDAA CCCN(C(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1)[C@@H]1CCNC1 178932494 PWEIIVXMPLAQJK-MRXNPFEDSA-N 367.515 1.768 0 50 FDAA Cc1cc(C(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)n(C)n1 177515477 HOAJFLYNKIKXAS-CQSZACIVSA-N 365.430 1.697 0 50 FDAA CCCC(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 178075191 PGRIAZGQDGUHAR-AWEZNQCLSA-N 350.440 1.746 0 50 FDAA CN(C)Cc1nnc(C2CCN(C(=O)c3cnccn3)CC2)n1C1CC1 82087215 JQFSHZXSPJUEKP-UHFFFAOYSA-N 355.446 1.484 0 50 FDAA Cc1cc(CNc2cc([C@H]3CCOC3)nc(N3CC(O)C3)n2)ccc1F 426618375 QAVMPAMIZSGESW-AWEZNQCLSA-N 358.417 2.221 0 50 FDAA CN(C)c1nc(N)nc(CNC(=O)CC[C@@H]2CCCN3CCCC[C@H]23)n1 426726944 UYAOKKMRLIFAMX-UONOGXRCSA-N 361.494 1.181 0 50 FDAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CC[C@H](CS(N)(=O)=O)C1 426477792 VXISFOIJIDPGFH-NSHDSACASA-N 353.419 1.295 0 50 FDAA Cn1ncc(C(=O)O)c1C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 20615046 QBSWXFWYCMNNFU-UHFFFAOYSA-N 362.817 1.730 0 50 FDAA CCNc1nc(C)c(C(=O)N2C[C@@H]3CC[C@H](C2)N(CCOC)C3=O)s1 91365278 ZDQYJSHNRDVQSJ-QWHCGFSZSA-N 366.487 1.593 0 50 FDAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1[nH]c(C)c(C(=O)O)c1C)C2 97334281 RFUHAICPXMLWMM-QWHCGFSZSA-N 363.414 1.039 0 50 FDAA CN1C[C@@H](c2ccccc2)CC2(CCN(Cc3nc(C(N)=O)no3)CC2)C1 91951799 NZFQGFDUDWXVPX-INIZCTEOSA-N 369.469 1.870 0 50 FDAA CCOC(=O)[C@@H]1CN(C(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)CCC1=O 96151972 NGACIUFCYVENCC-CQSZACIVSA-N 371.397 1.766 0 50 FDAA CN(CCc1cnn(C)c1)c1nc2c(c(=O)[nH]1)Cc1ccccc1OC2 95503799 ORRGCYCMNGNNKC-UHFFFAOYSA-N 351.410 1.666 0 50 FDAA CCN(Cc1cccc(OC)c1OC[C@@H](O)CN1CCOCC1)C1CC1 95497073 IZKMNJOLXSBJBE-SFHVURJKSA-N 364.486 1.751 0 50 FDAA C[C@@H](C(=O)O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 237508180 WRTYMTTYAWFIEJ-JTQLQIEISA-N 366.361 1.485 0 50 FDAA Cn1cc(C(=O)NC[C@@H](O)CN2CCCCCC2)c(=O)c2ccccc21 97732612 XNPDYSBZXPSGFD-OAHLLOKOSA-N 357.454 1.505 0 50 FDAA Cc1nc(CNC(=O)[C@H](C)N2C(=O)c3cccc4cccc2c34)cc(=O)[nH]1 23231569 JBCKAXXQCAIOSV-NSHDSACASA-N 362.389 1.897 0 50 FDAA CC(C)(C)C(=O)N1CC[C@@H](N2CCN(CCc3ccccc3)CC2)[C@H](O)C1 23359905 UZLSLWYNEATLFZ-WOJBJXKFSA-N 373.541 1.855 0 50 FDAA O=C(Cn1cc2ccccc2n1)N1CCN(Cc2ccccc2)C[C@@H](O)C1 95504663 WBSQWOFBUWSNQX-LJQANCHMSA-N 364.449 1.742 0 50 FDAA COc1cccc(-n2cc(C(=O)N3CCOC[C@H]3CC(F)F)nn2)c1 295669984 HBDSKGCISXDLLV-GFCCVEGCSA-N 352.341 1.772 0 50 FDAA CN(Cc1n[nH]c2c1CCC2)C(=O)[C@@H](c1cccnc1)N1CCOCC1 95527555 OURZDWOHRNZYJI-GOSISDBHSA-N 355.442 1.325 0 50 FDAA CCN1C[C@@H](C(=O)N2CCC3(CC2)C(=O)N(C)c2ccccc23)CC1=O 95355148 ATINCYIGDIQUDF-AWEZNQCLSA-N 355.438 1.392 0 50 FDAA CCn1nc(CO)c2c1CCN(C(=O)[C@H]1CCOc3ccccc3C1)C2 96132800 JJUXLUNAJYTHPP-HNNXBMFYSA-N 355.438 1.921 0 50 FDAA CCc1cc(C(=O)N2CCN(C)[C@]3(CCC(=O)N(CC)CC3)C2)ccn1 91859359 OLWSMRXKADQKPF-FQEVSTJZSA-N 358.486 1.803 0 50 FDAA COCc1nc(N2CCN(c3ccccc3)C(=O)C2)cc([C@H]2C[C@H](N)C2)n1 244811463 SDFWAYOJPUPNOD-SHTZXODSSA-N 367.453 1.681 0 50 FDAA COc1ccc(F)cc1[C@@H](NC(=O)CCn1nnnc1C)[C@H]1C[C@@H](O)C1 244734858 NNBMHCCRRLCXSL-PPHDSNJXSA-N 363.393 1.148 0 50 FDAA O=C(N[C@H](CO)c1ccccc1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 252492152 MEHKPDPRQZQLRK-RHSMWYFYSA-N 364.405 1.766 0 50 FDAA O=C1C[C@H](N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(=O)N1c1ccccc1 250640183 DCBZXACSCPTDER-VKJFTORMSA-N 363.417 1.600 0 50 FDAA C[C@H](C(=O)O)[C@H](NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccccc1 299747865 FKQGTHMBLXIZMV-JKOKRWQUSA-N 372.343 1.975 0 50 FDAA O=C(O)C[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)c1ccccc1 299749487 KNBQRBVOUBQNBA-DOTOQJQBSA-N 367.405 1.762 0 50 FDAA O=C(O)[C@H](CNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)Cc1ccccc1 299751004 PDAFTAQBIABUON-HOTGVXAUSA-N 358.438 1.837 0 50 FDAA COCc1nc(O)cc([C@H]2C[C@H](NC(=O)c3ccc4nccn4c3)C2)n1 253535297 QIZZUNCQJRTHLY-JOCQHMNTSA-N 353.382 1.652 0 50 FDAA O=C(NCc1cc(O)ncn1)N1CCC([C@H](O)Cc2ccccc2)CC1 534674792 AFBYQHFXSMXUHQ-QGZVFWFLSA-N 356.426 1.707 0 50 FDAA O=C(Cc1c(F)cccc1Cl)N[C@H]1C[C@H](C(=O)NCC2CC2)C[C@@H]1O 1940196387 HGLRNWXWGPSIIW-UVBJJODRSA-N 368.836 1.804 0 50 FDAA Cc1nc(-c2ccccc2)c(C(=O)NCCS(=O)(=O)N(C)C)s1 291571740 PFAIDZWTHYPMEM-UHFFFAOYSA-N 353.469 1.740 0 50 FDAA O=C(NCC(=O)N1CCCN(C(=O)c2ccncc2)CC1)c1ccccc1 75036566 HGTIQHFBUOUSCH-UHFFFAOYSA-N 366.421 1.186 0 50 FDAA O=C(NC1CCN(C2CCS(=O)(=O)CC2)CC1)c1ccc(F)cc1O 299763951 HTYKVFSKDARHHM-UHFFFAOYSA-N 370.446 1.303 0 50 FDAA NC(=O)CN1CCC(NC(=O)c2cccc(-c3ccc(O)cc3)c2)CC1 299784229 SVBWGOIDPOHHDW-UHFFFAOYSA-N 353.422 1.739 0 50 FDAA Cc1ccc(C(=O)N2CCC(NC(=O)[C@@H](N)Cc3cnc[nH]3)CC2)cc1 825168401 GTYOXLRIUYEJJL-KRWDZBQOSA-N 355.442 1.009 0 50 FDAA Cc1nc(O)[nH]c1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 1875266948 QMBXVOQMRZBWLO-UHFFFAOYSA-N 355.320 1.800 0 50 FDAA Cc1cc(N2CCN(C(=O)NCC(C)(C)C(=O)O)CC2)nc(C(C)C)n1 1875266083 HOSGLLZDGIVUGP-UHFFFAOYSA-N 363.462 1.851 0 50 FDAA Cc1nc(C(=O)NCc2ccc(F)cn2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875403002 OOYCAJBBPXKVGU-MRXNPFEDSA-N 372.448 1.698 0 50 FDAA C=CC(=O)NC[C@@H]1CN(C(=O)[C@H]2Cc3cc(C)ccc3S2)CCCO1 1875386559 UAGJYSZYLYAVEZ-NVXWUHKLSA-N 360.479 1.932 0 50 FDAA C=CC(=O)NCC(=O)N1CCN(c2ccc(Br)cc2)CC1 1875370882 HJGSXAFMPFMXHC-UHFFFAOYSA-N 352.232 1.400 0 50 FDAA Cc1cc(CC(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)on1 952872483 QMOATFHHWDIOKI-UHFFFAOYSA-N 359.382 1.402 0 50 FDAA Cc1ncnc(C)c1C(=O)N1CCC(CNC(=O)C2CCOCC2)CC1 952971215 HYTJZABEPUVXMF-UHFFFAOYSA-N 360.458 1.488 0 50 FDAA CCn1ncc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(CO)cc2)c1C 1565506164 ILIWRPWAFQIGGV-ROUUACIJSA-N 359.426 1.670 0 50 FDAA O=C(Cc1cccc(F)c1F)N[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1O 1565506291 RGGSAEHGMIWOSX-IRXDYDNUSA-N 374.387 1.899 0 50 FDAA CN(C)C(=O)CO[C@H]1COCC[C@@H]1NC(=O)c1cnc2ccccc2c1 1565512451 FGQAVKVSAGGCHL-IRXDYDNUSA-N 357.410 1.227 0 50 FDAA Cc1nn(C)cc1S(=O)(=O)N[C@H]1CCOC[C@@H]1OCc1ccccc1 1565509887 YRGNQDBYSRVORP-HOTGVXAUSA-N 365.455 1.381 0 50 FDAA Cc1cc(N2CC[C@H](N3C(=O)[C@@H]4C[C@H]5CCCC[C@H]5N4C3=O)C2=O)n(C)n1 272280170 YNLUUNIHKHHGBM-KBXIAJHMSA-N 371.441 1.429 0 50 FDAA Cc1cc(C(=O)N2CCO[C@@H](CN(C)CC(=O)O)C2)c2ccccc2n1 275846914 YCDMBUMMEHCINA-AWEZNQCLSA-N 357.410 1.401 0 50 FDAA O=C([C@@H](c1ccccc1)N1CCCCC1=O)N1CCc2n[nH]c(=O)cc2C1 170598937 WCCDUFUKFPBZJP-LJQANCHMSA-N 366.421 1.408 0 50 FDAA Cc1c(NC(=O)C2CCN(S(N)(=O)=O)CC2)sc2c1CCCC2 170646528 RCNRPOKDQGPOOB-UHFFFAOYSA-N 357.501 1.789 0 50 FDAA O=C(Cn1nccc1-c1ccncc1)N1CCC(C(=O)N2CCCC2)CC1 193615560 JCYOPPFDXIUSNO-UHFFFAOYSA-N 367.453 1.806 0 50 FDAA O=C(N1CCCC1)N1CCC(Nc2nccc(N3CCC(O)CC3)n2)CC1 1506412434 YKRMLQCPJOKWQL-UHFFFAOYSA-N 374.489 1.530 0 50 FDAA Cc1cc(=O)c(C(=O)NCC2CCN(C(=O)c3ccoc3)CC2)cn1C 1506410009 CGTKCTFCSNDTEU-UHFFFAOYSA-N 357.410 1.569 0 50 FDAA O=C(c1nc2c(s1)CCCC2)N1CCCN(C(=O)[C@H]2CCOC2)CC1 1529179362 XASHLXFQFLIELA-ZDUSSCGKSA-N 363.483 1.733 0 50 FDAA O=C(CCc1n[nH]c2c1CCCC2)N1CCCN(C(=O)[C@H]2CCOC2)CC1 1529180034 HWBYXCNZPCPYLR-HNNXBMFYSA-N 374.485 1.319 0 50 FDAA COc1ccccc1-c1noc(CCC(=O)Nc2nonc2NC(C)=O)n1 1529151771 DZZMRTGVSPDQPI-UHFFFAOYSA-N 372.341 1.658 0 50 FDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1ccc(Cl)s1 1704306013 ZDWSXUUPPJUHHT-IUCAKERBSA-N 352.865 1.038 0 50 FDAA COC(=O)[C@@H]1C[C@H](O)CCN1C(=O)c1csc(Cc2ccccc2)n1 210295552 GSSRWHSRLGTAAU-HIFRSBDPSA-N 360.435 1.872 0 50 FDAA COc1ccc(CCNC(=O)Cn2nc(-c3ccco3)ccc2=O)cc1 5387945 KDAFLWDGLBACFM-UHFFFAOYSA-N 353.378 1.871 0 50 FDAA C[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 12383464 DOYDFTGTEIUMQS-GFCCVEGCSA-N 373.434 1.516 0 50 FDAA COc1ccc(CCN2C[C@@H](C(=O)NC3CCOCC3)CCC2=O)cc1 12439999 HFNSHBUUXHEEJX-INIZCTEOSA-N 360.454 1.772 0 50 FDAA NC(=O)[C@@H]1CCCN1[C@H]1CCC(=O)N(CCOc2ccc(F)cc2)CC1 19595467 MEDNOGUCXXWSJD-RDJZCZTQSA-N 363.433 1.535 0 50 FDAA CCn1ccc(CN2C[C@@H]3COC[C@]3(C(=O)NCCc3ccccn3)C2)n1 1857705454 IKSNIQGOMPPVFT-OXQOHEQNSA-N 369.469 1.105 0 50 FDAA CN(C)C(=O)C[C@H]1CN2C[C@@H](Nc3ncnc4cc(F)ccc34)C[C@H]2CO1 1857738495 KKVFXMHQSLJSRO-KKUMJFAQSA-N 373.432 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XDPBBCWFSQYXFT-QGZVFWFLSA-N 374.418 1.700 0 50 FDAA CCOC(=O)N[C@@H](O)C(Br)(Br)Br 3122344 OKSBFSIZGGGWKO-VKHMYHEASA-N 369.835 1.889 0 50 FDAA CCn1nc(CC(C)C)cc1C(=O)N1CCC2(CC1)C[C@@H](O)[C@@H](O)CO2 2356160270 KRMBTKYATYXRSJ-SJORKVTESA-N 365.474 1.218 0 50 FDAA COc1ccc(S(=O)(=O)N(C)[C@@H]2C[C@@H]3CNC(=O)C[C@@H]3C2)cc1F 2356161212 KTSQDMPQBRLGSQ-TUAOUCFPSA-N 356.419 1.370 0 50 FDAA CN(C)c1nc2c(c(N3CCc4nc(C5CC5)nn4CC3)n1)CCCC2 2356165366 FHDRJKAHEYKREA-UHFFFAOYSA-N 353.474 1.953 0 50 FDAA O=C1N(CCc2ccccc2)CCC[C@@]12CCCN2C(=O)[C@H]1C[C@@H](O)C1 2356169567 VCHBOOAFVWVDCL-LVCYWYKZSA-N 356.466 1.984 0 50 FDAA CS(=O)(=O)NCCN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 246838342 VCLZSIUUCCUWQZ-STQMWFEESA-N 352.378 1.362 0 50 FDAA CN1CCC(N2CCN(Cc3cccc4c3OCO4)C[C@H]2CCO)CC1 104382102 FRSLWPVBPRWNKC-GOSISDBHSA-N 361.486 1.378 0 50 FDAA O=C(CCc1nnc(-c2ccsc2)o1)NC[C@H]1CN(C2CC2)CCO1 114857167 ARZXVKHEOWRRPL-AWEZNQCLSA-N 362.455 1.710 0 50 FDAA Cc1ccc(N2C[C@@H](C(=O)NCCN3CCOCC3)CC2=O)cc1Cl 20661053 MHNBDKNVZBOEJR-AWEZNQCLSA-N 365.861 1.450 0 50 FDAA CC(C)(C)OC(=O)N1CSC[C@@H]1C(O)=C1C(=O)OC(C)(C)OC1=O 101124340 POFYWGUEHSVHPD-MRVPVSSYSA-N 359.400 1.945 0 50 FDAA CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(NC(C)=O)c2)C1 10302635 AQIIEVKFWPIEBQ-ZDUSSCGKSA-N 353.444 1.645 0 50 FDAA O=C(NCCc1cc(=O)[nH]cn1)c1ccc(-c2noc(C3CC3)n2)cc1 23582093 OITIKHZIDJBUNF-UHFFFAOYSA-N 351.366 1.670 0 50 FDAA COC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1nc2c(cc1=O)CCCC2 170625495 SXSBGSSBBYVHSL-KRWDZBQOSA-N 369.421 1.023 0 50 FDAA Cc1ccc(C2(O)CCN(c3nccc(N4CCC[C@H](O)C4)n3)CC2)nc1 67847666 FNFZBKZMOQBNNL-INIZCTEOSA-N 369.469 1.629 0 50 FDAA O=S(=O)(c1ccccc1)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 67601814 ZSDDYUJRLIBQJZ-UHFFFAOYSA-N 370.438 1.173 0 50 FDAA Cc1ccc(CN2CCC3(CC2)C(=O)NCCCN3C)n1-c1cccnc1 67692405 HZQDLPYFIWBKPV-UHFFFAOYSA-N 367.497 1.967 0 50 FDAA CC(C)c1cc(C(=O)NCc2cccnc2N2CCN(C)CC2)nc(N)n1 67967118 FNIXOGBLELRIRY-UHFFFAOYSA-N 369.473 1.259 0 50 FDAA O=C(NN1CCOCC1)c1ccn(COc2cccc(C(F)(F)F)c2)n1 2794482 BHUJHFVTHUGKHS-UHFFFAOYSA-N 370.331 1.915 0 50 FDAA CS(=O)(=O)c1cc(C(=O)N2CC[C@H](CN)C2)c(Cl)cc1Cl 328596293 CTGOUEOJFSRBLN-MRVPVSSYSA-N 351.255 1.818 0 50 FDAA Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccsc2)CC1 328691126 DSLYVHBVXNKYME-UHFFFAOYSA-N 374.470 1.075 0 50 FDAA COC(=O)CCn1cc(CN2CCC(c3cc(O)nc(C)n3)CC2)cn1 72119484 TTZAUGDZBYKOAF-UHFFFAOYSA-N 359.430 1.630 0 50 FDAA CCn1cnnc1[C@@H]1CN(C(=O)c2cccc(-n3ccnc3)c2)CCO1 364702952 BDSCDTRYJFANQT-INIZCTEOSA-N 352.398 1.697 0 50 FDAA CCc1[nH]c2c(CNC(=O)Cc3cc(=O)[nH]nc3O)cc(C)cc2c1C 77376055 STIBGKVLCMKOMA-UHFFFAOYSA-N 354.410 1.995 0 50 FDAA O=C(Nc1ccn(-c2ccccc2)n1)N1CCN(C[C@H]2CCOC2)CC1 330265475 ZHSNGDYZKXYPOV-MRXNPFEDSA-N 355.442 2.058 0 50 FDAA COc1cccc(C(=O)[C@@H]2CCCN(c3cc(NCCO)ncn3)C2)c1 71524380 FZRVPYCWVPBBHP-OAHLLOKOSA-N 356.426 1.989 0 50 FDAA CC(=O)N1CCc2c(nc(-c3ccncc3)nc2NCCn2ccnc2)C1 71747970 VCYXBNWPVGTNOF-UHFFFAOYSA-N 363.425 1.752 0 50 FDAA CN(C)CCN1C[C@]2(CCCN(c3ncnc4c3CCC4)C2)CCC1=O 72423094 OAZWWDFEDFLWAE-FQEVSTJZSA-N 357.502 1.736 0 50 FDAA NS(=O)(=O)c1ccsc1C(=O)N[C@H]1CC(=O)Nc2ccccc21 215464717 CQGRGZPGHAUKAL-JTQLQIEISA-N 351.409 1.209 0 50 FDAA Cc1n[nH]c(CC(=O)N2CCC[C@@]3(CCC(=O)N(C4CCCC4)C3)C2)n1 77423779 KNAPTITUCYFGPC-LJQANCHMSA-N 359.474 1.829 0 50 FDAA C[C@H](CN(C)c1nc(-c2cccnc2)nc2c1cnn2C)N1CCOCC1 72134353 JVYFANIRXYNXGV-CQSZACIVSA-N 367.457 1.582 0 50 FDAA Cc1cc(Cl)ccc1OCCN1CCN(C[C@@]2(O)CCCNC2)CC1 72431540 PQZVMPGBSUIFDC-LJQANCHMSA-N 367.921 1.759 0 50 FDAA O=C(O)[C@@H]1CC2(CCN(C(=O)C3CC3)CC2)CN1C(=O)CCn1cccc1 72409543 RGGFNHSKBQZVJB-INIZCTEOSA-N 373.453 1.583 0 50 FDAA CSc1ccc(CC(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)cc1 219650994 SYTUMEOBMCLEHU-UHFFFAOYSA-N 358.467 1.394 0 50 FDAA COc1ccc(N2C[C@H](C)N(C(=O)c3ccc4[nH]nnc4c3)CC2=O)cc1 77406494 ROHBDARCILXSKN-LBPRGKRZSA-N 365.393 1.844 0 50 FDAA CCc1nc(-c2ccc(C(=O)N[C@@H]3CCC(=O)NC34CCC4)cc2)n[nH]1 283736424 WYEKEGSFTOQJCQ-CQSZACIVSA-N 353.426 1.965 0 50 FDAA CNCCN1C(=O)CC[C@H]2CN(C(=O)NCC3CCCCC3)CC[C@H]21 72421664 FIAJHEOXLBFRRH-DLBZAZTESA-N 350.507 1.809 0 50 FDAA CC(C)Oc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCC(=O)N(C)C)cc1 223541987 JMWHMBNQEZMUML-IAGOWNOFSA-N 364.442 1.466 0 50 FDAA COCc1ccc(C(=O)N2CCC[C@@H](N(CC(=O)O)C(C)=O)CC2)cc1 461485072 DFMYZPSDBAPAOR-QGZVFWFLSA-N 362.426 1.761 0 50 FDAA Cn1cc([C@@H](NC(=O)c2ccc(-n3ccnc3)cc2)C2CC(O)C2)cn1 222830088 WLVBZEGPNQBCAO-UYJHFMRCSA-N 351.410 1.848 0 50 FDAA NC(=O)c1ccc(O[C@@H]2CCOC[C@H]2NC(=O)c2ccc(Cl)o2)cc1 223492988 DRQCGLYPQBCLPH-CHWSQXEVSA-N 364.785 1.998 0 50 FDAA CNC(=O)c1ccc(CN2CCCc3ccc(S(N)(=O)=O)cc32)cc1 176993090 OKIUQNUZGDVSFG-UHFFFAOYSA-N 359.451 1.646 0 50 FDAA CN(Cc1n[nH]c2c1CCCC2)c1cc([C@@H]2CCOC2)nc(NCCO)n1 426502802 AJHIGFYGNPWCOZ-CYBMUJFWSA-N 372.473 1.623 0 50 FDAA CN(C)[C@H]1CCN(CC(=O)NCCCc2nc3cc(Cl)ccc3[nH]2)C1 223643043 CBXWBAUNJRLCSB-AWEZNQCLSA-N 363.893 1.901 0 50 FDAA O=C(NCCN1CCC[C@@H](CO)C1)N1CCC(Cc2cccnc2)CC1 426473560 LDEZAWCGPOYQGN-LJQANCHMSA-N 360.502 1.750 0 50 FDAA COc1ccc(C(=O)N2CC[C@@H](n3nc(C)cc3C)C2)cc1OCCN 426737374 ISYNVIOJIMEFIN-MRXNPFEDSA-N 358.442 1.933 0 50 FDAA CC(C)n1nc(Cn2cncn2)nc1CN1CCOc2ccccc2C1 96163061 BIAGSVMIOVCWAW-UHFFFAOYSA-N 353.430 1.893 0 50 FDAA COc1ccccc1CCN1CCC[C@H](CN(C)S(=O)(=O)N(C)C)C1 95509092 XDVNYFWPLUFWCZ-MRXNPFEDSA-N 369.531 1.688 0 50 FDAA Cc1c(CN2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)cnn1C 91321386 IVHRFZMBAQIDDC-UHFFFAOYSA-N 368.485 1.738 0 50 FDAA CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](Cc1ccccc1)NC(N)=O 268027135 MCOALGZGGDUURO-UONOGXRCSA-N 356.430 1.071 0 50 FDAA Cc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)CNC(=O)N(C)C)C1 95516614 WOJDTMFKKRQIGU-SFHVURJKSA-N 374.529 1.979 0 50 FDAA COc1cccc([C@@H]2CN(C(=O)c3[nH]nc4c3CCC4)C[C@H]2C(=O)O)c1 91746600 XEIQFKTWVFEANE-LSDHHAIUSA-N 355.394 1.847 0 50 FDAA COc1nccnc1N1CCC[C@H](c2nnc(Cn3ccnc3)n2C)C1 91306022 UMIHTXSCJGVYGH-ZDUSSCGKSA-N 354.418 1.243 0 50 FDAA O=C(O)[C@H]1Cc2nc[nH]c2CN1C(=O)C1CCN(Cc2ccco2)CC1 97522421 LNRORAOZEHAURY-MRXNPFEDSA-N 358.398 1.253 0 50 FDAA Cc1nc(CN2C[C@H]3CN(C4CCOCC4)C[C@@]3(C(=O)O)C2)n(C)c1C 96132867 YDZZLWLPBDQOIF-KXBFYZLASA-N 362.474 1.034 0 50 FDAA Cc1ccc([C@@H](CNC(=O)c2nn(C)cc2Cl)N2CCOCC2)o1 97295215 REHUZQLMBWYYEC-CYBMUJFWSA-N 352.822 1.778 0 50 FDAA O=C(Cn1nnnc1CN1CCCCCC1)N[C@@H]1COC2(CCCC2)C1 95496489 FZZFNSZHOBTSDJ-HNNXBMFYSA-N 362.478 1.267 0 50 FDAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2ccon2)CN1C/C=C/c1ccccc1 91915222 NHBWFYXJJYXTHG-OTTBVJJXSA-N 368.437 1.697 0 50 FDAA CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2[C@H]2CCCC2=O)c1 331801261 IPKGQFYCYKCYHV-CVEARBPZSA-N 364.467 1.911 0 50 FDAA O=C(NCc1nncn1C1CCCCC1)c1cnn2cc(CCO)cnc12 243885651 ABFBAKHIDHYHMH-UHFFFAOYSA-N 369.429 1.291 0 50 FDAA CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2ccc(-c3cc[nH]n3)cc2)C1 244716151 LJJVBNPDYILDSX-SHTZXODSSA-N 366.425 1.856 0 50 FDAA O=C1CNC(=O)N1CCN1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 181286444 FFPUWPNVVYZXAE-AWEZNQCLSA-N 354.414 1.203 0 50 FDAA Cc1cnccc1N1CCCN(c2cc([C@H]3C[C@@H](O)C3)nc(N)n2)CC1 244795451 RGRRGUOTRAUQEW-GASCZTMLSA-N 354.458 1.717 0 50 FDAA O=C(c1ccc(-n2cnnn2)cc1)N1CCCO[C@@H](CN2CCCCC2)C1 252485486 GWLJBDCLRXJIHB-SFHVURJKSA-N 370.457 1.379 0 50 FDAA C[C@H](CN(Cc1ccccc1)C(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)O 299753146 WZRSMBOTKWRAGK-GFCCVEGCSA-N 361.398 1.066 0 50 FDAA COc1ccc(CNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1C(=O)O 299749839 LVYVKLAMBPLBQM-SJKOYZFVSA-N 364.423 1.464 0 50 FDAA CN(CC(=O)NC1CCN(Cc2cccc(O)c2)CC1)Cc1ccccn1 299780831 CVBHZUFPUNVMLE-UHFFFAOYSA-N 368.481 2.000 0 50 FDAA Cc1csc(SCC(=O)N2CC[C@H]3[C@H](C2)OCc2cnnn23)n1 299762775 XWLAJICEFJMVCV-RYUDHWBXSA-N 351.457 1.508 0 50 FDAA O=C(COC[C@H]1CCCO1)NCCn1nc(-c2ccccc2)ccc1=O 299758486 NVCFZPSFJMSIJB-MRXNPFEDSA-N 357.410 1.222 0 50 FDAA CCCCN1CCn2nc(CNC(=O)c3ccc(C)n(CC)c3=O)cc2C1 299779579 USIWTVDXXSBDLS-UHFFFAOYSA-N 371.485 1.919 0 50 FDAA COc1cc2c(cc1NC(=O)N1Cc3nc(C)n(C)c(=O)c3C1)OCO2 299766603 DGROPKAXFWRVEA-UHFFFAOYSA-N 358.354 1.374 0 50 FDAA O=C(CN1Cc2ccccc2C1)N1CCC(N2CCC[C@@H](CO)C2)CC1 299766498 DOXOHCRBARBOKX-QGZVFWFLSA-N 357.498 1.698 0 50 FDAA CN1CCN(c2cccc(NC(=O)N3C[C@@H]4CC[C@H](C3)C(=O)N4C)c2)C1=O 299790801 CCJHJKIYQZLHQS-CJNGLKHVSA-N 371.441 1.643 0 50 FDAA CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccn(-c3ccc(Cl)cc3)n2)C1 270394566 IPJRQGZFVZETJQ-GFCCVEGCSA-N 368.846 1.289 0 50 FDAA COc1ncc(C(=O)N2CCC(c3nnc4n3CCCC4)CC2)c(C)n1 1875293527 SZXQYNMXGWBFNZ-UHFFFAOYSA-N 356.430 1.741 0 50 FDAA C[C@H](NC(=O)c1cnn(C)c1Cc1ccccc1)c1cn(CCO)nn1 1875358094 JBDKPXAZVOKGIV-ZDUSSCGKSA-N 354.414 1.086 0 50 FDAA CO[C@@H]1C[C@H](CNC(=O)Cc2ccccc2C)N(c2cc(N)ncn2)C1 952886548 BVSQSVYAAHSOPT-HZPDHXFCSA-N 355.442 1.320 0 50 FDAA O=C(c1ccc2ncnn2c1)N1C[C@H]2CC[C@H]1CN2C(=O)[C@@H]1CC12CC2 1875406326 BGQKIDYTYJVAEC-ZNMIVQPWSA-N 351.410 1.345 0 50 FDAA NC(=O)CN1CCC[C@@H](C(=O)N2CCC3(CCc4ccccc43)CC2)C1 952969039 HNCKMMHDLOQMOD-QGZVFWFLSA-N 355.482 1.690 0 50 FDAA OCc1cc(C2CN(C[C@H](O)COCc3ccccc3Cl)C2)no1 886079397 LGHHUGVRRWNBNS-AWEZNQCLSA-N 352.818 1.797 0 50 FDAA COc1ccncc1CNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1nccn1C 886078532 ZZLUYJXHTUYBPS-BBRMVZONSA-N 357.414 1.050 0 50 FDAA Cn1nc(C[C@H]2CCCC[C@H]2NCc2ccc3nc[nH]c3c2)n(C)c1=O 888098580 IMNDIKITSFTTRO-HUUCEWRRSA-N 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CCC(CC)N1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2ncc[nH]2)[C@@H]3C1=O 77452677 QLKBUEKAHHROCB-AMVTXUCVSA-N 358.442 1.339 0 50 FDAA CNC(=O)c1ccn([C@@H]2CCCN(C(=O)c3cnccc3N(C)C)C2)n1 372848859 ULXGREOBOHGZDO-CYBMUJFWSA-N 356.430 1.181 0 50 FDAA Cc1cc(C)n(C)c(=O)c1C(=O)N1CCOC[C@@H]1CC(=O)NC1CC=CC1 72144178 GXKDRLOQNCXNKR-INIZCTEOSA-N 373.453 1.068 0 50 FDAA CCCN(Cc1ccncc1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccoc1 72166496 YKNMBOXAUPMHNS-SFHVURJKSA-N 370.453 1.804 0 50 FDAA O=S1(=O)C[C@@H]2[C@H](C1)N(C/C=C/c1ccco1)CCN2Cc1ccncc1 72423304 VQIHGKUKDBKBOY-IUEAJQDCSA-N 373.478 1.671 0 50 FDAA COc1ccc2[nH]cc(CC(=O)N3CCC[C@@H](NC(=O)N(C)C)C3)c2c1 456915641 VZPNOLVVNAYTET-CQSZACIVSA-N 358.442 1.981 0 50 FDAA CCCN1C[C@@H](Nc2nc(-c3ccncc3)nc3c2cnn3C)CC1=O 72140126 RYIQRZVDBUGAOZ-ZDUSSCGKSA-N 351.414 1.848 0 50 FDAA COc1ccc2[nH]c(CCN(C)C(=O)CSc3nc(C)n[nH]3)nc2c1 222394919 BZOYQNKIXHXXDZ-UHFFFAOYSA-N 360.443 1.791 0 50 FDAA CCN(C(C)=O)c1nc(CN2CCN(c3cnn(C)c3)C(=O)C2)cs1 177451463 QFNFYZUOFKQLCN-UHFFFAOYSA-N 362.459 1.098 0 50 FDAA O=C(O)CO[C@@H]1COCC[C@H]1NC(=O)c1ccc2cccc(Cl)c2n1 223702121 IPOIRVNWQVVGIG-TZMCWYRMSA-N 364.785 1.877 0 50 FDAA CC(C)c1nc2n(n1)CCC[C@@H]2NS(=O)(=O)N1C[C@@H](C)OC[C@H]1C 246180490 GVKILFLPQJKUNF-UPJWGTAASA-N 357.480 1.180 0 50 FDAA COC(=O)Cc1ccc(F)c(-c2cccc(C(=O)N3CCNC(=O)C3)c2)c1 426506565 GRTAKJSUGUUVTL-UHFFFAOYSA-N 370.380 1.780 0 50 FDAA C[C@@H](C(=O)N1CCC(n2cnnc2)CC1)n1cnc2ccccc2c1=O 426589061 OORYKPDPOSZQSI-ZDUSSCGKSA-N 352.398 1.413 0 50 FDAA CCc1cc(C(=O)OC)c(NC(=S)NCCN2CCOCC2)s1 20191791 QNEJDRGAUQSPGY-UHFFFAOYSA-N 357.501 1.716 0 50 FDAA O=C1CC[C@@]2(CCCN(C(=O)c3cscn3)C2)CN1CCc1c[nH]cn1 82107274 OXAMFAIWGYIMFG-SFHVURJKSA-N 373.482 1.954 0 50 FDAA O=C(NCCNC(=O)c1ccc2c(c1)ncn2CCO)c1ccc(F)cc1 97505265 ZKZIOIHPLBCVFY-UHFFFAOYSA-N 370.384 1.328 0 50 FDAA Cc1cc(O)n2nc(CC(=O)NC[C@H]3COc4ccccc4C3)nc2n1 95521601 QECUIEUUPRUPFA-LBPRGKRZSA-N 353.382 1.048 0 50 FDAA Cc1cc2nc(C(=O)N3CCNC(=O)[C@H]3Cc3ccccc3)cc(C)n2n1 97475501 FOUQUXAKVCDEMQ-QGZVFWFLSA-N 363.421 1.529 0 50 FDAA CN(C[C@H]1Cc2ccccc2CN1C)C(=O)NCCCN1CCCC1=O 426633790 FOBUGZIVXLXVAH-GOSISDBHSA-N 358.486 1.697 0 50 FDAA CCc1noc([C@@H]2CCCN2C(=O)Cn2ncc3ccccc3c2=O)n1 95504169 GIWCRVHGIKXCAX-AWEZNQCLSA-N 353.382 1.706 0 50 FDAA COc1c[nH]c(CN2C[C@@H]3CN(C4CCCC4)C[C@]3(C(=O)O)C2)cc1=O 96180696 FGVCRXAQGPKJJQ-BFUOFWGJSA-N 361.442 1.145 0 50 FDAA Cc1nnc(CN2CCC[C@H](c3nnc(Cn4ccnc4C)n3C)C2)o1 95384990 UNTDQIOUNZNZIM-AWEZNQCLSA-N 356.434 1.439 0 50 FDAA O=C1CCC2(CCN(C(=O)c3cc(F)ccc3F)CC2)CN1CCO 91951505 ZNLZHPYTGZGGMG-UHFFFAOYSA-N 352.381 1.802 0 50 FDAA COCCN(Cc1cnn(C)c1)C(=O)[C@H]1CCC(=O)N(C2CCCC2)C1 91860209 MUITYAMVKKGLHF-INIZCTEOSA-N 362.474 1.576 0 50 FDAA CN(C)[C@@H](C(=O)N1CCN(CCN2CCCC2)CC1)c1ccc(F)cc1 91452451 LAPSRJPRIRHINZ-LJQANCHMSA-N 362.493 1.668 0 50 FDAA O=C(Cn1nnc2ccccc21)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 180820483 VZRADUHJGMKKJF-NSHDSACASA-N 371.347 1.631 0 50 FDAA CCn1ncc(CN2CCC(c3nnc(Cn4ccnc4)n3C)CC2)c1C 91616460 XITNXIMDKZOTLM-UHFFFAOYSA-N 368.489 1.964 0 50 FDAA 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1.650 0 50 FDAA COc1cc(CN2CC[C@@H]3OCc4cnnn4[C@H]3C2)cc(OC)c1OC 299780906 AHPJNDPRGLSLPN-GJZGRUSLSA-N 360.414 1.650 0 50 FDAA CC1(C)NC(=O)N(CC(=O)NCCc2csc(-c3cccnc3)n2)C1=O 299773117 CYKQPFVTEQAIQB-UHFFFAOYSA-N 373.438 1.194 0 50 FDAA Cc1ccc(CN2CCN(C(=O)c3cnn4ccn(C)c34)CC2=O)cc1C 299771982 YVVAMIKLPYFSDM-UHFFFAOYSA-N 365.437 1.774 0 50 FDAA Cc1cc(C)n(Cc2ccc(NC(=O)NCCc3n[nH]c(=O)n3C)cc2)n1 299793540 HUWIOFNTNHUJJR-UHFFFAOYSA-N 369.429 1.334 0 50 FDAA CNc1nc([C@@H]2CCOC2)cc(N2CCC(O)(c3cccnc3)CC2)n1 299756248 FHINSFVOVBAVLY-CQSZACIVSA-N 355.442 1.905 0 50 FDAA CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H](Cc1ccccc1)NC(N)=O 268027132 MCOALGZGGDUURO-KGLIPLIRSA-N 356.430 1.071 0 50 FDAA COc1ccccc1OCCCN1CCC(c2nnc(CO)n2C)CC1 670461402 UTTCZEPDGDSFPY-UHFFFAOYSA-N 360.458 1.965 0 50 FDAA CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@](C)(C(=O)O)C2)c1 269047326 SVUCZFDNYDBWKX-CQSZACIVSA-N 360.819 1.185 0 50 FDAA O=C(Cc1ccc2c(c1)CCO2)N1CCC(n2[nH]c(C3CC3)nc2=O)CC1 1875308639 PRFNQRLHHARTMK-UHFFFAOYSA-N 368.437 1.790 0 50 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Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCC[C@@H](Cn2ccnn2)C1 128658204 JACLZJYNICMBSN-XJKSGUPXSA-N 359.478 1.681 0 50 FDAA CSc1cccc(CN2C[C@H]3CN(S(C)(=O)=O)C[C@@]3(C(=O)O)C2)c1 247513432 JCFRZIGYCDJSOH-BBRMVZONSA-N 370.496 1.187 0 50 FDAA COc1ccccc1-n1cc(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)cn1 262658774 LCTDAIHCUXIBLL-CQSZACIVSA-N 365.411 1.509 0 50 FDAA Cc1nn(C)cc1CC(=O)N1CCC[C@@](O)(Cc2nc(C3CC3)no2)C1 818498948 VQSQTJZGXSALJL-GOSISDBHSA-N 359.430 1.128 0 50 FDAA CN1C(=O)N(C)[C@@]2(c3ccccc3)NC(=S)NN[C@]12c1ccccc1 4546064 DLIFSPJMDLQXEX-QZTJIDSGSA-N 353.451 1.672 0 50 FDAA CC1(C)CO[C@@H]1CNC(=O)c1cc2c(cc1Br)NC(=O)CO2 2325786657 NFGNFELBFNJHGR-GFCCVEGCSA-N 369.215 1.935 0 50 FDAA CN(C[C@@H]1CCNC1)c1cncc(-c2cc3c(cc2CO)OCCO3)n1 2325796710 GIXTVYIWZRPHSM-CYBMUJFWSA-N 356.426 1.453 0 50 FDAA CC1(C)O[C@@]2(CCCN(S(=O)(=O)[C@H]3CC34CCCCC4)C2)NC1=O 2325804193 ZEHAHPAJXHKLSO-SUMWQHHRSA-N 356.488 1.756 0 50 FDAA Cc1[nH]nc(C(=O)NCCN(C(=O)[C@H](C)C2(O)CCC2)C2CC2)c1Cl 2325829756 RHINYUJTPZSEOX-JTQLQIEISA-N 368.865 1.643 0 50 FDAA CC1([C@@H]2CCCN(C3=CC(=O)N(Cc4ccccc4)C3=O)C2)OCCO1 2325862877 MCIYFMRJCKBLDI-MRXNPFEDSA-N 356.422 1.914 0 50 FDAA NC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)NCc3ccccc3)cc2)C1 794284 MUGYNAFXKFFOAR-OAHLLOKOSA-N 367.405 1.220 0 50 FDAA CC(C)Cc1cc(C(=O)N2CCC[C@]3(CCc4c[nH]c(=N)nc43)C2)n(C)n1 2356143950 DGHSUPCTSXKZLP-FQEVSTJZSA-N 368.485 1.941 0 50 FDAA C[C@]1(O)CC2(CCN(C(=O)c3ccc(N4CCCC4)cc3)CC2)OC[C@@H]1O 2356144127 KFEMBPYKMJMWQM-ICSRJNTNSA-N 374.481 1.794 0 50 FDAA CCC[C@@]1(C(=O)O)CN(C(=O)c2ccc(OC)cc2OC)CC[C@H]1O 2356145195 FTWAFQCRMQVMEO-CRAIPNDOSA-N 351.399 1.782 0 50 FDAA NC(=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)O 4769720 UTUPXKNHKQWEAT-ZIAGYGMSSA-N 357.318 1.008 0 50 FDAA CCc1nnc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)s1 7348038 GCCYFGQDPFTINR-UHFFFAOYSA-N 354.457 1.668 0 50 FDAA CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1ccc2nc(S)[nH]c2c1 860666277 QQALDAPXRHCNOF-LLVKDONJSA-N 352.416 1.676 0 50 FDAA Cc1cnc2c(C(=O)N3CCCN(C)C4(CCN(C)CC4)C3)cnn2c1 67605333 ATTOPCJYCGGSBK-UHFFFAOYSA-N 356.474 1.280 0 50 FDAA CNC(=O)CNc1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1 67690836 YDMZIAXHOHHQLN-UHFFFAOYSA-N 369.425 1.318 0 50 FDAA O=C(Nc1ccc2c(c1)OCO2)N1CCC(Cn2cc(CCO)nn2)CC1 63883651 UAOYXZKEAMDKMY-UHFFFAOYSA-N 373.413 1.486 0 50 FDAA Cc1ccsc1S(=O)(=O)N1CCC(n2cc(CCO)nn2)CC1 23478564 RBIMPMQBMNDJBF-UHFFFAOYSA-N 356.473 1.209 0 50 FDAA CNC(=O)c1n[nH]c2c1[C@H](c1nccn1-c1ccc(OC)cc1)CC(=O)N2 65372515 CVARMLXJRHSQBG-GFCCVEGCSA-N 366.381 1.438 0 50 FDAA CN(Cc1ncc[nH]1)C(=O)c1cc(COc2ccc3c(c2)OCO3)[nH]n1 67821057 RNYLGNJCIAPWCY-UHFFFAOYSA-N 355.354 1.713 0 50 FDAA CN(C)c1cnn(CC(=O)Nc2ccccc2OC[C@@H]2CCCO2)c(=O)c1 20774029 GKJPYZABHIQCAR-HNNXBMFYSA-N 372.425 1.506 0 50 FDAA O=C(CN1CC[C@H]2CCCC[C@H]2C1)NN1C(=O)NC2(CCCCC2)C1=O 252444043 VWHBBNYZHLFHNZ-CABCVRRESA-N 362.474 1.784 0 50 FDAA CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@@H](n3ccnc3CC)C1)CC2 172467349 OCBKBIZIZOUWPP-LSDHHAIUSA-N 371.489 1.961 0 50 FDAA CSCc1nc(CNC(=O)[C@@H]2CCCN2C2CCNCC2)cs1 216044834 AHIQZMBMDJQAPB-AWEZNQCLSA-N 354.545 1.839 0 50 FDAA CN(Cc1n[nH]c2c1CCCC2)C(=O)c1ccc(-n2cnnn2)cc1O 216005446 OSPKLTSLZNPYLG-UHFFFAOYSA-N 353.386 1.242 0 50 FDAA Cc1cn2nc(N3CCC[C@H](N(C)Cc4nccc(N)n4)CC3)sc2n1 328655783 YRFVCFBIJRSFMR-ZDUSSCGKSA-N 372.502 1.962 0 50 FDAA CCN(Cc1noc(C)n1)[C@H]1CCCN(C(=O)c2cnc(C)cn2)CC1 328631575 KRLJNMFOFXYKJK-HNNXBMFYSA-N 358.446 1.993 0 50 FDAA CCCN1CC2(CCN(C)CC2)C[C@H]1C(=O)NCCc1csc(N)n1 72410357 CEUFCSQATREXGL-HNNXBMFYSA-N 365.547 1.580 0 50 FDAA O=C(c1cccc(-c2ncc[nH]2)c1)N1CCN(CCN2CCOCC2)CC1 216381695 YNXKFWCYNQODNJ-UHFFFAOYSA-N 369.469 1.167 0 50 FDAA O=C(NCc1ccccc1CN1CCC(O)CC1)[C@@H]1CCCC12OCCO2 253404612 NXUOWDFRCFTSTG-IBGZPJMESA-N 374.481 1.803 0 50 FDAA Cn1cc(N2CCC[C@H](NC(=O)c3ccc4c(c3)NC(=O)CO4)C2)cn1 154154060 DXAVJUHREZBIJH-ZDUSSCGKSA-N 355.398 1.150 0 50 FDAA CCn1ncnc1CN1CCC(C(=O)O)(n2cnc3ccccc32)CC1 72477716 VTGJLIIZMVLLBD-UHFFFAOYSA-N 354.414 1.724 0 50 FDAA O=C([C@@H]1C[C@@]12CCOC2)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 329669583 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367.453 1.626 0 50 FDAA COc1ccc(N2CCN(C(=O)CCc3nncn3C)[C@@H](C)C2=O)cc1 92065679 CPWLNZCEKDUFMR-ZDUSSCGKSA-N 357.414 1.020 0 50 FDAA Cc1cc(C(=O)N2CC[C@@]3(O)CCN(C(=O)C4CCCC4)C[C@H]3C2)on1 92046189 YCAZSZDSGCOUIW-KXBFYZLASA-N 361.442 1.599 0 50 FDAA Cc1nc2ncnn2c(C)c1CCC(=O)N(C)Cc1nncn1C(C)C 243885909 ADVFQTLFPNPLOR-UHFFFAOYSA-N 356.434 1.505 0 50 FDAA Cc1nc(N(C)C)nc(N[C@@H]2CCN(Cc3ccccn3)C[C@H]2O)c1C 243957160 CGXSPRHKYHDAME-IAGOWNOFSA-N 356.474 1.602 0 50 FDAA CO[C@H](C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1)C1CC1 298657467 SQXUUDABCGCXLE-KGLIPLIRSA-N 367.243 1.874 0 50 FDAA Cc1cccc(CCNC(=O)C2CCN(C(=O)c3ccncc3)CC2)n1 252485177 GOSXZRXNAQBICY-UHFFFAOYSA-N 352.438 1.996 0 50 FDAA CN(C)CCN(CC(=O)O)C(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 299753092 WUSYZSAPHPCOFM-LBPRGKRZSA-N 367.833 1.168 0 50 FDAA CS(=O)(=O)N1CCC(C(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)CC1 299744309 ODQGRPOVUZGFID-CQSZACIVSA-N 372.418 1.129 0 50 FDAA O=C(O)CN(C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2)C1CCOCC1 299748486 HFBLARCTQLXSKJ-GJZGRUSLSA-N 361.394 1.654 0 50 FDAA CN(CCc1ccccn1)C(=O)NC1CCN(CC(=O)NC2CC2)CC1 534585576 UTPDEROYSPUHJM-UHFFFAOYSA-N 359.474 1.009 0 50 FDAA CCn1c(C)cc(C)c(C(=O)NC[C@H]2CCCN(c3ncccn3)C2)c1=O 299797452 OXQDTJWIGZDAPT-MRXNPFEDSA-N 369.469 1.921 0 50 FDAA CC1=C(C(=O)N[C@H]2CC(=O)N(c3ccc(F)cc3)C2)SC2=NCCN21 299777523 DRFMPFIZJWSSCX-LBPRGKRZSA-N 360.414 1.697 0 50 FDAA CCc1noc(-c2ccc(NC(=O)NCCS(=O)(=O)N(C)C)cc2)n1 299785806 NTRZTZGAPOSLMV-UHFFFAOYSA-N 367.431 1.312 0 50 FDAA O=C(Nc1ccc2cn[nH]c2c1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 299801605 ZGVAHQNKWAVJKH-CQSZACIVSA-N 357.414 1.666 0 50 FDAA CCc1ncc(C(=O)NCc2cc3n(n2)CCN(C(=O)C2CCC2)C3)cn1 299794153 JIMARUKOEBPHLX-UHFFFAOYSA-N 368.441 1.308 0 50 FDAA COC(=O)c1c(-c2cccc(C(=O)N3CCC[C@H]3CO)c2)c(C)nn1C 299783896 VJTIWKWVGUMQGW-HNNXBMFYSA-N 357.410 1.779 0 50 FDAA CC(C)CC(=O)N1CCC(NC(=O)[C@H]2CSC(C)(C)C(=O)N2)CC1 820906104 SSBMEWIXVVXHFT-CYBMUJFWSA-N 355.504 1.150 0 50 FDAA CCN1CCC[C@H](NC(=O)N2CCN(Cc3ccccc3F)C(=O)C2)C1 584894854 MZVANUSURUNZSD-INIZCTEOSA-N 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CCN1CCN(CC(=O)N2C[C@H](c3ccccc3C)[C@@H](C(=O)O)C2)CC1 219566019 YYPCTJWLHGKNBL-MSOLQXFVSA-N 359.470 1.259 0 50 FDAA CO[C@H]1CN(c2nccc(N3CCC(O)CC3)n2)C[C@H]1Cc1cc(C)no1 1704307326 WIWHZYQGLVHCPY-PBHICJAKSA-N 373.457 1.428 0 50 FDAA Cc1nnc(N2C[C@@H]3CN(Cc4coc(C(C)C)n4)C[C@]3(CO)C2)s1 1772806610 YZQVZOLTXFNKRQ-SUMWQHHRSA-N 363.487 1.889 0 50 FDAA Cc1nnc(SCC(=O)N[C@@H]2CC(=O)N(CC3CCCCC3)C2)o1 11840858 JLNHBYAUTFXQCU-CYBMUJFWSA-N 352.460 1.768 0 50 FDAA COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CNC(C)C)c1 12386220 AEKIPJBDLGDRMA-KRWDZBQOSA-N 352.475 1.390 0 50 FDAA CCN1CCN(C2(C(=O)NCc3ccncc3)Cc3ccccc3C2)CC1 19867513 HLURUHXVSXEHFW-UHFFFAOYSA-N 364.493 1.873 0 50 FDAA COC(=O)[C@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@@H]1c1ccc(Cl)cc1 1857530361 YESCAENSHVIPFK-YUELXQCFSA-N 364.829 1.581 0 50 FDAA COc1ccc([C@@H]2[C@H](C(N)=O)C[C@@H]3CN(C4CCCC4)CC(=O)N23)cc1 1857687439 RBKYDAIQDIBYEX-SZVBFZGTSA-N 357.454 1.697 0 50 FDAA COCCc1noc(CN2CCC3(CC2)C[C@H](O)C[C@H](C(C)C)O3)n1 1857707763 JAINMBXDWBDMER-HUUCEWRRSA-N 353.463 1.789 0 50 FDAA CCCc1nnc(N2C[C@@H](C(=O)NCc3ccc(O)cc3)CC2=O)s1 1857714094 REACPPZSUCCRSB-LBPRGKRZSA-N 360.439 1.866 0 50 FDAA CCCS(=O)(=O)NC[C@H]1[C@H]2CN(Cc3ccc(C)o3)C[C@]23CC[C@H]1O3 1875243947 FOIQLIZRZKAAKS-BSDSXHPESA-N 368.499 1.897 0 50 FDAA NC(=O)c1cn(CCOC(=O)c2cc(Cl)ccc2Br)nn1 225856288 DRXFRQBERXTIJG-UHFFFAOYSA-N 373.594 1.650 0 50 FDAA Cc1cc(C(=O)NC2CCN(C3CC3)CC2)cc(S(N)(=O)=O)c1C 123536510 KYODZKYAIFJYRN-UHFFFAOYSA-N 351.472 1.307 0 50 FDAA CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C[C@@H](C)c1ccc(F)cc1F 330399120 IFCDTYNNLQDPLL-YPMHNXCESA-N 360.426 1.999 0 50 FDAA C[C@H](CN1CCC(n2cc(C(=O)NCCCO)nn2)CC1)c1ccccc1 12163102 IRYVDAKCVWLWSM-MRXNPFEDSA-N 371.485 1.831 0 50 FDAA O=C1C[C@H](C(=O)N[C@@H]2CCCN(c3cccnn3)C2)c2ccc(F)cc2N1 246846270 HHIVTYBHTCHVGW-HIFRSBDPSA-N 369.400 1.827 0 50 FDAA Cc1ccc(C(=O)N2C[C@@H](CO)C[C@@H](CN3CCOCC3)C2)c(F)c1 248104189 OQHDROQXLVMYJM-HOTGVXAUSA-N 350.434 1.537 0 50 FDAA COc1nn(C)cc1NS(=O)(=O)c1cc(C(=O)O)cc2c1CCC2 473485560 BDEZKQSBEXLZRB-UHFFFAOYSA-N 351.384 1.416 0 50 FDAA CNC(=O)[C@@H]1Cn2c(C)nnc2CN1C(=O)c1cc2cccc(C)c2o1 818364432 LDGMEEMTIWXCGY-ZDUSSCGKSA-N 353.382 1.412 0 50 FDAA COc1cc(F)c(CN2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)cc1OC 1704335987 RQHSRSKOHQUVFM-ZWKOTPCHSA-N 369.433 1.710 0 50 FDAA Cn1nc2c(c1C(=O)NCC[C@@H]1CCc3ccccc31)CS(=O)(=O)CC2 908522880 FZOUCTJNSUVABD-AWEZNQCLSA-N 373.478 1.741 0 50 FDAA CN(C)C(=O)C[C@]1(O)CCCN(C(=O)NCC[C@]2(C)C[C@]2(F)Cl)C1 845399866 LPQUTDJPIGQAQU-BZUAXINKSA-N 363.861 1.706 0 50 FDAA C[C@@H]1CC[C@@](C)(/C=C/C(=O)NCCN2CCS(=O)(=O)CC2)C1(C)C 841384136 RQUXVKZFWPVWAA-OUEBKFTGSA-N 356.532 1.852 0 50 FDAA O=C(Nc1nccn1-c1ccccc1)C(=O)N1CCC[C@@H](n2nccn2)C1 2325767687 YXJQXOVCZLWDQB-OAHLLOKOSA-N 365.397 1.266 0 50 FDAA CN(CC(=O)N1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1Cl 798703 DEEVDZRETLGEQN-UHFFFAOYSA-N 367.254 1.473 0 50 FDAA COC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccccc1 1143263 HXCVBWTVAVAXBN-UHFFFAOYSA-N 362.407 1.732 0 50 FDAA COCCn1c(C)cn2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc12 4251048 LVSATYGGKKCHND-UHFFFAOYSA-N 367.409 1.153 0 50 FDAA CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1 10325951 UKHVIFCVJVQGRB-UHFFFAOYSA-N 355.460 1.542 0 50 FDAA CSc1cccc(NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)c1 10333873 AOBSYKYJNINFPG-UHFFFAOYSA-N 357.501 1.865 0 50 FDAA Cc1c(Cl)cc(C(=O)O)cc1S(=O)(=O)NC[C@]1(C)CCC(=O)N1 414356017 ZPOMEWIINVDHCA-AWEZNQCLSA-N 360.819 1.294 0 50 FDAA CCOC(=O)[C@@H]1[C@H](c2cccc(F)c2)NC(=S)N[C@]1(O)C(F)(F)F 8683627 QJLVSWMMXNBJGU-OUJBWJOFSA-N 366.336 1.775 0 50 FDAA Cn1cc(CNCCSc2c[nH]nn2)c(-c2ccc3c(c2)OCCO3)n1 23144937 ZQAVFLJINGGNKY-UHFFFAOYSA-N 372.454 1.858 0 50 FDAA Nc1nc(N2CCN(Cc3c(Cl)nc4sccn34)CC2)cc(=O)[nH]1 65451540 LZLVNWBUYRRRNP-UHFFFAOYSA-N 365.850 1.037 0 50 FDAA COCCN1CCN(C(=O)c2cn(C/C=C/c3ccccc3)nn2)CC1 20777864 NXTNMZVEVYKCKS-VMPITWQZSA-N 355.442 1.396 0 50 FDAA Nc1c(C(=O)NCCN2CCOCC2)sc(=S)n1-c1ccccc1 20064625 PYKVIPPUGWELIU-UHFFFAOYSA-N 364.496 1.912 0 50 FDAA NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cn2c3c(cccc3c1=O)CC2 65457260 VFODYQRFFQAWES-GOSISDBHSA-N 373.412 1.610 0 50 FDAA 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FDAA O=C(C[C@@H]1COCCN1C(=O)c1ccc2nccnc2c1)N1CCCC1 72148423 DVIDQMYXOJQQHE-OAHLLOKOSA-N 354.410 1.483 0 50 FDAA NC1CC(c2cc(N3CCN(Cc4ccccc4F)C(=O)C3)ncn2)C1 219324929 NZKIQQCNLYUFHY-UHFFFAOYSA-N 355.417 1.669 0 50 FDAA CC(C)Cc1cc(C(=O)NCCc2nc(-c3ccccn3)no2)nc(=O)[nH]1 216068897 VTUZANAPXDIVDW-UHFFFAOYSA-N 368.397 1.386 0 50 FDAA Cn1c2c(cc(-c3ccccc3)c1=O)CN(C(=O)[C@@H]1CSC(=O)N1)CC2 14543056 QNOJXLQHFLRAHJ-HNNXBMFYSA-N 369.446 1.762 0 50 FDAA COCc1noc(CCNC(=O)c2cn(C)c3ccc(C)cc3c2=O)n1 222519189 HSRARZWPUBVPGV-UHFFFAOYSA-N 356.382 1.349 0 50 FDAA COC[C@H](NC(=O)c1ccc(N2CCN(C)CC2)cc1)c1ccnn1C 220666978 VIDKYKUFNHDLSB-KRWDZBQOSA-N 357.458 1.289 0 50 FDAA Cc1cc(C)c2ccc(C(=O)N3CC[C@]4(CN(C)C(=O)CO4)C3)cc2n1 426490242 NBKRDHZJYLETGN-FQEVSTJZSA-N 353.422 1.925 0 50 FDAA O=C(Cn1ncc(N2CCCC2)cc1=O)N[C@@H]1CCc2ccccc2C1 19227606 BDZFJHFSAYJYJK-QGZVFWFLSA-N 352.438 1.517 0 50 FDAA Cc1nc2sccn2c1C(=O)NC1CCN(c2cc(O)nc(N)n2)CC1 426707160 HHRSXHFBFZUXJB-UHFFFAOYSA-N 373.442 1.181 0 50 FDAA NS(=O)(=O)c1ccc(CCNc2nccc(-c3ccncc3)n2)cc1 97635040 RRWPVSSKQUPDNT-UHFFFAOYSA-N 355.423 1.841 0 50 FDAA NC(=O)[C@H]1CCCN(CCCNC(=O)c2ccc(-c3cncnc3)cc2)C1 426442026 UTBQETHBZIMOCR-KRWDZBQOSA-N 367.453 1.461 0 50 FDAA O=C(NCCc1ccccc1)c1cccc(S(=O)(=O)N[C@@H]2CCNC2)c1 95359196 UBOZQSHKZADSHA-QGZVFWFLSA-N 373.478 1.299 0 50 FDAA CCc1ccccc1CN1CCN(CCC(=O)O)[C@@H]2CS(=O)(=O)C[C@@H]21 91643639 ADHUSZDGKWJHRM-SJORKVTESA-N 366.483 1.007 0 50 FDAA CN(CCc1ncnn1-c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 91412422 ZRKXRKSXYIRDSV-GFCCVEGCSA-N 354.863 1.582 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2cccc(C)c2)CN1Cc1c[nH]cn1 91585621 VAHKGWMNHQVOIZ-WMZOPIPTSA-N 369.469 1.156 0 50 FDAA CCn1ccnc1CN1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 91440505 ONMZMZRYFIPKHE-UHFFFAOYSA-N 368.485 1.912 0 50 FDAA C[C@H](Cn1cncn1)C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O 91546996 AHEYYGSASPVLQZ-CYBMUJFWSA-N 354.414 1.340 0 50 FDAA CC(=O)N[C@@H]1CN(S(=O)(=O)c2c(C)noc2C)C[C@H]1c1ccc(C)o1 92021883 JKLOQRDLSHEYOY-ZIAGYGMSSA-N 367.427 1.486 0 50 FDAA NC(=O)CCN1C[C@H](C2CC2)[C@@H](NC(=O)c2ccc(Cl)c(F)c2)C1 91637080 PZXHVIJMIAQZMP-DOMZBBRYSA-N 353.825 1.795 0 50 FDAA CCCC[C@@H](NS(=O)(=O)c1cccc(C(=O)NC2CCC2)c1)C(N)=O 95361745 FSVILMRXBVKFGZ-OAHLLOKOSA-N 367.471 1.291 0 50 FDAA C[C@H]1CNC(=O)CCN1C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 91943929 HBQWJJWITNIIGS-NSHDSACASA-N 373.365 1.333 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)C2CCCC2)CN1C(=O)c1cccnc1 96153295 NHNBCHJFHZLCFO-HOTGVXAUSA-N 358.442 1.107 0 50 FDAA Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)Cc4cc(=O)[nH][nH]c4=O)C3)nc2c1 244882675 XWJNAXFEJNAYFY-GFCCVEGCSA-N 367.409 1.197 0 50 FDAA CN(CCC(=O)N1CCC(C(=O)O)CC1)Cc1ccc2nsnc2c1 244840356 ULKUPUHPLDFPAM-UHFFFAOYSA-N 362.455 1.836 0 50 FDAA COCCn1c(CN2C(=O)COc3ccccc32)nnc1[C@H]1C[C@@H](N)C1 244633549 GEULGLHRAMCAPP-BETUJISGSA-N 357.414 1.055 0 50 FDAA CCSc1nnc(NC(=O)CN2CCC[C@H](c3nc(C)n[nH]3)C2)s1 244816893 SQLSPMNXAOTCNG-JTQLQIEISA-N 367.504 1.895 0 50 FDAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2ccccc2C(C)=O)C1 244742144 OCOZBXNCKWDKNC-OKILXGFUSA-N 372.425 1.295 0 50 FDAA COc1ccc([C@@H](NC(=O)c2ccc(N(C)C)nc2)[C@H]2C[C@H](O)C2)cn1 252572420 ZGNRYXLMWXERTD-IIDMSEBBSA-N 356.426 1.793 0 50 FDAA Cc1nc(NC(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)n(C)n1 183745456 XIVPINLLDKRAKK-UHFFFAOYSA-N 351.432 1.405 0 50 FDAA COc1ccc2c(c1)OC[C@@H](C(=O)N(CCC(=O)O)C[C@H]1CCCO1)C2 299742309 BAVYZIMPUMUISL-GOEBONIOSA-N 363.410 1.729 0 50 FDAA CN(C)CC(C)(C)CNC(=O)c1cccc(-c2cncc(C(N)=O)n2)c1 534646528 JVEWWFDNUMSLAK-UHFFFAOYSA-N 355.442 1.560 0 50 FDAA CNS(=O)(=O)CCNC(=O)N1CCC[C@@H](COc2ccccc2F)C1 534667053 GUBAZKYWLHVCSA-CYBMUJFWSA-N 373.450 1.175 0 50 FDAA CN(CC(=O)NC1CCN(C(=O)N2CCCC2)CC1)Cc1cccnc1 299787571 NMUCOYOJCYWCMS-UHFFFAOYSA-N 359.474 1.310 0 50 FDAA CN(C)CCOc1ccccc1CN1CC[C@@H]2OCc3cnnn3[C@H]2C1 299801436 YFZKOMMTBJDKGU-HKUYNNGSSA-N 357.458 1.564 0 50 FDAA Cc1cc(=O)c2ccccc2n1CC(=O)N(C)C[C@H](C)N1CCOCC1 299782272 FPAYAOWQNLPKFC-INIZCTEOSA-N 357.454 1.489 0 50 FDAA COc1ccccc1N1C[C@@H](C(=O)N2CCC(C3(O)CC3)CC2)CC1=O 652669205 YZERFGMISLONOB-AWEZNQCLSA-N 358.438 1.812 0 50 FDAA O=C(CCCn1cnc2ccccc2c1=O)NCc1noc(C2CC2)n1 828032484 YHZJJIYCIDKUBZ-UHFFFAOYSA-N 353.382 1.754 0 50 FDAA Nc1n[nH]c(CCNC(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)n1 584894974 QAKMFTIQFYAQQF-LBPRGKRZSA-N 362.409 1.569 0 50 FDAA CCc1nccn1CCCNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 670446551 NTOCWQQYMJPODK-UHFFFAOYSA-N 362.455 1.699 0 50 FDAA CCC[C@@H](NC(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1)C(=O)O 670433982 YXHSEXSVCVBITJ-OAHLLOKOSA-N 363.414 1.416 0 50 FDAA CCOC(=O)[C@@H]1CNCC[C@@H]1NC(=O)[C@H](O)c1ccccc1C(F)(F)F 1875276663 MXFQYSNQFUHIND-KWCYVHTRSA-N 374.359 1.396 0 50 FDAA C=CC(=O)NC[C@H]1CN(C(=O)[C@@]2(C)OCCc3ccccc32)CCCO1 1875386382 OXQYUXYTIUISTR-JXFKEZNVSA-N 358.438 1.394 0 50 FDAA CN(C)C/C=C/C(=O)N(C)[C@H]1CCCC[C@@H]1N(C)C1CCN(C)CC1 1875375437 CUXJSCOOJYUNAB-GWDHXLPESA-N 350.551 1.900 0 50 FDAA CC[C@H](NC(=O)[C@H]1CCCN(Cc2ccncc2)C1)C(=O)N1CCOCC1 1875322287 OKXSUDJKIQMKJI-ROUUACIJSA-N 374.485 1.047 0 50 FDAA CNC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1ccc(OCC3CC3)nc1)C2 952851895 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O=C(Cc1cccnc1)N1CC[C@]2(O)CCN(C(=O)N3CCCC3)C[C@@H]2C1 1073379391 PWPLTCWAFXPMEE-PXNSSMCTSA-N 372.469 1.125 0 50 FDAA CCc1nc(C2CCN(C(=O)c3c(C)nn(C)c3-n3cccn3)CC2)n[nH]1 191598026 VAMAUYVMIPYXCX-UHFFFAOYSA-N 368.445 1.615 0 50 FDAA NC(=O)CN1CCC[C@H](C(=O)Nc2nc3c(s2)CCCCCC3)C1 1506422865 VFXWKCBIUODOEI-LBPRGKRZSA-N 350.488 1.938 0 50 FDAA CN(C)C(=O)NCC(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12 1704341677 YYGHFUASVQAHMR-RHSMWYFYSA-N 356.426 1.180 0 50 FDAA O=C(c1cncc(N[C@@H]2COC[C@H]2Cc2ccncc2)n1)N1CCOCC1 1704299283 HUFVYIJKQSRJIU-NVXWUHKLSA-N 369.425 1.014 0 50 FDAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(CCCOc1ccccc1)C2 212966077 QECWZXPGRJIMQZ-SJORKVTESA-N 359.470 1.467 0 50 FDAA CN(C)c1ncc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)cn1 216425728 XMDLPHUWXVNCHV-ZBFHGGJFSA-N 372.498 1.622 0 50 FDAA COc1cccc(C(=O)N2C[C@H]3CN(c4ccncc4)C[C@@]3(CO)C2)c1 1772806370 DMEOMHMZMIYKLB-UZLBHIALSA-N 353.422 1.661 0 50 FDAA CC(C)COc1cc(O)cc(C(=O)N2CCC(CS(N)(=O)=O)CC2)c1 1772705353 WOTGUOCKTJDSFM-UHFFFAOYSA-N 370.471 1.568 0 50 FDAA O=C(Cc1csc(-c2ccccc2F)n1)N[C@H]1CCS(=O)(=O)C1 11865895 RTDQKOOEFNHNRT-JTQLQIEISA-N 354.428 1.795 0 50 FDAA CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)CCCC(=O)OC 11934195 BNEHWZGCODRRIP-UHFFFAOYSA-N 367.534 1.984 0 50 FDAA COCCS(=O)(=O)c1ncc(CN2CCCO2)n1Cc1ccccc1 15071971 XZIBNPBWCBNUSP-UHFFFAOYSA-N 365.455 1.489 0 50 FDAA O=C1NCCN(Cc2ccc(Cl)c(F)c2)[C@@H]1CC(=O)N1CCOCC1 15074650 SMASWYIYXOLCOV-OAHLLOKOSA-N 369.824 1.028 0 50 FDAA O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(Cc2ccccc2)CC1 19733124 JUJCLYCGVIRFNW-UHFFFAOYSA-N 363.417 1.627 0 50 FDAA Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)cc1 19890076 JRUIFWHBVYPSGG-MRXNPFEDSA-N 365.499 1.170 0 50 FDAA O=C(CCCn1cccn1)Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2 206233516 LGRIGGVDEPJBHK-MRXNPFEDSA-N 367.409 1.859 0 50 FDAA O=C(Cc1cccs1)N[C@H]1C[C@H](c2cc(N3CC[C@@H](O)C3)ncn2)C1 220597029 BEHSRTDTZOQVQN-HZSPNIEDSA-N 358.467 1.714 0 50 FDAA O=C(c1ccc2c(c1)CCO2)N1C[C@@H]2COC[C@]2(C(=O)N2CCCCC2)C1 1857703726 QOFOBUWOWZHAGM-DYESRHJHSA-N 370.449 1.723 0 50 FDAA Cc1cnc(N2C[C@@H]3[C@H](CNC(=O)c4ccoc4)[C@H]4CC[C@]3(C2)O4)[nH]c1=N 1857722410 UXSMYFWOWWOTFJ-NRTGNBEESA-N 369.425 1.204 0 50 FDAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3ccc(-n4ccnc4)cc3)C[C@@H]12 1857733709 VPSJZJLMUNZFJO-KSZLIROESA-N 360.483 1.031 0 50 FDAA CC1(C)C(C(=O)N2C[C@@H]3[C@H](CNS(C)(=O)=O)[C@H]4CC[C@]3(C2)O4)C1(C)C 1875242604 VUOHYDFQECGYMR-NVAPZFDKSA-N 370.515 1.224 0 50 FDAA Cc1ccccc1CN1CC[C@H](CN2CCn3nc(C(=O)O)cc3C2=O)C1 1875243254 YHWSQXMCKRIJAX-HNNXBMFYSA-N 368.437 1.868 0 50 FDAA CCCN1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1S(=O)(=O)CCC 253417588 BHKHSGREXIAYIP-HOTGVXAUSA-N 359.536 1.571 0 50 FDAA N[C@@H]1CCN(c2ccnc(N3CCc4nn(-c5ccccc5)cc4C3)n2)C1 2325798243 ZJFVPORVBHJMRO-MRXNPFEDSA-N 361.453 1.762 0 50 FDAA Cn1c(C(N)=O)nnc1N1CC[C@H](c2ccccc2Br)C1 2325827241 ZTGATFDCQBNPRI-VIFPVBQESA-N 350.220 1.670 0 50 FDAA Cc1ccc(C(=O)N2CCCN(C(=O)[C@H](C)O)C[C@H]2C)c2ncccc12 2325864926 FYQIICNHLIIESE-CABCVRRESA-N 355.438 1.987 0 50 FDAA CC1CC(C(=O)N[C@H]2CN(C(=O)c3ccc4c(c3)CC(=O)N4)C[C@H]2C)C1 2325880014 PYZKGPPZDAYAED-AUJPVWNESA-N 355.438 1.804 0 50 FDAA C=CC(=O)NCC(=O)N1CCN(C(=O)c2sc3ccccc3c2C)CC1 2325888696 RFPGOYQBPZOAJM-UHFFFAOYSA-N 371.462 1.796 0 50 FDAA COc1cc(NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCCN)cc2ccccc12 1578628 NVFAVOGMBNAYET-GUYCJALGSA-N 372.469 1.748 0 50 FDAA C[C@@H]1Cc2cc(C(=O)Nc3ccc(C(N)=O)cc3)ccc2N1S(C)(=O)=O 10324346 SFVXQGHXKXWDMQ-LLVKDONJSA-N 373.434 1.748 0 50 FDAA CCOC(=O)c1ccc(NC(=O)N2CCN(Cc3nccn3C)CC2)cc1 106252596 UCLNBQMKBCUOCQ-UHFFFAOYSA-N 371.441 1.947 0 50 FDAA Cc1cccc2c1C[C@H](c1nc(CCN(C)S(=O)(=O)N(C)C)no1)O2 351093942 IIZYEPLBWUUMIU-CQSZACIVSA-N 366.443 1.335 0 50 FDAA Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N(C)CC1CCN(C)CC1 118332143 ZQBWLMBONHNQFO-GOSISDBHSA-N 356.474 1.566 0 50 FDAA CC[C@]1(O)CCCN(S(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)C1 67805417 WEUSMPFSSLIAAG-HNNXBMFYSA-N 374.484 1.018 0 50 FDAA COC(=O)c1cc2n(n1)CCCN(C(=O)c1ccc(-c3ncn[nH]3)cc1)C2 67473540 JLPGECGPVMASSS-UHFFFAOYSA-N 366.381 1.501 0 50 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0 50 FDAA Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2cnc3ccccc3n2)CC1 219437118 BQFYNSMPTMVPNQ-KRWDZBQOSA-N 351.410 1.949 0 50 FDAA O=C(O)CCc1cc2n(n1)CCN(C(=O)c1cc(O)c3ccccc3n1)C2 72474599 GUEOVFOZEXKTSI-UHFFFAOYSA-N 366.377 1.810 0 50 FDAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2cc(=O)[nH]c(O)n2)cc1 77408088 JXMIJOCYEPORBH-MRXNPFEDSA-N 356.426 1.905 0 50 FDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCCC3)[C@@H]4C2=O)c1 77459596 RNGRMYOUAICWGT-UGNRZPKXSA-N 368.433 1.600 0 50 FDAA O=C(O)CCc1cc2n(n1)CCN(CCS(=O)(=O)c1ccccc1)C2 72173896 KPINOARAVOHYHM-UHFFFAOYSA-N 363.439 1.190 0 50 FDAA C[C@@H]1NC(=O)N(CCN2CCN(c3cncc4ccccc34)CC2)C1=O 459419399 AIYQLDPUCVJQSV-AWEZNQCLSA-N 353.426 1.297 0 50 FDAA COc1cc(-c2cnnc(N3CCc4[nH]ncc4C3)n2)cc(OC)c1OC 19110993 YPCAGQVGWVUKAA-UHFFFAOYSA-N 368.397 1.850 0 50 FDAA Cc1ccc(F)cc1S(=O)(=O)N[C@H](c1cnn(C)c1)C1CC(O)C1 220603910 OGBWVNVTUKCXKP-INORYPFCSA-N 353.419 1.658 0 50 FDAA CCOC(=O)N1CCC(NC(=O)Cn2nccc2[C@H]2CCCNC2)CC1 426668985 JMOIVVNRERVQED-AWEZNQCLSA-N 363.462 1.087 0 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COc1ccc([C@@H]2CN(C(=O)CCc3n[nH]c(C)n3)C[C@H]2N(C)C)cc1 95354518 ZCIZUIARUFZBCD-DLBZAZTESA-N 357.458 1.611 0 50 FDAA Cc1nnc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2C)s1 426583934 GGWPHKRELIIIBF-OAHLLOKOSA-N 373.482 1.162 0 50 FDAA CCOc1ccc(CN2CCC3(CCC(=O)N(CC(N)=O)C3)CC2)cc1 91551615 YRNXXPZPNSUCHC-UHFFFAOYSA-N 359.470 1.775 0 50 FDAA COc1cccc2c1OC[C@@H](CNC(=O)Cc1c(C)nc(N)nc1C)C2 95389319 PKCHAXDFVAPYAF-CYBMUJFWSA-N 356.426 1.594 0 50 FDAA O=C1COc2cc(C(=O)N3CCNC(=O)[C@@H]3Cc3ccccc3)ccc2N1 97766495 SUDSUQOQKASVLS-INIZCTEOSA-N 365.389 1.201 0 50 FDAA O=C(Nc1cccc(N2CCOC2=O)c1)N1CCN(c2cnccn2)CC1 96150904 GTCRWAOEDIEUKT-UHFFFAOYSA-N 368.397 1.787 0 50 FDAA Cc1nc(CCN(C)C(=O)CN2C[C@@H](Cc3ccccc3)CC2=O)no1 95518834 PMQLBUJYYXDBQU-INIZCTEOSA-N 356.426 1.470 0 50 FDAA Cc1nc2ccccc2nc1CN1CC[C@@H](N2CCN(C)CC2)[C@H](O)C1 23358275 MFJRETVYBHNWBQ-WOJBJXKFSA-N 355.486 1.121 0 50 FDAA CC[C@]1(C(=O)O)CCCN(C(=O)Cc2ccc(N3CCNC3=O)cc2)C1 91943161 YRFOSZWMACJPFT-IBGZPJMESA-N 359.426 1.862 0 50 FDAA Cc1cc(=NC(=O)c2sc(C)nc2C)n([C@H]2CCS(=O)(=O)C2)[nH]1 334159153 IIOULQJNDMRIBX-NSHDSACASA-N 354.457 1.299 0 50 FDAA Cc1nn(C)cc1S(=O)(=O)N1CCC2(CCC(=O)N(C(C)C)C2)CC1 91713435 ZKSOMPVVLHTCRQ-UHFFFAOYSA-N 368.503 1.530 0 50 FDAA O=C(CCn1cnnn1)N1CCC[C@H](c2nccn2Cc2ccncc2)C1 91425975 LMFZBZJUVUMALW-INIZCTEOSA-N 366.429 1.109 0 50 FDAA CN1CC(=O)N(c2cccc(NC(=O)NCCCN3CCCC3)c2)C1=O 97602540 NYSQJJXRJMNOIT-UHFFFAOYSA-N 359.430 1.692 0 50 FDAA Cc1nccn1Cc1nnc(C2CCN(c3cc(N)ncn3)CC2)n1C 91625384 VEAISIBVESZNSN-UHFFFAOYSA-N 353.434 1.125 0 50 FDAA COc1ccc([C@H]2CN(C(=O)c3nc(N)nc4c3CCCC4)C[C@@H]2N)cc1 91535217 BOIRDKBVXQEJHC-CVEARBPZSA-N 367.453 1.513 0 50 FDAA COCc1cccc(C(=O)N2CCN(C(=O)c3ccccc3OC)CC2)n1 97694708 TVQUJGYIDKQLCJ-UHFFFAOYSA-N 369.421 1.835 0 50 FDAA CC[C@H](COC)NC(=O)c1cccc(S(=O)(=O)NC2CCOCC2)c1 95362430 UWMNZVGYOIPZJC-CQSZACIVSA-N 370.471 1.299 0 50 FDAA O=C(c1ccc(N2CCCC2=O)cc1)N1CCC2(CC1)OCCC[C@@H]2O 91636639 LUVDLDDXHVVPPT-KRWDZBQOSA-N 358.438 1.960 0 50 FDAA COCC(=O)Nc1cc(NC(=O)N(C)C[C@H]2COCCO2)ccc1OC 96138631 ZTLQULFDASKDSU-ZDUSSCGKSA-N 367.402 1.159 0 50 FDAA Cc1cccc2cc(C(=O)N3CCC4(CC3)[C@@H](OCCN)C[C@H]4O)n(C)c12 91644598 XWPXRDQCSPXIBA-MSOLQXFVSA-N 371.481 1.818 0 50 FDAA Cn1cc(C(=O)N2CCC3(CC2)[C@@H](OCCN)C[C@H]3O)c2ccccc21 91932235 NNKQYFWHHAFKCD-MSOLQXFVSA-N 357.454 1.509 0 50 FDAA CCOC(=O)CNC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N2 97570887 OJCOMCTVBJDTEB-OAHLLOKOSA-N 359.426 1.397 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cnc(C)nc2)CN1Cc1ccc(C)o1 96151360 MSUHFYJBZMHDIZ-RDJZCZTQSA-N 371.441 1.195 0 50 FDAA O=C(N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1cnc2sccn2c1=O 244712731 KVSMAFDPURLAGB-WDMOLILDSA-N 356.407 1.393 0 50 FDAA COc1ccc(NC(=O)CN2CCN(c3nc[nH]n3)CC2)cc1Cl 244828588 TYYFZNPAGQTTHT-UHFFFAOYSA-N 350.810 1.227 0 50 FDAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3[C@H]4[C@H]3[C@H]2[C@@H]2[C@@H]1[C@@]42c1ccccc1 247957556 OJBCEBJEDIRAOB-CTSDAZPPSA-N 355.397 1.970 0 50 FDAA CCc1oncc1C(=O)N[C@H]1C[C@H](c2nnc(Cn3ccnc3)n2C)C1 244900040 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CCCc1cc(CNS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)on1 670445981 BHKHGSBFZQDUMW-UHFFFAOYSA-N 364.427 1.296 0 50 FDAA O=C(NCc1nncn1C1CCCCC1)c1ccc(-n2cnnc2)nc1 670440544 IFACQHHJGOYKTM-UHFFFAOYSA-N 352.402 1.689 0 50 FDAA C=CC(=O)N[C@@H]1C[C@H](NC(=O)Cn2ccc(C(F)(F)F)n2)C12CCC2 1875385944 FYPYHVAWXKWKKE-NEPJUHHUSA-N 356.348 1.632 0 50 FDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](N[C@@H](C)C3(OC)CCC3)C2)n1 1875397490 BTZJVELWDGGUIP-LSDHHAIUSA-N 361.490 1.579 0 50 FDAA C[C@H](CN1CCOCC1)OC(=O)c1cc(Br)nc2n[nH]cc12 1875375564 DXELUPCZXHVIIZ-SECBINFHSA-N 369.219 1.598 0 50 FDAA C=CC(=O)N1CC2(CC[C@H](CNC(=O)c3c(C)nc4ccnn4c3C)O2)C1 1875389315 JSPAAQTYLWTPMO-CQSZACIVSA-N 369.425 1.022 0 50 FDAA Cc1cc(C(=O)N2CCC[C@H](CS(C)(=O)=O)C2)n(CC(F)(F)F)n1 1875301601 PUPQMEJSEXDQTN-NSHDSACASA-N 367.393 1.651 0 50 FDAA CN(C[C@H](O)CN1CCC(c2nccc(-c3cncnc3)n2)CC1)C1CC1 952891237 CICVPAWBMTZALY-SFHVURJKSA-N 368.485 1.568 0 50 FDAA CN1Cc2ccccc2C[C@H]1CNC(=O)c1nc(N)nc2c1CCCC2 952989983 ZPAKOHJTLWDJMY-HNNXBMFYSA-N 351.454 1.724 0 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COCCN(C)C[C@H]1C[C@H](CO)CN(c2nc(N(C)C)nc(C)c2C)C1 91620779 LXMSITBGHCOMDK-SJORKVTESA-N 365.522 1.172 0 50 FDAA Cc1n[nH]c(C)c1Cc1nc(-c2ccncc2)nn1[C@H]1CCS(=O)(=O)C1 96164360 VTVCJYRPSYNKGQ-AWEZNQCLSA-N 372.454 1.630 0 50 FDAA Cn1c(N2CC[C@H](O)C2)nc2cc(C(=O)NCCCN3CCCC3)ccc21 95377121 RGSNZAOHKGTLPX-INIZCTEOSA-N 371.485 1.360 0 50 FDAA Cn1cc(C(=O)N2CCC(c3nccn3CC(N)=O)CC2)c2ccccc21 95519118 WWWYZJVTCSUPNF-UHFFFAOYSA-N 365.437 1.880 0 50 FDAA COc1ccc(S(=O)(=O)N2CCC3(CCC(=O)N(C)C3)CC2)cc1F 91350875 KUCKEXBTWZHZRD-UHFFFAOYSA-N 370.446 1.857 0 50 FDAA CCCCS(=O)(=O)N1CCN(C)[C@@]2(CCC(=O)N(CC3CC3)CC2)C1 230180065 CMVWCCOYDZHWJI-GOSISDBHSA-N 371.547 1.525 0 50 FDAA Cc1cc(C)n(CCCc2nc([C@@H](O)c3ccccc3)nn2CCO)n1 96165803 UEOSJZCUVICGQL-SFHVURJKSA-N 355.442 1.798 0 50 FDAA O=C(O)Cn1nc(C2CCCC2)nc1COc1cccc(-n2cnnn2)c1 97730157 BMQQPJCWMTWXIW-UHFFFAOYSA-N 369.385 1.575 0 50 FDAA O=C(Cn1nc(-c2ccccc2F)ccc1=O)N[C@@H](CO)c1ccccc1 252485404 GUCFGCNCZMJUNK-SFHVURJKSA-N 367.380 1.899 0 50 FDAA 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COc1cnc(C(=O)N2CCC(C(=O)Nc3cccc(OC)c3)CC2)nc1 1875252949 RRTBANAREJXOLY-UHFFFAOYSA-N 370.409 1.985 0 50 FDAA C[C@@H](C[C@@H]1CCOC1)NC(=O)N1CCC(c2nc(N(C)C)no2)CC1 1875252896 YBAGWDSYMKXWDJ-STQMWFEESA-N 351.451 1.840 0 50 FDAA C=CC(=O)N1CCC(C(=O)N2CCC(O)(Cc3ccncc3)CC2)CC1 1875365955 YDJURJYNIDVRLT-UHFFFAOYSA-N 357.454 1.402 0 50 FDAA C=CC(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O 1875303159 YUHAOIMTGHYQKI-GFCCVEGCSA-N 370.236 1.907 0 50 FDAA CCNC(=O)[C@H]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 952965705 BTQYWFOBDUEARF-JTQLQIEISA-N 350.362 1.852 0 50 FDAA CC(C)Cc1cc(C(=O)NCC2CCN(C(=O)[C@H]3CCOC3)CC2)n[nH]1 952972643 PKAGZERDELRZQP-HNNXBMFYSA-N 362.474 1.613 0 50 FDAA CN(C)c1nc(O)cc([C@H]2CCN(C(=O)c3ccn4cncc4c3)C2)n1 888094895 HXFIIOMESJLLBS-ZDUSSCGKSA-N 352.398 1.526 0 50 FDAA CCOc1ccccc1N1CCN(C(=O)CSc2nncn2C)CC1 171014819 WUAPIZZXDUDZBA-UHFFFAOYSA-N 361.471 1.655 0 50 FDAA COc1cc(C)c(C)cc1S(=O)(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N(C)C 1565526431 JIYZMICQPQTHNX-IEAZIUSSSA-N 354.472 1.308 0 50 FDAA CCO[C@H]1COCC[C@@H]1NC(=O)CN1CCN(c2cccc(C)c2)CC1 1565508408 URALROQNAOILCK-OALUTQOASA-N 361.486 1.427 0 50 FDAA Cc1cc(C(=O)N[C@H]2CCN(Cc3ccc4c(c3)OCCO4)C[C@@H]2O)no1 1565512600 ZPSKMTHXLJNFFM-HOCLYGCPSA-N 373.409 1.119 0 50 FDAA C[C@@H](C(=O)N1CCNC(=O)[C@H]1c1ccccc1)n1nnnc1C(C)(C)C 272189195 FEQUUZNAVKNNEM-GXTWGEPZSA-N 356.430 1.231 0 50 FDAA CN(C1(C(N)=O)CCCC1)S(=O)(=O)c1ccc(C(=O)O)c(Cl)c1 273761231 QRMWPRSMWWCVEA-UHFFFAOYSA-N 360.819 1.457 0 50 FDAA COc1cc(=O)n(Cc2nnc3n2CCCCC3)cc1Br 278583258 GBEMSVLCIMKGGU-UHFFFAOYSA-N 353.220 1.986 0 50 FDAA COc1ccc(S(=O)(=O)NCc2nnc(C3CCC3)n2C)c(C)c1 190485974 KROSPBVRFUKBLD-UHFFFAOYSA-N 350.444 1.878 0 50 FDAA O=C(c1ccccn1)[C@H]1CCCN(C(=O)c2cccc(-n3cnnc3)n2)C1 1506425919 IGSPRYDLHLYVFO-AWEZNQCLSA-N 362.393 1.792 0 50 FDAA O=C1CO[C@H](C(=O)NCCN2CCc3ccccc32)[C@@H](c2ccccc2)N1 1529099356 WBBNBCUSTZFPOE-UXHICEINSA-N 365.433 1.422 0 50 FDAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NC2(C(N)=O)CCCCC2)OCC(=O)N1C 1529168229 YHFNQZNHDNCPKJ-SJORKVTESA-N 373.453 1.198 0 50 FDAA O=C(N[C@H]1CCS(=O)(=O)C1)/C(=C\c1ccco1)NC(=O)c1ccccc1 2288518 URZWIEAYHIQRMY-LUYJPIOASA-N 374.418 1.354 0 50 FDAA CN1CCC[C@H](C(=O)N2CCCN(C(=O)c3cc(Cl)cn3C)CC2)C1 1772707667 SLTIGKBIIMZMKL-AWEZNQCLSA-N 366.893 1.695 0 50 FDAA CCCCNC(=O)N1C[C@H]2CN(C(=O)CSC)C[C@@]2(CCC(=O)O)C1 1772808440 QDHXQESYIRDWHX-DYVFJYSZSA-N 371.503 1.484 0 50 FDAA Cc1cc(CC(=O)N2C[C@H]3COC[C@@H]2CN(Cc2ccc(C)o2)C3)on1 1772704191 MOFOFXBSJUXCRU-HOTGVXAUSA-N 359.426 1.786 0 50 FDAA CCc1nccn1CCc1nc(-c2cccnc2O)nn1-c1cnn(C)c1 1775979702 LMQKBCWCTFZOOM-UHFFFAOYSA-N 364.413 1.770 0 50 FDAA Cc1nc([C@@H](C)N(C)C(=O)Cn2nnnc2CN2CCCC2)c(C)s1 12593443 VTAFYCAZLIYHKQ-LLVKDONJSA-N 363.491 1.562 0 50 FDAA COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@@H]1c1cccc(OC)c1 12661261 JHKZXOLSVSSHII-BSXFFOKHSA-N 350.367 1.081 0 50 FDAA biogenic COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)NCc1ccco1 13580935 JBYKPCGSZTXQFU-UHFFFAOYSA-N 356.375 1.364 0 50 FDAA CN(C)S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C(=O)CC2CCCC2)C1 14991341 KFCQIKKDIOODDR-CVEARBPZSA-N 357.520 1.686 0 50 FDAA CCN1C(=O)C[C@](CC(=O)N2CCC[C@H]2CO)(c2ccccc2C)C1=O 15008265 ZQIXASWFOIOFRV-YWZLYKJASA-N 358.438 1.385 0 50 FDAA COc1ccc(N2C(=O)C[C@H](Sc3nc(O)c(C)c(=O)[nH]3)C2=O)cc1 18056948 MANTUGJIOISEPD-NSHDSACASA-N 361.379 1.217 0 50 FDAA O=C1C[C@@H](NCc2ccc3c(c2)OCO3)C(=O)N1c1ccc2c(c1)OCO2 19890565 HLWIOUDNWQLNRK-CYBMUJFWSA-N 368.345 1.566 0 50 FDAA CCOc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)NCCO)cc1 4532689 ICZQKZKIIMIFTA-JXAWBTAJSA-N 354.406 1.965 0 50 FDAA Nc1ncccc1CN1CC[C@@]2(C1)Cn1c(nnc1-c1ccccn1)CO2 1857691538 PMBXRTNVOAZIOB-LJQANCHMSA-N 363.425 1.492 0 50 FDAA CCC[C@H]1COC[C@H]2CN(C(=O)c3cnc(-c4ccncc4)nc3)CCN12 1857722981 SDVSNLPCDGVECF-ZWKOTPCHSA-N 367.453 1.864 0 50 FDAA NC(=O)C1(NC(=O)[C@@H]2CC(=O)N(c3nc4ccccc4s3)C2)CCCC1 1857727647 WPAJDNVYUIWOTR-LLVKDONJSA-N 372.450 1.564 0 50 FDAA COc1cc(Cl)c(S(=O)(=O)N[C@H]2CCOC[C@@H]2O)cc1Cl 625590964 BOILBENIAIQREV-UWVGGRQHSA-N 356.227 1.430 0 50 FDAA COc1cc(F)c(C(=O)N2C[C@@H]3CC[C@H]2CN(S(C)(=O)=O)C3)c(F)c1 247496107 CZEYTBSPWXBBCP-MNOVXSKESA-N 374.409 1.469 0 50 FDAA Cc1ccsc1CN1CC[C@]2(O)CCN(S(=O)(=O)N(C)C)C[C@@H]2C1 247972538 VASRRHWDKWXVRO-HOCLYGCPSA-N 373.544 1.122 0 50 FDAA CN(CC(=O)N1CCOCC1)C(=O)c1ccnc(-c2ccccc2)c1N 375092363 ZBEOUDJSOXZBCV-UHFFFAOYSA-N 354.410 1.262 0 50 FDAA COCCOc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)O)C1 262413249 PSDCJUKJEAKCJS-LLVKDONJSA-N 361.391 1.336 0 50 FDAA CC[C@]1(C(=O)NCc2ccccn2)C[C@H]2CC[C@@H]1N2c1cc(N)ncn1 1704331149 OXTRJWXQIHADDM-VCBZYWHSSA-N 352.442 1.908 0 50 FDAA Cc1cc(C)cc(-n2[nH]c(=NC(=O)c3cnn4c3C[C@@H](N)CC4)cc2C)c1 2325768470 HWYYRSPTMOFUGX-HNNXBMFYSA-N 364.453 1.942 0 50 FDAA CN(C)CCn1cc(C(=O)N2CC(c3cc[nH]c(=N)n3)C2)c2ccccc21 2325781296 BCKJAOXHLXSOJL-UHFFFAOYSA-N 364.453 1.645 0 50 FDAA Cc1c(C(=O)N[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)oc(=O)c2ccccc12 2325785774 MUEBBBYITKLJSY-KBRIMQKVSA-N 367.405 1.867 0 50 FDAA NC(=O)NC[C@@H]1CCN(c2ncnc3c2cnn3-c2ccccc2F)C1 2325825646 YJHDSAMPCKJQTO-NSHDSACASA-N 355.377 1.449 0 50 FDAA O=C(N[C@H]1C[C@@H](O)[C@H](NC(=O)C2(CF)CC2)C1)c1cc2c([nH]1)CCCC2 2325850607 CNJKGQQQKVHWLZ-XNRPHZJLSA-N 363.433 1.381 0 50 FDAA NC(=O)[C@H]1COC2(CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)C1 2325870257 PPIMNVKKZHYELC-GFCCVEGCSA-N 356.378 1.290 0 50 FDAA C=CC(=O)N1CCC(C(=O)N2CCc3ccccc3[C@@H]2C(=O)OC)CC1 2325889569 XGPIQAVGLWNGSQ-GOSISDBHSA-N 356.422 1.710 0 50 FDAA CN(C)c1nc(NS(=O)(=O)c2ccc(Cl)cc2)nc(N(C)C)n1 862672 ZZGLBAAOIFKIJV-UHFFFAOYSA-N 356.839 1.458 0 50 FDAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)CN3CCCN(C)CC3)C1)CC2 2356156321 WCOWRFYWXFOHBY-FQEVSTJZSA-N 357.502 1.229 0 50 FDAA O=C(Cn1ncc2ccccc21)N1CC[C@](O)(c2ccccc2)[C@@H](O)C1 2356158166 DKMLHAAQIOQUNB-ICSRJNTNSA-N 351.406 1.517 0 50 FDAA CN1CCC[C@]2(CCCN2C(=O)c2cnc(-c3ccccn3)nc2)C1=O 2356166515 BEZNECNYBJCZOQ-IBGZPJMESA-N 351.410 1.766 0 50 FDAA CCN(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccc(OC)cc1 4414275 RGAAADZYZNRLRI-UHFFFAOYSA-N 363.439 1.417 0 50 FDAA O=C(Nc1ccc(O)cc1)c1cc(S(=O)(=O)N2CCOCC2)cs1 6680818 FTYOHOSPTGPUKO-UHFFFAOYSA-N 368.436 1.727 0 50 FDAA O=C(COc1cccc(F)c1)N1CCN(CC(=O)N2CCCCC2)CC1 52988542 DGRAXUXMEMEDAM-UHFFFAOYSA-N 363.433 1.361 0 50 FDAA CCN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2ccccc2)c(=O)n1C 8710206 UWQMLDVXLKXBRP-UHFFFAOYSA-N 352.398 1.161 0 50 FDAA O=c1[nH]c(=O)n(C[C@@H]2CCCO2)c2nccc(-c3ccc4c(c3)OCO4)c12 8992360 LCNOFXDUBXEGFD-LBPRGKRZSA-N 367.361 1.660 0 50 FDAA CN(C)[C@@H]1c2ccccc2C2(CCN(c3cc(C(N)=O)ccn3)CC2)[C@H]1O 20862526 VZVHKKINFXTNIP-MOPGFXCFSA-N 366.465 1.696 0 50 FDAA Cc1ccc(C)c(O[C@@H](C)C(=O)N2CCC(n3cc(CN)nn3)CC2)c1 23339121 KOJXMFGFJVJNEA-HNNXBMFYSA-N 357.458 1.985 0 50 FDAA CC1(C)CCN(Cc2cn(C[C@@H]3CCCN(S(C)(=O)=O)C3)nn2)C1 23153664 CCKCKAVEKXTOHO-AWEZNQCLSA-N 355.508 1.182 0 50 FDAA CCS(=O)(=O)N1CCC[C@H](C(=O)NCCOc2ccccc2Cl)C1 67604964 URWRXQWJZXKVMV-ZDUSSCGKSA-N 374.890 1.897 0 50 FDAA NC(=O)c1ccc(CN2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)cc1 67714629 ZCYLQEFJGJEQKI-DLBZAZTESA-N 354.406 1.865 0 50 FDAA O=C1CCCN1CC1CCN(C(=O)c2ccc(N3CC[C@@H](O)C3)nc2)CC1 67459534 YDHHPVUMLRDVEJ-QGZVFWFLSA-N 372.469 1.127 0 50 FDAA CN1C[C@@H](Nc2nc(-c3ccccn3)nc3c2CCNCC3)CCC1=O 65528678 PRGWEFXRCPHVKW-ZDUSSCGKSA-N 352.442 1.260 0 50 FDAA Nc1nc(NCCO)cc(N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)n1 67805524 JOJJGCBXJKJTSE-GFCCVEGCSA-N 353.430 1.723 0 50 FDAA CCN(C)C(=O)Cn1c(-c2ccco2)nn(-c2ccccc2OC)c1=O 77343731 HWRAKWSQMWFXFU-UHFFFAOYSA-N 356.382 1.781 0 50 FDAA Cc1c(CNC(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)cnn1C 122487279 JTZPAIJSGSSQTH-KRWDZBQOSA-N 350.463 1.988 0 50 FDAA Cc1nn(CC(=O)NC[C@H]2CCCO2)c(C)c1I 4726617 XSPKBHFZIOSPER-SNVBAGLBSA-N 363.199 1.400 0 50 FDAA COc1ccc(Cn2ccc3nc(N4CCOCC4)ncc3c2=O)cc1 35655407 SNHSJXUWJJWJNB-UHFFFAOYSA-N 352.394 1.685 0 50 FDAA NC(=O)c1ccc(S(=O)(=O)N2C[C@H](c3ccsc3)[C@@H](CO)C2)cc1 328614447 WCMMCTPFBGBPHY-UKRRQHHQSA-N 366.464 1.244 0 50 FDAA C[C@@H](NS(=O)(=O)c1cnn(C2CCOCC2)c1)c1ccncc1F 328743740 ONJXCUYGHCNTID-LLVKDONJSA-N 354.407 1.808 0 50 FDAA CN(C(=O)C1CC1)c1ccccc1C(=O)N1CCC[C@H](c2nc(O)n[nH]2)C1 329057467 INKJWFVNNYBXHT-ZDUSSCGKSA-N 369.425 1.903 0 50 FDAA CN1C(=O)C[C@@H](CNC(=O)c2cc3ccccc3[nH]2)[C@@H]1c1cnn(C)c1 365242001 IFNOWFGPLFZYNC-SCLBCKFNSA-N 351.410 1.851 0 50 FDAA CCc1nc(N)sc1C(=O)N1CCC[C@]2(CCC(=O)N(CCO)C2)C1 77320486 TWWKIPXGPWTACT-QGZVFWFLSA-N 366.487 1.125 0 50 FDAA O=C1CCc2cc(NS(=O)(=O)c3cn[nH]c3)ccc2N1CC(F)F 366350642 TZGVTJJCCYOHHV-UHFFFAOYSA-N 356.354 1.755 0 50 FDAA CCO[C@H]1C[C@H](NCc2nnnn2CC2CCOCC2)C12CCOCC2 367567925 YEVGQDKAIUTBTG-HOTGVXAUSA-N 365.478 1.164 0 50 FDAA CCN1CCN(Cc2cnc(N3CCCC3)s2)[C@H]2CS(=O)(=O)C[C@H]21 77564816 XCZBPBUCRNIZCX-CABCVRRESA-N 370.544 1.046 0 50 FDAA O=C(NCc1cn2cccnc2n1)c1cn(CCCc2ccccc2)nn1 72151354 TZLWIZCWWZWJOZ-UHFFFAOYSA-N 361.409 1.884 0 50 FDAA Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N1C[C@H](C)C[C@@H](O)C1 332432838 FUVAAVXYHCCFPT-IUODEOHRSA-N 352.456 1.378 0 50 FDAA CC(C)c1nc(NCCCN2CCC(C(N)=O)CC2)c2cnn(C)c2n1 72160965 KWCPTLSKKFBRPJ-UHFFFAOYSA-N 359.478 1.486 0 50 FDAA CN(C)c1ccncc1C(=O)N1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 284588449 IVANUCSGHKYOQK-OAHLLOKOSA-N 356.430 1.537 0 50 FDAA Cc1nc2c(c(O)nn2C)c(C)c1CCC(=O)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 333806700 HGIJLSZPPBCSEE-QKPAOTATSA-N 368.437 1.635 0 50 FDAA Cc1ncsc1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(N)=O)cc1 219271317 XZAOGVUQXCFJQN-ZIAGYGMSSA-N 361.423 1.517 0 50 FDAA COC(=O)c1sc2[nH]c(C)nc(=N[C@@H]3CCC(=O)N[C@H]3C3CC3)c2c1C 376438469 YUJVIXPCUHYKPI-RISCZKNCSA-N 374.466 1.986 0 50 FDAA Cn1cccc1C(=O)C(=O)N1CCn2nc([C@@H](O)c3ccccc3)cc2C1 219742222 NVMPPXOEBUCYTL-SFHVURJKSA-N 364.405 1.528 0 50 FDAA COCc1ccc(C(=O)N2CCC[C@H](c3nnc(CN(C)C)n3C)C2)o1 72421889 RSZCPMSIHRWGDK-ZDUSSCGKSA-N 361.446 1.636 0 50 FDAA COc1ccc(CN2CC[C@@H](Nc3ccc4nc(C)nn4n3)C2=O)cc1 286034397 BEKDSJSMBSZTIK-OAHLLOKOSA-N 352.398 1.654 0 50 FDAA CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1 288446913 STTZSECZMJHULR-DZGCQCFKSA-N 374.359 1.568 0 50 FDAA Cn1cc(N2CCC[C@@H](NC(=O)Nc3ccc4c(c3)oc(=O)n4C)C2)cn1 176095062 SDBJPZFHQBQNGS-CYBMUJFWSA-N 370.413 1.656 0 50 FDAA CC(C)n1cnnc1CCNC(=O)c1ccc(-c2cc(O)nc(N)n2)cc1 426503692 UWHROXQPLGGYJV-UHFFFAOYSA-N 367.413 1.576 0 50 FDAA Cc1c(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)nnn1C1CCNCC1 178361634 GGKBSRRJXMKORM-LLVKDONJSA-N 357.414 1.731 0 50 FDAA C[C@H](NC(=O)c1cc(=O)n(-c2ccccc2)[nH]1)c1cn2ncsc2n1 222573478 KDQHWYYLNQYWCN-JTQLQIEISA-N 354.395 1.761 0 50 FDAA Cc1cc(C(F)(F)F)n2ncc(C(=O)N(CCN(C)C)CC(=O)O)c2n1 426412330 DAVITGZJWPIOFN-UHFFFAOYSA-N 373.335 1.145 0 50 FDAA Cc1ccsc1CN1CCn2nc([C@H](O)CS(C)(=O)=O)cc2C1 230470570 FWBUABMFDIYMNY-CQSZACIVSA-N 355.485 1.347 0 50 FDAA Cc1nccn1Cc1nnc([C@H]2CCCN(C(=O)c3cnccn3)C2)n1C 95370189 XHPSUGPNPDMALO-AWEZNQCLSA-N 366.429 1.178 0 50 FDAA CCc1n[nH]c(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc4c(c3)OCO4)C2)c1C 91793505 KKWPISCMMIJZGG-QWHCGFSZSA-N 371.393 1.950 0 50 FDAA Cc1cccc(-n2nnnc2S[C@@H](C)C(=O)N2CCc3[nH]cnc3C2)c1 95369042 YNKAMHWKKUAHKQ-LBPRGKRZSA-N 369.454 1.759 0 50 FDAA CC1(C(=O)N2CC[C@@]3(O)CCN(c4cc(N)ncn4)C[C@H]3C2)CCCC1 91625314 FAWHPJKWIDRMMA-LIRRHRJNSA-N 359.474 1.429 0 50 FDAA CCCNc1ncc(CN2CCC3(CC2)[C@@H](C(=O)O)CC(=O)N3C)cn1 95375048 KLRFFXXEBYUHTB-CQSZACIVSA-N 361.446 1.196 0 50 FDAA CC(C)CN1CCn2nc(CNC(=O)[C@@H]3COc4ccccc4O3)cc2C1 95385151 MUAVNNKJJVXGOT-IBGZPJMESA-N 370.453 1.811 0 50 FDAA O=C1C[C@H](C(=O)O)C2(CCN(C(=O)Nc3ccc(F)cc3F)CC2)N1 95358999 YFTILIYYGKKSMQ-SNVBAGLBSA-N 353.325 1.552 0 50 FDAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1ccc2c(c1)ncn2CCO 244674031 IABQGFWZHCOFLK-SPYBWZPUSA-N 366.421 1.666 0 50 FDAA O=C(CCN1CCCC1=O)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 244708185 KPFVKJHBQBCNEH-GQIGUUNPSA-N 358.438 1.562 0 50 FDAA Cc1cc(C)n([C@@H]2CCN(CCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)C2)n1 244716047 LHHZBYCTWMIPJP-OAHLLOKOSA-N 368.441 1.945 0 50 FDAA CC1(C)CC(=O)c2c(O)cc(OCC(=O)NCCn3cccn3)cc2O1 253404328 HUEGNLMZBAEITB-UHFFFAOYSA-N 359.382 1.528 0 50 FDAA biogenic NCC[C@@H]1CN(C(=O)c2ccc(-c3csc(C(N)=O)c3)cc2)CCO1 534649253 FPOFIMRIZFEWET-OAHLLOKOSA-N 359.451 1.704 0 50 FDAA CN1CC[C@@H](NC(=O)N2CCCN(C3Cc4ccccc4C3)CC2)C1=O 534584987 XGUOTAZTCAAMIK-GOSISDBHSA-N 356.470 1.102 0 50 FDAA COc1ccc([C@@H]2[C@@H](C(=O)NC3CCOCC3)OCC(=O)N2C2CC2)cc1 1940198419 QKVJSVLSNBOPHC-MOPGFXCFSA-N 374.437 1.421 0 50 FDAA Cc1cc(C(F)(F)F)n(C[C@H](C)CNC(=O)c2cn(C)c(O)nc2=O)n1 299761826 ZGUBZUQOSPPFDQ-MRVPVSSYSA-N 373.335 1.076 0 50 FDAA COC[C@@H]1CCCN(S(=O)(=O)NCC2(N3CCCCC3)CCCC2)C1 824370261 VKMVSHIQOZEZNS-QGZVFWFLSA-N 373.563 1.978 0 50 FDAA COCCN1CC[C@@H](CNS(=O)(=O)c2c(C)cc(C)c3nonc23)C1 824412415 OSPQSAUCWLYTRP-ZDUSSCGKSA-N 368.459 1.086 0 50 FDAA O=C(NCCn1ccnc1)c1cc2cc(C3(O)CCNCC3)ccc2o1 828146908 XEKGFBUMJRGVHQ-UHFFFAOYSA-N 354.410 1.630 0 50 FDAA C[C@H](O)Cc1cn(C2(C(=O)N3CCO[C@H](c4ccccc4)C3)CC2)nn1 1875317897 MBZOZJILIMBESN-YOEHRIQHSA-N 356.426 1.291 0 50 FDAA C=CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCN(C(=O)c3cc(C)no3)C2)C1 1875371038 MONXMSDVIOGCJQ-HUUCEWRRSA-N 374.441 1.128 0 50 FDAA COCC(=O)N1CCO[C@@H](Cc2cn(-c3ccc(C(C)C)cc3)nn2)C1 1875354456 WKGUXEBFOICCFG-SFHVURJKSA-N 358.442 1.807 0 50 FDAA C=CC(=O)NC[C@@H]1CN(C(=O)[C@]2(c3ccccc3)CCCO2)CCCO1 1875386579 ULHJKSNTAJTJQC-YLJYHZDGSA-N 358.438 1.612 0 50 FDAA Cc1cccn2c(CC(=O)NCc3ccc4oc(=O)n(C)c4c3)cnc12 1875326234 NJVSPTXIPSLPSK-UHFFFAOYSA-N 350.378 1.947 0 50 FDAA O=C(NCCCCc1c[nH]nc1C(F)(F)F)c1n[nH]c2c1CNCC2 1875292491 JXRIRNZVSKWZHT-UHFFFAOYSA-N 356.352 1.550 0 50 FDAA Cc1ncc(Cl)c(C(=O)N(C)C[C@H]2OCC[C@H]2c2n[nH]c(C)n2)n1 952887594 AVHSDQYNGRCPGZ-ZYHUDNBSSA-N 350.810 1.510 0 50 FDAA CC(=O)NCc1c[nH]nc1[C@H]1CCN(c2ccc(C(F)(F)F)nn2)C1 952849443 KWDURWZSUXDCPI-JTQLQIEISA-N 354.336 1.849 0 50 FDAA CNC(=O)[C@@H](NC(=O)CCc1nc(-c2ccco2)no1)c1ccccc1 952869573 VIHIEZPPQKPXFO-INIZCTEOSA-N 354.366 1.866 0 50 FDAA Cc1ncnc(C)c1C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 952977188 PBJBQIVIIRJEQL-UHFFFAOYSA-N 370.409 1.583 0 50 FDAA N[C@H]1CC[C@@H](n2cc(C(=O)Nc3ccc(Oc4nn[nH]n4)cc3)nn2)CC1 952979719 RIAZFFIYWHMXQG-KLPPZKSPSA-N 369.389 1.278 0 50 FDAA Cc1c(NCC2(C(N)=O)CCOCC2)nn2c(C(F)(F)F)nnc2c1C 271279966 GGVHLCIFLDTZRL-UHFFFAOYSA-N 372.351 1.454 0 50 FDAA O=C(Nc1ccc(S(=O)(=O)N2CCC[C@H](O)C2)cc1)c1ccccn1 408520935 BYJRVOABDWVYFG-AWEZNQCLSA-N 361.423 1.479 0 50 FDAA C[C@H](O)C[C@H]1CCCCN1C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 279133022 BJHNUUBWQBASQM-HGQUKEQDSA-N 359.426 1.507 0 50 FDAA O=C1CO[C@@]2(CCN(Cc3cccc(OCCCn4ccnc4)c3)C2)CN1 1772804870 DGISEHVYSFBDMJ-FQEVSTJZSA-N 370.453 1.443 0 50 FDAA O=C([C@H](Cc1ccc(O)cc1)c1ccccc1)N1C[C@H]2[C@@H](C1)C2(CO)CO 1775979469 VQVQGTXWLYPQFP-AQNXPRMDSA-N 367.445 1.778 0 50 FDAA Cc1cc(C(=O)NC[C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)no1 11664593 BBGWATCNJRLHTP-GFCCVEGCSA-N 357.414 1.477 0 50 FDAA C[C@H](NC(=O)c1cnc2ccccn2c1=O)c1ccc(-n2cncn2)cc1 14848661 QGYXIXUEACLRHQ-ZDUSSCGKSA-N 360.377 1.766 0 50 FDAA NC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 18250449 SRBDRULTGBZTAB-ZDUSSCGKSA-N 370.236 1.823 0 50 FDAA O=C(/C=C/c1ccccc1)NC[C@@H]1CCC[C@H](NC(=O)c2cnn[nH]2)C1 1857681401 CSGWJNGLMRNAOI-MTQIJDFFSA-N 353.426 1.923 0 50 FDAA Cc1cc(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)no1 1857693308 QVTCHQMZQWNLBK-ROUUACIJSA-N 373.457 1.785 0 50 FDAA O=C1C[C@H](CN2CCC3(CC2)CC(=O)N(Cc2ccccc2)CCO3)CN1 1857694846 YNXYIBZUTWYDQF-SFHVURJKSA-N 371.481 1.406 0 50 FDAA Cc1ccc2oc(N3CCC(C(=O)NCCCc4nn[nH]n4)CC3)nc2n1 1857698910 NMSZDHZKANTSRP-UHFFFAOYSA-N 370.417 1.010 0 50 FDAA CN(C)C[C@@H]1OCCN(C(=O)c2onc3ncccc23)[C@H]1c1cnn(C)c1 1857716237 CTIHBOUINKTZLC-GJZGRUSLSA-N 370.413 1.100 0 50 FDAA COC(=O)c1cncnc1N[C@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857724099 LYWROLIHNLCIHT-YQQAZPJKSA-N 354.410 1.890 0 50 FDAA CO[C@@H]1C[C@@H](C(=O)NCCc2nccc(-c3ccccc3)n2)CC[C@H]1N 1875248536 WLNOSKSEJDILDT-LZLYRXPVSA-N 354.454 1.945 0 50 FDAA CCC[C@]1(CO)CCN(C(=O)c2csc(-c3ncccn3)n2)C[C@H]1O 1875244723 QZNWUQNMLSQRKO-CXAGYDPISA-N 362.455 1.586 0 50 FDAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(c1ccc3ccccc3n1)C2 216198770 MOUVEHZYLMJGKS-CVEARBPZSA-N 352.438 1.750 0 50 FDAA CCn1c(-c2ccco2)nnc1S(=O)(=O)CC(=O)NC1CCCC1 225683934 PTGCFXBFIBFFKF-UHFFFAOYSA-N 352.416 1.391 0 50 FDAA Cc1ccc2oc(N3CCN(C(=O)NCCc4cnn(C)c4)CC3)nc2c1 112389494 QRIGVLRTKXADSO-UHFFFAOYSA-N 368.441 1.944 0 50 FDAA COc1ccc(S(=O)(=O)N(C)C[C@@H]2CCc3nccn3C2)cc1F 328642870 YOEDVORACJCPJW-LBPRGKRZSA-N 353.419 1.914 0 50 FDAA O=C(Cn1cc(-c2ccccc2)nn1)N1CCCC[C@@H]1CN1CCOCC1 137088702 UOGZMXMXOSLTFW-GOSISDBHSA-N 369.469 1.658 0 50 FDAA CC1(C)CN(C(=O)C(=O)N2CC[C@H](N3CCOC3=O)C2)[C@@H]1c1ccccc1 850624324 UNYVHGIWSCXRRU-JKSUJKDBSA-N 371.437 1.649 0 50 FDAA C[C@H]1CN2CCN1C[C@H]2C(=O)NCc1cccc(C(=O)N2CCCCC2)c1 2325769776 LSNYXJPFBSQTMM-LPHOPBHVSA-N 370.497 1.317 0 50 FDAA C[C@H]1CN2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3F)NC(=O)[C@@H]2CO1 2325801403 GMGCDFNOIARRAA-AXTRIDKLSA-N 360.307 1.501 0 50 FDAA Cn1cc(Cl)cc1C(=O)N1CCCN(c2cc3nncn3cn2)CC1 2325827168 YBXOEECUMKOGDI-UHFFFAOYSA-N 359.821 1.469 0 50 FDAA COc1nc2c(cc1C(=O)N1CCc3nc(C4CC4)nn3CC1)CCC2 2356153268 YXVZOINWAMHWQA-UHFFFAOYSA-N 353.426 1.746 0 50 FDAA O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCCC1 3257472 NIUPBCWMUBSHTM-UHFFFAOYSA-N 352.456 1.263 0 50 FDAA CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 6177726 IZDDMHDOAUYUSK-UHFFFAOYSA-N 362.407 1.960 0 50 FDAA CCn1c([C@@H]2CCCN(Cc3cccnc3)C2)nn(CCN(C)C)c1=O 67672890 ZUZNSKWQRKKMEA-QGZVFWFLSA-N 358.490 1.401 0 50 FDAA C[C@H](Cc1cnccn1)NC(=O)CC(=O)NC12CC3CC(CC(C3)C1)C2 55224627 LTKHUMPXHCXVPW-XXWNAHEMSA-N 356.470 1.999 0 50 FDAA O=C1NCCN(C(=O)c2ccc(-n3cnnc3)cc2)[C@@H]1c1ccc(F)cc1 65371682 FHKFSRZALZYOLG-QGZVFWFLSA-N 365.368 1.720 0 50 FDAA Nc1ncccc1CNC[C@]1(O)CCCN(CCCc2ccccc2)C1=O 67965860 FWVMHYBKMPBDAZ-OAQYLSRUSA-N 368.481 1.740 0 50 FDAA CCN1CCN(C2(C(=O)N3CCC[C@H](OC)C3)Cc3ccccc3C2)CC1 20540101 ZRNBXNWPAVWTRI-FQEVSTJZSA-N 371.525 1.799 0 50 FDAA Cc1n[nH]c(C)c1C[C@@H](C)NCC1CCN(c2cnn(C)c(=O)c2)CC1 23311288 PEIOBYVJLVNWJQ-CYBMUJFWSA-N 358.490 1.557 0 50 FDAA CCCc1nc(C(=O)N2CCC[C@@H](Cn3cc(C(=O)O)nn3)C2)cs1 65431404 MBKLVQGBBKPLEP-LLVKDONJSA-N 363.443 1.938 0 50 FDAA O=C(C[C@H](c1ccsc1)n1cnnn1)N1CC[C@@]2(O)CCCC[C@@H]2C1 409415274 YTTYFIUJBXLRCK-INMHGKMJSA-N 361.471 1.868 0 50 FDAA Cc1ccc(N2CCC([C@@]3(c4cccnc4)NC(=O)NC3=O)CC2)nn1 67955356 QGJLSTKCMMLORG-SFHVURJKSA-N 352.398 1.131 0 50 FDAA CCOC(=O)CSC1=N/C(=C/c2cnn(C)c2)C(=O)N1CCCOC 2786117 PVWCDAOGPSINFL-MDWZMJQESA-N 366.443 1.292 0 50 FDAA O=C(NCCn1ncc2ccccc2c1=O)[C@H](O)c1cccc(Cl)c1 219611469 RSNHNDWXTDRWQC-MRXNPFEDSA-N 357.797 1.900 0 50 FDAA O=C(CCn1c(=O)[nH]c2ccccc21)N[C@H]1CCCN(c2cnccn2)C1 214965431 YAFJFQWSDRBJOO-AWEZNQCLSA-N 366.425 1.295 0 50 FDAA NC(=O)c1ccc(O[C@@H]2CCOC[C@H]2NC(=O)Cc2ccccn2)cc1 219297578 IKHILBVGDZPYEE-IAGOWNOFSA-N 355.394 1.076 0 50 FDAA C[C@@H]1CN(C(=O)c2oc3ccccc3c2CS(C)(=O)=O)C[C@@H](C)N1 153683635 BKZTZPFTXAWTEZ-VXGBXAGGSA-N 350.440 1.800 0 50 FDAA C[C@H](C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)c1cncnc1 330283968 WVIYTBZXQALVQQ-ZDUSSCGKSA-N 368.393 1.293 0 50 FDAA CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@H](C)C(F)(F)F)CC1 331028244 WPGPHCXZQMGDKT-NSHDSACASA-N 360.398 1.084 0 50 FDAA O=C1CC[C@H](NC(=O)c2ccnn2-c2ccccc2)[C@H]([C@H]2CCCO2)N1 365991520 IATKOWBCMWIYKT-YXJHDRRASA-N 354.410 1.428 0 50 FDAA CN1C[C@@H](C(=O)Nc2nn(C)c3cccc(Oc4cccnc4)c23)NC1=O 72472879 ONWCPUWPLVFYRM-LBPRGKRZSA-N 366.381 1.723 0 50 FDAA Cc1nn(C)c(C)c1[C@H]1[C@H](NC[C@H](O)Cc2ccccc2)CC(=O)N1C 328614238 ACNJTMAZFTWDIB-MBOZVWFJSA-N 356.470 1.502 0 50 FDAA CCCn1ccnc1CN1CCN(Cc2ccc3c(c2)OCO3)C(=O)C1 216233535 GXTUCQZQKKDVIF-UHFFFAOYSA-N 356.426 1.866 0 50 FDAA Cc1ccc(NC(=O)[C@H]2CNCCN2C(=O)Cc2ccc(F)cc2C)cn1 72167668 SEEDSUMQQAQXIR-GOSISDBHSA-N 370.428 1.819 0 50 FDAA NC(=O)c1c[nH]c2ccc(NC(=O)CCc3cc4n(n3)CCNC4)cc12 72412183 WOADXMMTJIQDRP-UHFFFAOYSA-N 352.398 1.138 0 50 FDAA Cn1c(S)nc2cc(C(=O)N[C@@H]3CCO[C@@H](C4CC4)C3)ccc2c1=O 157029223 WYRZNNANMYHJMX-IUODEOHRSA-N 359.451 1.910 0 50 FDAA CCC(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(CCOC)c1 372829079 CZKUUWUHUKJZFN-SUMWQHHRSA-N 350.463 1.744 0 50 FDAA O=C(NCCN1CCCCC1)c1cc(N2CCCN3CCC[C@H]3C2)ccn1 71759666 APEFWKZZDJBGCN-IBGZPJMESA-N 371.529 1.972 0 50 FDAA COc1cccc(C2(NS(=O)(=O)c3ccnn3C)CCOCC2)c1F 333351415 VWNXDWYVZLRXBZ-UHFFFAOYSA-N 369.418 1.552 0 50 FDAA Cn1nnc(-c2ccc(C(=O)N3CCC[C@H](N4CCCC4=O)C3)cc2)n1 71755461 HMBGISMKXCIVMP-HNNXBMFYSA-N 354.414 1.104 0 50 FDAA CN(Cc1ncnn1CC(F)F)S(=O)(=O)c1ccc(C(=O)O)cc1 447155086 WCWPAPBRBOOLFI-UHFFFAOYSA-N 360.342 1.062 0 50 FDAA Cn1cnc2cc(C(=O)N[C@H]3CC(=O)N(Cc4ccc(F)cc4)C3)cnc21 72147778 FMKHVXSQLCQPSK-HNNXBMFYSA-N 367.384 1.638 0 50 FDAA CCCN(C)C(=O)C[C@@H]1COCCN1C(=O)COc1ccccc1OC 72463303 FOQFGQXPQKPSSX-OAHLLOKOSA-N 364.442 1.560 0 50 FDAA NC(=O)NCCC[C@H](N)C(=O)N1CCC(Cc2ccc(F)cc2)CC1 77356081 SOZAMLLKCYPMLK-INIZCTEOSA-N 350.438 1.383 0 50 FDAA COc1cc(Cl)cc(C(=O)N2CCNC[C@H]2C(=O)N2CCCC2)c1 72150947 DOOQAJYKTDMASP-HNNXBMFYSA-N 351.834 1.385 0 50 FDAA CC(=O)N1CCC[C@@](O)(C(=O)NCc2cccc(Br)c2)C1 285441519 JZZHCHVUNASFJM-HNNXBMFYSA-N 355.232 1.439 0 50 FDAA COC(=O)[C@@H]1CCN2C(=O)N(c3cc(F)c(OC)cc3OC)C(=O)[C@@H]2C1 285887011 DRANOSNQFIGDJE-SKDRFNHKSA-N 366.345 1.563 0 50 FDAA Cc1ccn2ncc(C(=O)N[C@H]3CCCN(C(=O)N4CCCC4)C3)c2n1 288463338 OICKSXJPYCGRRF-AWEZNQCLSA-N 356.430 1.448 0 50 FDAA COCc1nn2c(nnc3c(=O)n(NC(C)=O)ccc32)c1-c1ccccc1 40391307 RYBYTGGPBYARMQ-UHFFFAOYSA-N 364.365 1.343 0 50 FDAA CC(C)c1cc(C(N)=O)c(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)s1 225755448 VDHKLNURAYLARL-IQIPOGNMSA-N 352.412 1.787 0 50 FDAA CS(=O)(=O)C[C@H](O)c1cc2n(n1)CCN(Cc1ccc(F)c(F)c1)C2 221186950 PHIPCYOFWAFCOZ-INIZCTEOSA-N 371.409 1.255 0 50 FDAA O=C(C[C@@H]1CCCOC1)NC1CCN(S(=O)(=O)c2ccccc2)CC1 426534410 GJMUSYAGFQYUEP-HNNXBMFYSA-N 366.483 1.773 0 50 FDAA COC(=O)c1cc(-c2cccc(C(=O)N3CC[C@@H](NC(C)=O)C3)c2)c[nH]1 426380701 SIYAHYGNBHFZJG-MRXNPFEDSA-N 355.394 1.819 0 50 FDAA CCN1Cc2ccccc2C[C@H]1C(=O)NCCc1nc(C(=O)O)cs1 221437320 JIHUJSYJIPPPPG-HNNXBMFYSA-N 359.451 1.947 0 50 FDAA O[C@@H](COc1cccc(CN2CCC(F)(F)CC2)c1)CN1CCOCC1 95508397 MNQQDRDLNDRLGS-QGZVFWFLSA-N 370.440 1.990 0 50 FDAA CN(C[C@@H]1COc2ccccc2O1)C(=O)CN1C(=O)COc2cccnc21 95526764 SVYNMYYBNPHNNB-CYBMUJFWSA-N 369.377 1.105 0 50 FDAA COc1ccccc1C(=O)N1CCN(C(=O)CCc2ccnn2C)CC1 97547554 FQQLBZOXNNBUAK-UHFFFAOYSA-N 356.426 1.346 0 50 FDAA O=C(C1CCOCC1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 91782132 VLXWCXHFBYGYGR-UHFFFAOYSA-N 372.469 1.449 0 50 FDAA O=C(Cn1ccc([C@H]2CCCNC2)n1)N1CCC(C(=O)N2CCCC2)CC1 426689323 UXPHTVSYKOCXRS-KRWDZBQOSA-N 373.501 1.211 0 50 FDAA CN1C(=O)[C@@H](c2ccccc2)CC12CCN(S(=O)(=O)N(C)C)CC2 97797697 ONKBZWXWJVNFKT-OAHLLOKOSA-N 351.472 1.273 0 50 FDAA Cc1cc(C)c2c(CC(=O)N3CC[C@H](CS(N)(=O)=O)C3)coc2c1 426387663 LOERJPBDVAUCDX-ZDUSSCGKSA-N 350.440 1.729 0 50 FDAA Cc1cnc2c(C(=O)NC[C@H](O)COc3ccc(Cl)cc3)cnn2c1 97619534 SSDBTLRHGJSTJB-ZDUSSCGKSA-N 360.801 1.861 0 50 FDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ncoc1CC)CC2 91617114 CVYTUTQTNXOABV-UHFFFAOYSA-N 371.441 1.886 0 50 FDAA O=C(Cn1cnc2ccccc2c1=O)NCc1ccccc1-n1cncn1 91876606 HGWZEEIVAZHQCP-UHFFFAOYSA-N 360.377 1.294 0 50 FDAA O=C(NCc1cccnc1)c1ccc(S(=O)(=O)N[C@H]2CCOC2)cc1 91391028 WESKMKHQXKBCBK-HNNXBMFYSA-N 361.423 1.079 0 50 FDAA Cc1cc(C)nc(CN(C)C(=O)c2cnc(N3CCN(C)CC3)nc2C)c1 97272545 DVFSPNGVVPIXAH-UHFFFAOYSA-N 368.485 1.821 0 50 FDAA OC[C@H]1CN(Cc2c(F)ccc(Cl)c2F)C[C@H]1CN1CCOCC1 91934188 GFRNHQFZDWHTGB-CHWSQXEVSA-N 360.832 1.991 0 50 FDAA CCn1nc(C)c(CCNC(=O)[C@@H]2CCCN(C(=O)COC)C2)c1C 95368792 QTVFIUQTPLQTFX-OAHLLOKOSA-N 350.463 1.064 0 50 FDAA O=C(Cn1cccnc1=O)N1CCC(c2nccn2CC2CCC2)CC1 91550928 JWHOXBQDHRFWHI-UHFFFAOYSA-N 355.442 1.646 0 50 FDAA COc1cccc2c1OC[C@H](CNC(=O)c1ccccc1-c1nnn[nH]1)C2 95379362 NXGVIQVHCSSUKE-LBPRGKRZSA-N 365.393 1.856 0 50 FDAA Cc1ccc2[nH]c([C@H]3CCCN(C(=O)Cc4cc(=O)[nH][nH]c4=O)C3)nc2c1 244882676 XWJNAXFEJNAYFY-LBPRGKRZSA-N 367.409 1.197 0 50 FDAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1cnc2ccccn2c1=O 244718899 LSXQPYPGDXCZER-PBFPGSCMSA-N 350.378 1.332 0 50 FDAA O=C(CSc1ccccc1)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1O 244716305 LMSVKCCELFCDDX-QZTJIDSGSA-N 357.479 1.925 0 50 FDAA CC(=O)N[C@@H]1[C@H](Oc2cc(C)ccc2C)O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O 245232632 YSVLWEZRMAGNEW-MDMSPXHWSA-N 365.426 1.424 0 50 FDAA CN(Cc1cc(-c2ccccn2)no1)Cc1nnc([C@H]2C[C@@H](N)C2)n1C 244716076 LHUUXZYSRWNPKP-BETUJISGSA-N 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Cn1cc(-c2ccnc(N3CCC([C@H](O)c4nccn4C)CC3)n2)cn1 82039364 QODGUFGIFHJXOY-INIZCTEOSA-N 353.430 1.561 0 50 FDAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)Cn2ccc3ccccc32)CN1C 96138679 VTGJXFGWKCDDIY-AEFFLSMTSA-N 356.470 1.699 0 50 FDAA CCc1nccn1CCC(=O)NCC[C@H]1CCCCN1S(C)(=O)=O 299796358 RGVLVLUBNDSVDV-CQSZACIVSA-N 356.492 1.156 0 50 FDAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)c1cc(=O)n(-c3ccccc3)[nH]1)CC2 299773577 DHFLQYYKACDEPW-URLQWDBASA-N 357.410 1.310 0 50 FDAA CN(CC(=O)N1CC[C@H]2OCc3cnnn3[C@H]2C1)Cc1ccccc1F 299792071 DMMYAVFENHKVNB-DLBZAZTESA-N 359.405 1.221 0 50 FDAA CCN1CCC[C@H](CN2CCn3nc(CNc4cnccn4)cc3C2)C1 299767656 JFFQKWJKXQYNDG-INIZCTEOSA-N 355.490 1.833 0 50 FDAA NC(=O)Cc1nc(C2(Cn3ccnc3)CC2)n(-c2cccc3c2CCC3)n1 826842352 PWKOLFOKIYEPNT-UHFFFAOYSA-N 362.437 1.712 0 50 FDAA CC(C)N1CCO[C@@H](CC(=O)NCC2CCN(Cc3ncc[nH]3)CC2)C1 827812456 MJENHNXIEDFEQL-KRWDZBQOSA-N 363.506 1.237 0 50 FDAA O=C(c1ccoc1)N1CCC2(CC1)CN(C(=O)c1cccnc1O)CCO2 828188875 IQOOIXZRLUSRRN-UHFFFAOYSA-N 371.393 1.528 0 50 FDAA CN1C[C@H](CNC(=O)N2CCC(OCc3ccccc3)CC2)OCC1=O 584903731 HLCWXXQBJPJIBT-KRWDZBQOSA-N 361.442 1.234 0 50 FDAA Nc1nc(CCCNC(=O)C2CCN(C(=O)c3ccccn3)CC2)cs1 670449469 LOHOYTACMJHYQP-UHFFFAOYSA-N 373.482 1.722 0 50 FDAA CCC(=O)N[C@@H](C(=O)N1CC2(CC(=O)Nc3nccn32)C1)c1ccccc1 1875286652 ZGPQEMNMUGATBX-MRXNPFEDSA-N 367.409 1.030 0 50 FDAA C[C@@H]1CCN(C(=O)c2ccc(N(C)C)cc2)[C@@H]1CNC(=O)[C@@H]1CCOC1 1875349852 PPQPVURRTIIYLF-QGPMSJSTSA-N 359.470 1.756 0 50 FDAA CCn1c(C[C@@]2(O)CCCN(C(C)=O)C2)nnc1N(C)c1ccccc1 952887239 MDLGHQYHHCOKNV-IBGZPJMESA-N 357.458 1.982 0 50 FDAA Cc1nc([C@@H]2CCO[C@@H]2CN(C)C(=O)c2nn(C)c(C)c2Cl)n[nH]1 952886252 KCIDOFVCODRWSK-GHMZBOCLSA-N 352.826 1.453 0 50 FDAA COCCn1nc(C(=O)N2CCn3nccc3C2)c2c1[C@H](C)O[C@H](C)C2 1875403956 MWQFYOALLYKGSR-OLZOCXBDSA-N 359.430 1.404 0 50 FDAA NC(=O)CN1CCC[C@@H](C(=O)N2CCC[C@@H](c3nccn3CC3CC3)C2)C1 952869054 LWBXRQXQFPEFBV-IAGOWNOFSA-N 373.501 1.196 0 50 FDAA CC(C)CN1CCN(S(=O)(=O)c2ccc3nc[nH]c3c2)C[C@H]1CCO 952989630 WPZCTGYKSAYCCM-CQSZACIVSA-N 366.487 1.276 0 50 FDAA COCC(=O)N1CCCc2ccc(NC(=O)[C@]3(COC)CCOC3)cc21 888032284 ARYYNHFMOUVEEF-IBGZPJMESA-N 362.426 1.604 0 50 FDAA Cn1cc(CCC(=O)N[C@H]2CCOC[C@@H]2OCc2cscn2)cn1 1565516637 QOWCPZOLINHBQQ-GJZGRUSLSA-N 350.444 1.300 0 50 FDAA O=C(N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N1CCCCC1)c1ccccc1-c1nn[nH]n1 1565529489 JDSXUUBKTCRPDM-YVSFHVDLSA-N 368.441 1.238 0 50 FDAA COc1ccccc1C[C@@H](C)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 275726437 ZJDCVJFJNQGZOA-NVXWUHKLSA-N 356.470 1.979 0 50 FDAA CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1c[nH]nc1[C@@H]1CCOC1 275983946 NNHCWSGXTODIOH-SECBINFHSA-N 357.336 1.938 0 50 FDAA CCN(CC(=O)O)C1CCN(C(=O)[C@@H](C)Oc2cccc(F)c2)CC1 186640066 HQUAKGCAHBNBEC-CYBMUJFWSA-N 352.406 1.991 0 50 FDAA CCn1cc(S(=O)(=O)N2CCN(c3cncc4ccccc34)CC2)cn1 278602851 BGEJSLCOGVUJNF-UHFFFAOYSA-N 371.466 1.962 0 50 FDAA CN(C)c1ccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)nc1 170595952 IRBCBGGQXUCECQ-UHFFFAOYSA-N 355.350 1.518 0 50 FDAA c1nc2nc(N3CC[C@]4(CCOC4)C3)cc(N3CC[C@@]4(CCOC4)C3)n2n1 170603450 LPYSLZXQRGLART-RBUKOAKNSA-N 370.457 1.358 0 50 FDAA CCC1=NO[C@@H](CN2CCCN(S(=O)(=O)N3CCCCC3)CC2)C1 1506405743 HADVQZUTEHJYGU-MRXNPFEDSA-N 358.508 1.280 0 50 FDAA O=C(c1ccc(C(F)(F)F)nc1)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704354294 AGWRUMLTFLTXAH-DGCLKSJQSA-N 352.316 1.566 0 50 FDAA COc1cccc(S(=O)(=O)N2CCC(c3ccn(C)c(=O)c3)CC2)c1 1772813980 CZSYLQSXPWZQSU-UHFFFAOYSA-N 362.451 1.962 0 50 FDAA COc1cccc2c1NC(=O)C[C@@H]2C(=O)NCc1[nH]nc2ncccc12 1772816581 WGYVJVLSENAWPK-LBPRGKRZSA-N 351.366 1.709 0 50 FDAA Cc1ocnc1C(=O)N1CCCN(C(=O)c2nn(C)c3ccccc23)CC1 1772703578 OHNVWQFQMIJLJT-UHFFFAOYSA-N 367.409 1.858 0 50 FDAA CCS(=O)(=O)N1CCCN(C(=O)c2ccc3scnc3c2)CC1 1775981993 FVPUQCLSNJPNMQ-UHFFFAOYSA-N 353.469 1.794 0 50 FDAA O=C(c1cn(CC(=O)N2CCC([C@H](O)CO)CC2)c2ccccc12)C1CC1 1772709597 LGSDFCVTRQCNBF-LJQANCHMSA-N 370.449 1.826 0 50 FDAA O=C1[C@@H]2CSCN2C(=O)[C@H]2CN(Cc3ccc(Cl)cc3)CCN12 14751833 YBXOJHLSDJBIDI-KGLIPLIRSA-N 351.859 1.268 0 50 FDAA C[C@@H]1NC(=O)[C@H]2CN(Cc3cnn(-c4cccc(Cl)c4)c3)CCN2C1=O 14751875 PBFLBKAAWYJHNN-BLLLJJGKSA-N 373.844 1.057 0 50 FDAA O=C(C[C@H]1NC(=O)c2ccccc21)NCc1cccnc1N1CCOCC1 14950949 JLRRCRFBJUYCDX-QGZVFWFLSA-N 366.421 1.409 0 50 FDAA COc1ccccc1NC1=N[C@@]2(N=C(N)N1)C(=O)N(C)c1ccccc12 19327589 YOFYVEWIDRCGHN-GOSISDBHSA-N 350.382 1.210 0 50 FDAA O=C(c1n[nH]c(=O)c2ccccc12)N1CCc2nc[nH]c2[C@@H]1c1ccccn1 19781563 LRTYJKMJMRONLU-SFHVURJKSA-N 372.388 1.829 0 50 FDAA Cc1cc(-c2nnc3n2C[C@]2(CCN(C(=O)C4CCOCC4)C2)OC3)no1 1857682297 UXQJBKQZDHMXAH-GOSISDBHSA-N 373.413 1.169 0 50 FDAA Cn1ccnc1CNC(=O)C[C@H]1CCCN(c2nc3ncccc3o2)C1 1857695309 DHTUGBRBNBDRAS-CYBMUJFWSA-N 354.414 1.879 0 50 FDAA O=C(c1nnc2n1CCCC2)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 209920405 JFGOZJIQSCYQLR-KGLIPLIRSA-N 370.409 1.334 0 50 FDAA Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)Cc2nccc(N)n2)cs1 328606101 QLYMQTJLWYDELW-JSGCOSHPSA-N 350.467 1.868 0 50 FDAA C[C@@H]1C[C@H](N)CCN1C(=O)CCCCOc1ccc(S(C)(=O)=O)cc1 237381824 VMZIMONAORZYFD-HUUCEWRRSA-N 368.499 1.977 0 50 FDAA CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCCN2)c1 237434120 QROIWSPWGCEUGV-SNVBAGLBSA-N 366.892 1.164 0 50 FDAA Cc1nc(N)sc1C(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccn1 248046043 QNFNUHDWOIGPOB-OCCSQVGLSA-N 371.466 1.692 0 50 FDAA CCc1ccc(CN2C[C@@H]3OC(=O)N(CCCN4CCOCC4)[C@@H]3C2)cc1 252310989 RUZYIDRMRVLWAD-UXHICEINSA-N 373.497 1.976 0 50 FDAA O=C(Nc1cccc(C(=O)N2CCOC[C@H]2C(=O)O)c1)c1cccs1 361974789 QGHMCZOWKHGDAM-ZDUSSCGKSA-N 360.391 1.926 0 50 FDAA O=C(O)C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)CCO1 262782577 NJTXGDBEUYWLAL-CMPLNLGQSA-N 368.336 1.020 0 50 FDAA CCCCN1C[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1C(=O)OCC)C2 1704310284 QSIOZGBIYLBYJL-KGLIPLIRSA-N 364.446 1.159 0 50 FDAA COc1ccc(OC)c(C2=NO[C@H](C(=O)NCc3cnc(C)nc3N)C2)c1 843884085 OZGWFWKRAUKHSV-INIZCTEOSA-N 371.397 1.194 0 50 FDAA CCCc1ccccc1OCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C 3899535 MXZGLMMIFOXWDY-UHFFFAOYSA-N 371.441 1.414 0 50 FDAA biogenic Cc1cc(=O)cc(C(=O)N[C@H]2C[C@H](C(=O)N3CCC(C)CC3)C[C@@H]2O)o1 2100540066 BUIKZSRQRFYOJS-BPUTZDHNSA-N 362.426 1.076 0 50 FDAA NC(=O)Cc1nc(-c2cc(-c3ccccc3F)[nH]n2)n([C@H]2CCOC2)n1 2100541247 XRIBMAPBDGHMTJ-JTQLQIEISA-N 356.361 1.464 0 50 FDAA CC(C)C(=O)N1CC[C@H](NC(=O)NC[C@H]2CC(=O)N(c3ccccc3)C2)C1 2325776079 HMIPTAXQWQJSJL-CVEARBPZSA-N 372.469 1.596 0 50 FDAA CN(C)Cc1nc2ccc(NC(=O)c3cn(C[C@H]4CCOC4)nn3)cc2[nH]1 2325879606 ANFCRTLMWKXAJY-GFCCVEGCSA-N 369.429 1.505 0 50 FDAA CCc1ccc([C@@H](C)NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 125041187 VZZSYWOGQSPDKG-APWZRJJASA-N 373.497 1.607 0 50 FDAA CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 807187 OUDNXTWITBCPIW-DZGCQCFKSA-N 370.471 1.437 0 50 FDAA CCOc1ccc(C(=O)C[C@]2(O)C(=O)N(CC(N)=O)c3ccccc32)cc1 1050958 VEXIHEVFXSFJRW-HXUWFJFHSA-N 368.389 1.378 0 50 FDAA COc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1 1202532 AEUIFIZEIBNQIQ-UHFFFAOYSA-N 374.462 1.771 0 50 FDAA CN(C)[C@H]1CC[C@@H](CNC(=O)[C@@H](Cc2ccccc2)n2cnnn2)CC1 2356154741 HZQZWKFXCDUSIA-FGTMMUONSA-N 356.474 1.694 0 50 FDAA O=C(NCc1nnc2n1CCC2)c1cc2c(s1)C1(CCNCC1)OCC2 2356165700 GTJLPKKKCSPMCQ-UHFFFAOYSA-N 373.482 1.367 0 50 FDAA CN1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 54460098 PXJFBMSBTYZJJS-CYBMUJFWSA-N 371.528 1.359 0 50 FDAA CCOc1cc(CN2CCC(=O)[C@@H](C)C2)nc2nc(C(F)(F)F)nn12 225423012 KWCNMAJKIDDFDG-VIFPVBQESA-N 357.336 1.953 0 50 FDAA Cn1c(=O)c2c(nc(S)n2Cc2cccc(C(F)(F)F)c2)n(C)c1=O 100597322 FIKBJHMBMNFSBL-UHFFFAOYSA-N 370.356 1.790 0 50 FDAA biogenic Cc1nc(C2CCNCC2)cc(N2CCN(CC(C)C)[C@@H](CCO)C2)n1 106692417 UVJOUBYBMRVKDN-SFHVURJKSA-N 361.534 1.781 0 50 FDAA Cc1ccccc1[C@@]1(O)CCN(C(=O)CSc2nnc(N)s2)C1 55368876 SRLCCKZVODYROI-OAHLLOKOSA-N 350.469 1.641 0 50 FDAA CCn1ncnc1NC(=O)c1ccc(CN2CC[C@@H](NC(C)=O)C2)cc1 65426638 SOCJRLRHVNOXTL-MRXNPFEDSA-N 356.430 1.261 0 50 FDAA COc1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1OC 20259112 TZCPALNCOZRZIG-UHFFFAOYSA-N 350.440 1.684 0 50 FDAA Cc1nc2c(c(N3CCC(N4CCC[C@H](CO)C4)CC3)n1)CCNCC2 63882304 MGUCVWKXOPRZCO-INIZCTEOSA-N 359.518 1.146 0 50 FDAA CC(C)C[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1nnc2n1CCNCC2 67446875 BRPDJFVEAPGXKU-CQSZACIVSA-N 357.462 1.153 0 50 FDAA Cc1cccc(N2CCN(c3nccc(N4CC[C@@H](O)C4)n3)CC2)c1C 65460865 VUNOYFWJQHTNOY-QGZVFWFLSA-N 353.470 1.991 0 50 FDAA CC(=O)Nc1ccc(C(=O)N2CCC3(CC2)CN(C)CCN3C)c(C)c1 67946221 UADBCNXWICUBGX-UHFFFAOYSA-N 358.486 1.805 0 50 FDAA Cn1nc(C(C)(C)C)cc1NC(=O)Cn1cc(-c2ccnc(N)n2)cn1 63857057 QQSZPTBHJXAFDG-UHFFFAOYSA-N 354.418 1.592 0 50 FDAA CS(=O)(=O)c1cc(C(=O)N2CC[C@H](C(=O)O)C2)c(Cl)cc1Cl 328590432 ONDUZSBXEOGPCJ-ZETCQYMHSA-N 366.222 1.944 0 50 FDAA C[C@@H](c1ccccn1)N1CCC[C@@H](n2ncc(N3CC[C@H](O)C3)cc2=O)C1 328604454 JZMISBQXGANVEM-JZXOWHBKSA-N 369.469 1.607 0 50 FDAA CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)Cc1ccn(C)n1)CC2 328654179 XHJVURWMJHDRFJ-HNNXBMFYSA-N 359.499 1.932 0 50 FDAA CCc1c(C)nn(CCNC(=O)Cn2cnc3ccccc3c2=O)c1C 219763312 JSYABSWSHUUWOZ-UHFFFAOYSA-N 353.426 1.589 0 50 FDAA CCOCCn1nc(C)cc1C(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1 218926319 WCVNYXOCNLQLAP-NVXWUHKLSA-N 374.441 1.589 0 50 FDAA CC1=NN(C(=O)CCn2cc(Br)c(C)n2)[C@](O)(C(F)F)C1 6527444 GBHCDHGCUUVOCJ-GFCCVEGCSA-N 365.178 1.906 0 50 FDAA Cc1cc(N2CC[C@@H](NS(=O)(=O)CC34CCC(CC3)C4)C2=O)n(C)n1 329674487 TYHJGCVJMFKGJE-XOYHFGRZSA-N 366.487 1.334 0 50 FDAA CCN(CC)CCC(=O)N1CCC(c2nnc(CN(C)C)n2C)CC1 77470786 VBUGVFOWJVQAFY-UHFFFAOYSA-N 350.511 1.315 0 50 FDAA CC(C)[C@@H](N)C(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1 71708158 ITBVOCMVLZILOH-MRXNPFEDSA-N 354.458 1.473 0 50 FDAA Cc1nn(CCC(=O)N2CCC3(CC2)C[C@H](C(=O)O)N(C)C3)c(C)c1C 72145496 LPTVPEQDAFQLNW-MRXNPFEDSA-N 362.474 1.596 0 50 FDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(c3ccnc(C)n3)CC2)C1 71614972 QFCYMRGBGTVUGL-MRXNPFEDSA-N 361.490 1.228 0 50 FDAA Cn1ncc(N2CCN(C(=O)CCCOc3ccccc3)CC2)cc1=O 219890211 ZJZJFOSYWNTTOK-UHFFFAOYSA-N 356.426 1.288 0 50 FDAA C[C@@H](Cc1cccnc1)NC(=O)c1ccc(C(=O)N2CCOCC2)cc1 219359031 FSVZESVXTJWQQA-HNNXBMFYSA-N 353.422 1.915 0 50 FDAA CCCn1cc(CN2CCN(S(=O)(=O)N3CCCC3)CC2)c(C)n1 215173902 GJBLMEOBRWZRQY-UHFFFAOYSA-N 355.508 1.060 0 50 FDAA 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CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N1CCCN(c2cccnn2)CC1 117819761 VUPFCIWTHRQAFC-MRXNPFEDSA-N 373.501 1.943 0 50 FDAA Cn1cc([C@@H]2CN(C(=O)c3ccncc3C(F)(F)F)C[C@H]2CO)cn1 282192705 MLMLHWQHFHQONG-AAEUAGOBSA-N 354.332 1.682 0 50 FDAA C[C@H](c1nc(C2CC2)no1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 329250837 BEAYZBBSFSPLGR-TZMCWYRMSA-N 370.475 1.134 0 50 FDAA O=C1NC[C@@]2(CCCN(C(=O)Cc3cc4c(cc3Cl)OCCO4)C2)O1 221397372 POJVWQMELKCFSG-QGZVFWFLSA-N 366.801 1.755 0 50 FDAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)Nc1n[nH]c(C(C)C)n1 170625722 BOCLFMGGVZLHJG-LLVKDONJSA-N 366.447 1.353 0 50 FDAA Cn1nc(CC2CCN(C[C@H]3CCOC3)CC2)n(-c2ccccc2)c1=O 67921291 LSYZUMYGZODDLW-QGZVFWFLSA-N 356.470 1.862 0 50 FDAA CC[C@@]1(C(=O)O)C[C@H](C(=O)NCCN(C)C)[C@H](c2ccc(F)cc2)N1C 67587405 BGTDMYHWDQMEAY-BXWFABGCSA-N 365.449 1.730 0 50 FDAA CC(C)n1cc([C@@]2(O)CCCN(C(=O)c3cc(N(C)C)ccn3)C2)nn1 284776420 XVPGUBBIOPVWFR-GOSISDBHSA-N 358.446 1.444 0 50 FDAA CCN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1 72143743 IWUQETLGUOYSOT-CQSZACIVSA-N 357.376 1.874 0 50 FDAA NS(=O)(=O)C[C@H]1CCCN(C(=O)C2(c3cccnc3)CCCC2)C1 365899325 YSTLDTWBOVPNBF-AWEZNQCLSA-N 351.472 1.421 0 50 FDAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N(C)CC(C)C 72163252 ZESLJMPONMVAER-QGZVFWFLSA-N 361.486 1.890 0 50 FDAA CNc1nc(C(=O)N2CCN(C(=O)c3cccc(OC)c3)CC2)cs1 72430895 UOSZQGGJSNFHQR-UHFFFAOYSA-N 360.439 1.792 0 50 FDAA CNC(=O)Cc1noc(CN2CCC[C@H]2c2nc3ccccc3n2C)n1 370256496 ODDCDWCQUHPWPQ-AWEZNQCLSA-N 354.414 1.582 0 50 FDAA C1=CC[C@H](CN2CCc3ncnc(NCCn4ccnn4)c3CC2)CC1 72421985 VHXCUUGXCMAODQ-INIZCTEOSA-N 353.474 1.937 0 50 FDAA Cc1c(/C=C/C(=O)N2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)cnn1C 375340144 BSOOVEDATHDPJA-LQYUOIDQSA-N 356.430 1.517 0 50 FDAA Cc1[nH]nc(CCC(=O)N[C@H]2CC(=O)N(CCc3ccccc3)C2)c1C 72129231 FAWKKZJBNTULGQ-KRWDZBQOSA-N 354.454 1.919 0 50 FDAA Cc1cc(C(F)(F)F)nc(CCNC(=O)C[C@H]2C=CS(=O)(=O)C2)n1 219876888 FJQVNWQXNOPAFQ-SNVBAGLBSA-N 363.361 1.411 0 50 FDAA Cc1cnn(C2(C(=O)O)CCN(C(=O)c3c(C)cc(=O)oc3C)CC2)c1 72420345 QQADRFRUYVOVMK-UHFFFAOYSA-N 359.382 1.478 0 50 FDAA Cc1n[nH]c(C)c1CCN(C)C(=O)[C@H](C)n1cnc2ccccc2c1=O 426615238 ZYEGGYBQOATRTQ-AWEZNQCLSA-N 353.426 1.999 0 50 FDAA Cc1cc(C(F)(F)F)n2ncc(C(=O)NCCCn3ccnn3)c2n1 426537712 OJPFXINKQOXQGD-UHFFFAOYSA-N 353.308 1.468 0 50 FDAA COc1ccccc1OC1CN(C(=O)NCCCN2CCC[C@H](O)C2)C1 426432068 VLTBTWQMWIHRLH-HNNXBMFYSA-N 363.458 1.315 0 50 FDAA CCc1cc(N2CCC(Cc3nncn3C)CC2)nc(N2CCOCC2)n1 82086921 ZNWCMGHROKIGNZ-UHFFFAOYSA-N 371.489 1.463 0 50 FDAA CN(C)Cc1nnc([C@H]2CCCN(C(=O)c3onc4c3CCCC4)C2)n1C 426657118 ZVLJMGXTWKLLKF-ZDUSSCGKSA-N 372.473 1.763 0 50 FDAA COCCN1CCN(C(=O)NC2CCN(c3ccccc3F)CC2)CC1 426647916 LIKGQXZAIAIIQQ-UHFFFAOYSA-N 364.465 1.768 0 50 FDAA Cc1cc(F)ccc1-n1cc(C(=O)N2CC[C@H](N3CCOCC3)C2)nn1 179404652 IQWOOIBFFRIJEG-HNNXBMFYSA-N 359.405 1.262 0 50 FDAA CCCCN1CCn2nc(CNC(=O)CCc3csc(N)n3)cc2C1 426690291 LVMZHTJREHTQFH-UHFFFAOYSA-N 362.503 1.787 0 50 FDAA Cc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)c1ccc(N2CC(=O)NC2=O)cc1 95392919 QQCCDUDVQDTWPX-GFCCVEGCSA-N 355.398 1.916 0 50 FDAA O=C1NCCN(C(=O)c2ccccc2-c2nnn[nH]2)[C@H]1Cc1ccccc1 97742663 RAVANXFNFSELMK-INIZCTEOSA-N 362.393 1.050 0 50 FDAA COc1ccc2c(c1)OC[C@]1(C(=O)O)CN(C(=O)N3CCOCC3)C[C@H]21 95373655 OWQODVFWQMXIPB-RDTXWAMCSA-N 362.382 1.010 0 50 FDAA COCCN1C[C@H](CNCc2cc(=O)c3c(C)ccc(C)c3[nH]2)CC1=O 91321055 UCRXXTNIIHEHPC-HNNXBMFYSA-N 357.454 1.729 0 50 FDAA Cc1cc(N2CCC3(CC2)CC(=O)N(Cc2c(C)noc2C)C3)nc(N)n1 91574381 GNGFXGXAFUIJAG-UHFFFAOYSA-N 370.457 1.991 0 50 FDAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cc[nH]c2C)CN1CCc1ccccc1 92065597 XBDUOBZMZOHTIX-MJGOQNOKSA-N 368.481 1.875 0 50 FDAA CN(C)C[C@@H]1CN(c2nc3c(c(C(F)(F)F)n2)CCCC3)C[C@@H]1CO 91585674 ZIILKGIZBSBBLZ-VXGBXAGGSA-N 358.408 1.981 0 50 FDAA CN1CCC(Cc2noc([C@H]3CC(=O)N(Cc4ccccn4)C3)n2)CC1 96150868 RTEJKSFGNMFWDZ-HNNXBMFYSA-N 355.442 1.865 0 50 FDAA CCCN1CCc2[nH]cnc2C12CCN(C(=O)c1c[nH]c(C)cc1=O)CC2 95524410 FNUHPZNYLIKHSJ-UHFFFAOYSA-N 369.469 1.806 0 50 FDAA Cc1cccn2c(CNC(=O)Cn3cnc4ccsc4c3=O)cnc12 244852977 VCZPGGNIKHIBLK-UHFFFAOYSA-N 353.407 1.731 0 50 FDAA O=C1[C@H]2CC[C@H](CN(C(=O)[C@H]3CC[C@@H](O)CC3)C2)N1Cc1cscn1 247725697 DMDNITGAIORASX-WMHQRMGPSA-N 363.483 1.644 0 50 FDAA CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)c1ccnc2[nH]c(C)nc12 299748958 IQVZBLOIWZJMBX-BLLLJJGKSA-N 354.414 1.990 0 50 FDAA CS(=O)(=O)NCCNC(=O)N[C@H]1CCC[C@H]1Cc1ccc(F)cc1 534584928 GACAOKRHWBYSNL-ZFWWWQNUSA-N 357.451 1.385 0 50 FDAA C[C@H](CCNC(=O)N(C)Cc1ccc2nonc2c1)N1CCN(C)CC1 534647905 YPOVKNYYRNBRGV-CQSZACIVSA-N 360.462 1.390 0 50 FDAA Cc1cc(C(=O)N[C@H](C)c2nnc3n2CCNCC3)c2ccc(F)cc2n1 67756049 KSBFPBLZBBHTQE-GFCCVEGCSA-N 368.416 1.911 0 50 FDAA COc1cnc(C(=O)N2CCN(Cc3cc(C)cc(C)c3)C(=O)C2)cc1O 299773735 FLXANRUOWGFJKP-UHFFFAOYSA-N 369.421 1.897 0 50 FDAA C[C@@H]1CCCN(c2cc(C(=O)N3CCC[C@@H](c4nc(=O)[nH][nH]4)C3)ccn2)C1 298886631 IIPCWEGRBUHNID-UKRRQHHQSA-N 370.457 1.749 0 50 FDAA O=C(Nc1cccn2cnnc12)N1CCCN(Cc2ccncc2)CC1 299759669 NXUFSCWRYPPELC-UHFFFAOYSA-N 351.414 1.864 0 50 FDAA CN(C)C(=O)c1ccc(CNC(=O)N2CCCN(c3ncccn3)CC2)o1 584894545 RYKBVAZOTKFKEY-UHFFFAOYSA-N 372.429 1.193 0 50 FDAA O=C(CCCc1nc(-c2ccccc2Cl)no1)NCc1nc(O)n[nH]1 670451346 NDPRHWLIYMAJKT-UHFFFAOYSA-N 362.777 1.853 0 50 FDAA Cn1c(O)nnc1[C@H]1[C@H](C2CC2)CCN1C(=O)c1cc[nH]c2nccc1-2 1875401544 KZJSOGJIJWQQNY-SMDDNHRTSA-N 352.398 1.962 0 50 FDAA O=C1O[C@@H](C(=O)N2CCC[C@H]2c2nccc(O)n2)Cc2c(F)cccc21 1875318235 LBNWFENCSLHGBU-UONOGXRCSA-N 357.341 1.767 0 50 FDAA O=C(NC1CCSCC1)N1CCC(n2[nH]c(C3CC3)nc2=O)CC1 1875306110 TXTDALLRHLJFMI-UHFFFAOYSA-N 351.476 1.691 0 50 FDAA C[C@H]1CN(C(=O)c2nc[nH]c3ncnc2-3)CC[C@@H]1CNC(=O)CC1CC1 1875358277 PWVMWEFEBRIUDT-WCQYABFASA-N 356.430 1.319 0 50 FDAA C[C@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2cccc(C(=O)N(C)C)c2)CC1 1875339304 ZQUSVCFVYWNFMD-SUMWQHHRSA-N 357.454 1.765 0 50 FDAA COc1cccc(C2(C(=O)N[C@@H]3C[C@H](Cn4cccn4)C[C@H]3O)CC2)c1 1875400993 PPHZJUUDNZQWJZ-BMGDILEWSA-N 355.438 1.879 0 50 FDAA COc1ncc(Br)c(=N[C@H]2C[C@H](NC(=O)C3(C)CC3)C2)[nH]1 1875406130 XUIUIOFYZQSBOD-KYZUINATSA-N 355.236 1.529 0 50 FDAA CCc1ccc(NC(=O)CCN2CC[C@]3(O)CCN(C(C)=O)C[C@@H]3C2)cc1 1076074113 XGKDNIRZJMWUFH-RXVVDRJESA-N 373.497 1.883 0 50 FDAA COCC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(C(C)=O)C2)cc1OC 952968525 CFQOCWSSXRAQCX-ZDUSSCGKSA-N 363.414 1.477 0 50 FDAA O=C(c1ccco1)N1CCC[C@@H](NCc2cnc(N3CCOCC3)nc2)C1 952974471 ITVXHKVAHCDKOW-MRXNPFEDSA-N 371.441 1.301 0 50 FDAA Cc1cc(C(=O)N2CC[C@H](Oc3ccnc(CN(C)C)c3)C2)nc(O)n1 886094936 ICSXECUUFIIRJJ-HNNXBMFYSA-N 357.414 1.241 0 50 FDAA C=CC(=O)Nc1cccc(C(=O)N[C@H]2CCCc3c2cnn3CCO)c1 867009202 YSUMPEGJWGMPBI-INIZCTEOSA-N 354.410 1.807 0 50 FDAA CO[C@H]1COCC[C@@H]1NC(=O)CNC(=O)c1cc(Cl)ccc1Cl 1565526188 IVABLDSMGJBDNZ-STQMWFEESA-N 361.225 1.643 0 50 FDAA Cc1nnnn1Cc1ccc(C(=O)N2C[C@H](C(C)C)[C@@H](N(C)C)C2)cc1 1565525806 YGZZKJCJHNQVCD-MSOLQXFVSA-N 356.474 1.688 0 50 FDAA OC1CCN([C@H]2CCN(c3nccc(CCC(F)(F)F)n3)C[C@@H]2O)CC1 1565508450 FZAGNQIJCCEXJD-GJZGRUSLSA-N 374.407 1.368 0 50 FDAA O=C(N[C@H]1CCOC[C@@H]1OCC1CCC1)c1nc2ccccc2[nH]c1=O 1565507927 MPLSCXDGYQZGBQ-HOTGVXAUSA-N 357.410 1.627 0 50 FDAA CN1C[C@@H](C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)CC1=O 408036301 RHDLNDXTFJYXLE-QWRGUYRKSA-N 358.364 1.623 0 50 FDAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2c(F)cc(OC)cc2F)CN1C 96151844 BWESLDSJNLMFLG-ABAIWWIYSA-N 369.412 1.644 0 50 FDAA NC(=O)c1cnn2c1C[C@@H](CNc1cnc3cc(F)c(F)cc3n1)CC2 275676919 WASOWGWNJBKUNU-VIFPVBQESA-N 358.352 1.878 0 50 FDAA CCC[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc2c1OC(C)(C)C2 192647108 WGMBVGXGVMGEHP-CYBMUJFWSA-N 352.456 1.689 0 50 FDAA COC[C@H]1[C@@H](NS(=O)(=O)Cc2ccc(Cl)cc2F)[C@H]2CCO[C@H]21 1074573185 XXSIBBRUNWACCD-PAPYEOQZSA-N 363.838 1.948 0 50 FDAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCNC(=O)[C@@H]1CC 1506421736 UUNZPXNPACYXDD-LBPRGKRZSA-N 360.863 1.946 0 50 FDAA COc1ccc(C(=O)N[C@@]2(C)CC3(CCNCC3)OC[C@@H]2O)c(OC)c1 1704343834 KDWUEYAFQVLOGG-WMZOPIPTSA-N 364.442 1.096 0 50 FDAA Cc1cc(C[C@@H]2CN(C(=O)c3cc(C)nc4onc(C)c34)C[C@H]2O)on1 1704337831 DNPOXKFADFZNKB-IUODEOHRSA-N 356.382 1.812 0 50 FDAA CN1CCC[C@H]1C(=O)N1CCCN(C(=O)c2ccc(Cl)cn2)CC1 1704334220 FXYRHEJGYAQTLE-HNNXBMFYSA-N 350.850 1.504 0 50 FDAA CN(Cc1ccccc1CN1CCCC1)C(=O)c1cnc(C(N)=O)cn1 1772707251 MGKPJAMBODAKAM-UHFFFAOYSA-N 353.426 1.444 0 50 FDAA COc1cccc(CC(=O)N2CCCN(C(=O)Cn3ccc(C)n3)CC2)c1 1772710124 RIRDXFPDMUXSCW-UHFFFAOYSA-N 370.453 1.504 0 50 FDAA C1CCN(C2CCN(c3nc4nonc4nc3N3CCOCC3)CC2)CC1 11702836 XEJQEIWANROFCZ-UHFFFAOYSA-N 373.461 1.304 0 50 FDAA O=C(COc1ccc(CN2C[C@H]3C[C@H](O)C[C@H]3C2)cc1)N1CCOCC1 1857692779 UFDWKQMTYGVMOA-PIIMJCKOSA-N 360.454 1.127 0 50 FDAA O=C(NCCn1nc(-c2ccccc2)ccc1=O)[C@H]1CCn2nccc2C1 1857697417 ACRSTWOSWAAVFM-INIZCTEOSA-N 363.421 1.486 0 50 FDAA Cc1cccc(N2C[C@@H]3[C@H](CNC(=O)CN(C)C(C)C)[C@H]4CC[C@]3(C2)O4)n1 1875246363 OEMKBCDTLGUTIT-XKGFGPFHSA-N 372.513 1.830 0 50 FDAA O=C(CCc1cccnc1)N1CC[C@](Cc2ccccc2)(C(=O)O)[C@H](O)C1 1875248562 XVMJLOKEQOOGAB-WIYYLYMNSA-N 368.433 1.921 0 50 FDAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)CCCc1nc(-c3ccncc3)no1)C2 1875250554 LNUYXFHGLRTMAA-HOCLYGCPSA-N 371.441 1.243 0 50 FDAA Cn1ccnc1[C@H]1CCN(C(=O)c2cnc(O)c(Br)c2)C1 328785154 OGZWZGYJFHFFCK-VIFPVBQESA-N 351.204 1.913 0 50 FDAA CCn1cc(S(=O)(=O)N(C)Cc2cn(C)nc2C(F)(F)F)nc1C 330571859 FYKLAPHCWUIQAX-UHFFFAOYSA-N 365.381 1.784 0 50 FDAA CC(C)(C)OC(=O)N1CCCN(C(=O)CC2CC(=O)NC(=O)C2)CCC1 2325810866 LASLKPYGLUXGFV-UHFFFAOYSA-N 367.446 1.289 0 50 FDAA C[C@@H]1NCCn2c(C(=O)NCC(=O)Nc3ccc4c[nH]nc4c3)ccc21 2325858302 HYKQYJQUOVUSAW-NSHDSACASA-N 352.398 1.397 0 50 FDAA O=S(=O)(NCCCNS(=O)(=O)c1ccccc1)c1ccccc1 3100941 HJZJUWHSUIFLRM-UHFFFAOYSA-N 354.453 1.334 0 50 FDAA COc1cc(C)ccc1OCCN1C[C@H]2COC[C@@H]1CN(CC(=O)O)C2 2356165395 GQOVRDLRYJBECS-HOTGVXAUSA-N 364.442 1.100 0 50 FDAA CSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 4141118 UFCXGCJLXVFGDT-CQSZACIVSA-N 350.396 1.949 0 50 FDAA CCn1c(C2CCN(C(=O)c3ccc(CN4CCCC4)o3)CC2)n[nH]c1=O 67689014 MVKOUNSSJQCVJC-UHFFFAOYSA-N 373.457 1.800 0 50 FDAA CCN(CC)C(=O)c1cn(C2CCN(C(=O)c3cscn3)CC2)nn1 67641724 HAXZNZORNASNLB-UHFFFAOYSA-N 362.459 1.694 0 50 FDAA COc1cccc(OCc2cc(C(=O)N3CC[C@@H](NC(C)=O)C3)n[nH]2)c1 67770127 JXBUVFJFXJJMHH-CYBMUJFWSA-N 358.398 1.348 0 50 FDAA O=C(c1ccc([C@H]2CCCN2C(=O)Cn2cnnn2)s1)N1CCCCC1 20996057 RBHWRLKJJRODAE-CYBMUJFWSA-N 374.470 1.724 0 50 FDAA CCN1CCN(C(=O)CCC2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 20449180 OKROZKFXIROHSM-KRWDZBQOSA-N 351.491 1.348 0 50 FDAA CCOC(=O)c1[nH]c(=O)[nH]c1[C@H]1CC(=O)Nc2c1cnn2-c1ccccc1 65527427 BTQSBDMKPQICCP-NSHDSACASA-N 367.365 1.540 0 50 FDAA COc1cc(C(=O)N2CCC[C@@H]2c2ccco2)sc1S(N)(=O)=O 151525524 DNMFLBNAQVQNJY-SECBINFHSA-N 356.425 1.974 0 50 FDAA O=C(Cc1csc2ccccc12)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 333722126 IJMMSDPXMNVDHM-GOEBONIOSA-N 365.476 1.858 0 50 FDAA Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)c1c[nH]cc(C)c1=O 332930453 CMADWGHFDBOOOO-KBPBESRZSA-N 362.405 1.631 0 50 FDAA CC1=NN(C(=O)c2c(Br)c(C)nn2C)[C@](O)(C(F)F)C1 1003124 CNPSMJPNGFEHST-LLVKDONJSA-N 351.151 1.667 0 50 FDAA COc1cccc(CN2CCC[C@](O)(CNCCc3noc(C)n3)C2=O)c1 67678496 RSLMAGJTVIYMMH-IBGZPJMESA-N 374.441 1.072 0 50 FDAA Cc1nc(C2CC2)ccc1C(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 333085452 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353.316 1.418 0 50 FDAA Cc1ccc(-c2cc(C(=O)N3C[C@@H](F)C[C@H]3CNS(C)(=O)=O)[nH]n2)o1 82097915 AEQZPWYRUOUQCK-QWRGUYRKSA-N 370.406 1.080 0 50 FDAA COc1cccc(-c2nc3c([nH]2)CCN(C(=O)C2=NNC(=O)CC2)C3)c1 96140939 IZDZEOMLLWTYQP-UHFFFAOYSA-N 353.382 1.236 0 50 FDAA O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]12CCN(CCOCCO)C2 426628124 DNUQGTLQBHJGMY-LJQANCHMSA-N 368.424 1.788 0 50 FDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CC13CCC3)CC2 92038354 PFWIOBQYQCOUCY-AWEZNQCLSA-N 372.469 1.449 0 50 FDAA O=C(NC1CC1)c1ccc(S(=O)(=O)NC[C@@H](O)c2ccccc2)cc1 92002270 WXZWTGZGANZYHG-QGZVFWFLSA-N 360.435 1.591 0 50 FDAA CCn1c(=O)oc2cc(NC(=O)N[C@@H](C)c3nncn3CCOC)ccc21 426517993 UVIDROPQBMRMSZ-NSHDSACASA-N 374.401 1.735 0 50 FDAA O=C1C[C@@H](C(=O)N2CCN(CCn3cccc3)CC2)c2cc(F)ccc2N1 91656288 RDRAAVRIAMVQJT-QGZVFWFLSA-N 370.428 1.897 0 50 FDAA O=C(Cn1nccc1[C@@H]1CCCNC1)N1CCN(Cc2cccnc2)CC1 426712028 KPZJXGFEJHEUKJ-GOSISDBHSA-N 368.485 1.090 0 50 FDAA CCC(=O)N1CCC[C@@H](C(=O)N2CCN(c3cc(CC)ncn3)CC2)C1 95501275 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CC(C)C(=O)N1CCn2nc(CNC(=O)N(C)Cc3ccco3)cc2C1 534652168 BLDBWHNUKKIFMO-UHFFFAOYSA-N 359.430 1.816 0 50 FDAA CN(C)c1cncc(-c2cccc(C(=O)NC3(C(N)=O)CCCC3)c2)n1 534651813 HMMTUOUBOPTKQA-UHFFFAOYSA-N 353.426 1.738 0 50 FDAA O=C([C@H]1CCCCN1C(=O)C1CC1)N1CCN(Cc2cccnc2)CC1 299781324 WCFHRLTYMDHTGI-GOSISDBHSA-N 356.470 1.517 0 50 FDAA Cc1nc(CN2CCn3nc(CNC(=O)C4CCC4)cc3C2)n(C)c1C 299801839 YKXSUYXRHQUIFM-UHFFFAOYSA-N 356.474 1.666 0 50 FDAA Cc1noc(C)c1CN1CC[C@@H](NC(=O)c2ccc(F)cc2F)[C@H](O)C1 299776409 BBMDOSJOAILBFU-IAGOWNOFSA-N 365.380 1.935 0 50 FDAA CC(C)c1nccn1[C@@H](C)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 299765810 BPPUTARENASHFV-HNNXBMFYSA-N 362.474 1.665 0 50 FDAA Cc1cc(C(=O)N[C@@H]2CCN(Cc3cc4c(cc3C)OCO4)C[C@H]2O)no1 299755025 AGADXBJEPQPMDK-GDBMZVCRSA-N 373.409 1.385 0 50 FDAA Cc1cc(O)nc(S[C@H](C)C(=O)NC2CCN(c3cnccn3)CC2)n1 299772764 ADSVZNUNANGIDH-GFCCVEGCSA-N 374.470 1.546 0 50 FDAA O=C(NCc1noc(-c2cccs2)n1)NC[C@H]1CCS(=O)(=O)C1 828032019 GZQSEJYODKHKPV-SECBINFHSA-N 356.429 1.032 0 50 FDAA C[C@@]12C=C[C@@](C3OCCO3)(O1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 584904468 AFUTYJFLORCQMP-RUZGCFLTSA-N 361.781 1.916 0 50 FDAA C[C@H](CCNC(=O)N1CCCN(C(=O)c2ccco2)CC1)n1ccnc1 584897658 WTVWMUWTXXQMQH-OAHLLOKOSA-N 359.430 1.985 0 50 FDAA C=CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)C(=O)N2CCc3ccccc32)C1 1875371304 WQUCOHSTMHEPPW-GDBMZVCRSA-N 355.438 1.505 0 50 FDAA CC(C)(Oc1cccc(Cl)c1)C(=O)N=c1nc[nH]n1-c1ncccn1 1875315697 DROZNSFAASGKIZ-UHFFFAOYSA-N 358.789 1.929 0 50 FDAA Cc1csc([C@@H](C)C(=O)N2CC[C@@](C)(NC(=O)c3cn(C)nn3)C2)n1 1875362003 LMUHZUJHRYRPDL-BDJLRTHQSA-N 362.459 1.105 0 50 FDAA COCC(C)(C)N1CCN(C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)CC1 1875395100 LDHBHWLZCVFAII-QWHCGFSZSA-N 350.463 1.615 0 50 FDAA O=C(N=c1[nH]nc([C@@H]2CCOC2)s1)c1ccncc1Br 1875321099 UQZSDJLDVNJEBS-SSDOTTSWSA-N 355.217 1.874 0 50 FDAA NCc1ccccc1CCC(=O)NS(=O)(=O)c1ccc(F)c(F)c1 1875337467 VCUWXQPFEYZCNI-UHFFFAOYSA-N 354.378 1.861 0 50 FDAA CS(=O)(=O)NC(=O)C1CCN(Cc2coc(-c3ccccc3)n2)CC1 1875390812 ORKULTFXSYYTBB-UHFFFAOYSA-N 363.439 1.629 0 50 FDAA Cn1nccc1[C@@]1(O)C[C@@H]2CC[C@H](C1)N2c1ncnc2c1nnn2C1CC1 1875392296 LILJBSFJCMPQEM-MCBXIFIFSA-N 366.429 1.309 0 50 FDAA CCn1ccc(C(=O)N2CCCC[C@H]2c2nc(CCOC)no2)cc1=O 952976223 VDOXNLGDDBOZBL-AWEZNQCLSA-N 360.414 1.808 0 50 FDAA O=C(NCC1CCN(CC[C@H]2CCS(=O)(=O)C2)CC1)c1ccccn1 952966456 UEJZPLXIVITBDI-INIZCTEOSA-N 365.499 1.348 0 50 FDAA Cc1nnn(C23C[C@H]4C[C@@H](CC(NC(=O)[C@H](C)Cn5cccn5)(C4)C2)C3)n1 952978057 XDYKEJZENUPYQC-KEKYASOWSA-N 369.473 1.678 0 50 FDAA CC(C)Nc1ncccc1C(=O)N1CCC[C@](O)(Cc2nncn2C)C1 886094585 AFBHAHVSWHLRCE-SFHVURJKSA-N 358.446 1.240 0 50 FDAA CC(C)c1cccc(S(=O)(=O)N2CCC[C@H](N3CCNCC3=O)C2)c1 186122284 WKVPLZPRKHJKCX-INIZCTEOSA-N 365.499 1.395 0 50 FDAA Cc1cc(CC(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)n[nH]1 275406683 BLHAZVHKZDSLED-INIZCTEOSA-N 355.442 1.936 0 50 FDAA CC(C)C[C@]1(CO)CCCN1C(=O)NCc1ncccc1S(C)(=O)=O 279281936 XWKJSFFFDMMMMX-KRWDZBQOSA-N 369.487 1.568 0 50 FDAA CN(C)C(=O)N1CCN(C/C=C/c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1073276676 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IHJVQMTXISWIGV-JTQLQIEISA-N 356.411 1.450 0 50 FDAA Cn1nccc1C(=O)N[C@H]1CC(C)(C)Cc2nc(N3CCOCC3)ncc21 11770776 HLWXMXLRZYNPSG-AWEZNQCLSA-N 370.457 1.490 0 50 FDAA NC(=O)C1(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 12575691 DWPMFJSEBXNUFQ-NSHDSACASA-N 369.343 1.188 0 50 FDAA CC(C)N(C)Cc1nnnn1CC(=O)NCc1ccnc2ccccc12 15066252 JQHLJRFCAZDAIA-UHFFFAOYSA-N 353.430 1.378 0 50 FDAA Cn1cc(Cl)c(C(=O)N2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)n1 1857680038 FQYNRCPZWBFCDU-SFHVURJKSA-N 374.828 1.963 0 50 FDAA O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1cn2c(n1)CCNCC2 1857717949 HNXBXVXDEWTIMW-MRXNPFEDSA-N 356.426 1.839 0 50 FDAA Cc1nn(CCC(=O)N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)c(C)c1C 1857736015 LXNSSDUMNUJZRT-JRBPQWBISA-N 360.502 1.766 0 50 FDAA CO[C@@H]1CC[C@H](c2nc(-c3c[nH]nc3C)nn2CCc2cnc[nH]2)C[C@H]1N 1857737545 RRIWUIAJGQHMNV-APHBMKBZSA-N 370.461 1.552 0 50 FDAA O=C(N1CCCCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 816526 BSHHQNMUMVKPPT-UHFFFAOYSA-N 355.435 1.738 0 50 FDAA Cc1ccn2c(NC(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)nnc2c1 121957509 AWYAIEZGZNWXRH-CYBMUJFWSA-N 350.382 1.420 0 50 FDAA Cn1cc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)c(-c2ccncc2)n1 161025418 QRYDRZPFJXGSBS-QGZVFWFLSA-N 355.442 1.305 0 50 FDAA Cc1nnc2n1C[C@@H](C(=O)O)N(C(=O)C[C@@H](C)Cc1cccc(F)c1)C2 263402085 GVIVECGUKIPOBX-NHYWBVRUSA-N 360.389 1.790 0 50 FDAA C[C@]1(NC(=O)Cc2ccccc2Cl)CC2(CCNCC2)OC[C@@H]1O 1704327803 GTMKKVGFJIXYEP-RDJZCZTQSA-N 352.862 1.661 0 50 FDAA O=C(Nc1nccc2nncn12)C1CCN(C(=O)c2ccncc2)CC1 2100483806 QIGWGQCPBRZUJL-UHFFFAOYSA-N 351.370 1.010 0 50 FDAA O=C1C[C@@H](N2CCN(c3ccccc3O)CC2)C(=O)N1c1ccccc1F 100129922 WMGQWNPJTWVTAK-QGZVFWFLSA-N 369.396 1.985 0 50 FDAA O=C([C@@H]1NO[C@@H]2CCC[C@H]21)N1CCC(c2cc(C3CCNCC3)[nH]n2)CC1 2325768500 NKKXAGJXPUDHJE-ATZDWAIDSA-N 373.501 1.655 0 50 FDAA CN(CCOc1ccccc1)C(=O)c1cnc(N2CCCNCC2)cn1 2325777418 AHBFHMXUDWLIPH-UHFFFAOYSA-N 355.442 1.427 0 50 FDAA O=C(NCCn1nnc2ccccc21)c1cnc(C2CCNCC2)nc1 2325787679 PJHWSSLFMLEZEB-UHFFFAOYSA-N 351.414 1.118 0 50 FDAA C=CC(=O)Nc1ccc(C(=O)NCc2nn(C)c(=O)c3ccccc23)cc1 2325888904 IMHVNLFRFUWDEW-UHFFFAOYSA-N 362.389 1.988 0 50 FDAA Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N1CCOCC1 2873842 WRLUHLUJJDHZPQ-UHFFFAOYSA-N 368.455 1.017 0 50 FDAA COc1ccc(S(=O)(=O)N(CC(N)=O)Cc2ccccc2)cc1OC 4152039 QZVPHEIDWJLTHW-UHFFFAOYSA-N 364.423 1.380 0 50 FDAA Cn1cc(N2CC[C@@H](N3CCN(CCOc4ccccc4)CC3)C2=O)cn1 111194283 YBXQQLWDTARXTB-LJQANCHMSA-N 369.469 1.222 0 50 FDAA O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)OCC(=O)c1ccccc1 104313537 UHLFESIZBNNHMZ-JROKTQBJSA-N 365.385 1.466 0 50 FDAA O=C(c1cc2ccccn2c1)N1CCN(S(=O)(=O)c2cccnc2)CC1 114117340 PODHGNWIAIIJAO-UHFFFAOYSA-N 370.434 1.481 0 50 FDAA CCS(=O)(=O)N1CCC(C(=O)NCCCOC2CCCCC2)CC1 58264861 YBLKHIIFADDVHN-UHFFFAOYSA-N 360.520 1.904 0 50 FDAA Cc1cccc(Cn2nc(C)cc2NC(=O)[C@@H](C)NS(C)(=O)=O)c1 55211377 SUKIKIMJUOCTOY-CYBMUJFWSA-N 350.444 1.424 0 50 FDAA O=C([C@@H]1[C@H]2CNC[C@H]21)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2 102374239 DTDMZPTURBXCSP-DHSPWXPASA-N 351.494 1.542 0 50 FDAA O=C(NCC1(c2ccccc2)CCOCC1)N1CCS(=O)(=O)CC1 103861027 XIYDAFKXRCOZJS-UHFFFAOYSA-N 352.456 1.175 0 50 FDAA COc1ccc(C(=O)N(C)C)cc1NC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 248127226 GVZNECSEVODKFR-KUDNYVPYSA-N 358.394 1.858 0 50 FDAA CN1CCN(C(=O)CNC(=O)N2CCc3c([nH]c4ccccc34)C2)CC1 20676820 KRMBGRUXQCVNAK-UHFFFAOYSA-N 355.442 1.010 0 50 FDAA biogenic Cc1cc(CNC[C@]2(O)CCCN(CCCc3ccccc3)C2=O)n[nH]1 67725313 AUMXUIWHDBGFLT-HXUWFJFHSA-N 356.470 1.794 0 50 FDAA CC[C@@H](C(=O)N1CCN(C)CC1)N(c1cccc(OC)c1)S(C)(=O)=O 65362454 LXQJEAQAHNMZCH-INIZCTEOSA-N 369.487 1.014 0 50 FDAA CCCCNC(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O 170625195 SZGICAGQIZODRF-INIZCTEOSA-N 356.426 1.937 0 50 FDAA biogenic COC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1cc(Cl)ccc1OC 65394264 MOPGAQXOOPKXKK-WDEREUQCSA-N 363.819 1.036 0 50 FDAA CN(C)C[C@]1(O)CCCN(C(=O)c2cnc(Nc3ccccc3)nc2)C1 72143003 CXFKZNRRIKIUCH-LJQANCHMSA-N 355.442 1.749 0 50 FDAA Cc1ccoc1C(=O)N1CCc2ncnc(N3CCC[C@H](O)C3)c2CC1 72433675 GRPAMPSXMJVNMQ-AWEZNQCLSA-N 356.426 1.580 0 50 FDAA O=C(c1ccccc1)N1CC[C@@H](Cn2c(-c3ncccn3)noc2=O)C1 282178530 JCJAMTVVNRQDJC-CYBMUJFWSA-N 351.366 1.456 0 50 FDAA CC(C)SCCN1C(=O)N[C@](c2cccnc2)(C2CCNCC2)C1=O 67674898 SLQIWOLTISFETG-SFHVURJKSA-N 362.499 1.970 0 50 FDAA Cn1nc(C2CCN(Cc3cnc(N)nc3)CC2)n(-c2ccccc2)c1=O 67804450 YWVBTQDPYJHHDC-UHFFFAOYSA-N 365.441 1.323 0 50 FDAA O=S(=O)(N1CCCC1)N1CCN(C/C=C/c2ccc(F)cc2)CC1 216216705 ZJPAIRRGYPFLHX-ONEGZZNKSA-N 353.463 1.797 0 50 FDAA CCc1nn(C)c(OC)c1CN1CCC[C@H]1c1nc(C(=O)NC2CC2)no1 328624188 CGDJRDCWJDDELP-AWEZNQCLSA-N 374.445 1.603 0 50 FDAA CS(=O)(=O)N1CCC[C@@H]1CN[C@H]1CCC(=O)Nc2ccc(F)cc21 360714567 QXCCGIRAXMSSGJ-OCCSQVGLSA-N 355.435 1.613 0 50 FDAA CN1C[C@@H](C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)CC1=O 154128625 VGRLFAQGZZVUKZ-ZDUSSCGKSA-N 351.397 1.524 0 50 FDAA Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(N)=O 363918024 OAMHZZAWAHFYEH-IRXDYDNUSA-N 369.469 1.980 0 50 FDAA Cc1cc(C)c2nonc2c1S(=O)(=O)N1CCO[C@@H](C(F)(F)F)C1 71439802 UOVGFYNTEFURPD-SECBINFHSA-N 365.333 1.791 0 50 FDAA O=C(Cn1[nH]c(=O)c2ccccc2c1=O)N1CCc2ccc(F)cc2C1 121604426 GZZJHTOGVYLBOY-UHFFFAOYSA-N 353.353 1.414 0 50 FDAA Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(C(=O)c2ccc[nH]c2=O)C1 72434839 JUYPFKYKCQSMOF-CQSZACIVSA-N 370.457 1.119 0 50 FDAA Cn1nncc1S(=O)(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 330089997 WLCLMDKXEVIPNC-ZDUSSCGKSA-N 373.442 1.169 0 50 FDAA Cc1ncsc1CN(C)C[C@@H]1CCN(S(=O)(=O)c2cnc[nH]2)C1 330182411 OYOLPZAEZDHNHV-LBPRGKRZSA-N 355.489 1.317 0 50 FDAA COCCCN1C[C@@]2(CCCN(C(=O)c3ccnc(N)c3)C2)CCC1=O 77390732 KPGAOKNCFVIMGA-LJQANCHMSA-N 360.458 1.545 0 50 FDAA COc1cc2c(cc1Cn1ccnc1-c1cc3n(n1)CCNC3)OCCO2 72423733 HNKPIFGRNPYTID-UHFFFAOYSA-N 367.409 1.678 0 50 FDAA COc1nc2c(cc1CNC(=O)CCCC(N)=O)C(=O)N(C1CCCC1)C2 71415837 YCRVIPMWPSZFGG-UHFFFAOYSA-N 374.441 1.260 0 50 FDAA Cc1ccc2cc(CN3CCOC[C@@H](O)C3)c(N3CCOCC3)nc2c1 77319513 OHPAIAIPKNFOPE-SFHVURJKSA-N 357.454 1.573 0 50 FDAA CC(C)(C)c1ccn(C2(C(=O)O)CCN(C(=O)c3cccnn3)CC2)n1 72426521 FKJRQLOOWJWBGL-UHFFFAOYSA-N 357.414 1.687 0 50 FDAA O=C(NC[C@H]1CCCN1C1CCCCC1)N1CCN([C@@H]2CCNC2)CC1 333668098 XWOPBDBPBDKNHN-RTBURBONSA-N 363.550 1.473 0 50 FDAA Nc1nc(CC(=O)N2CCC[C@H](CCc3cccc(F)c3)C2)cc(=O)[nH]1 71756955 OLACLFCZNBCSBY-CQSZACIVSA-N 358.417 1.905 0 50 FDAA O=C(NC1CCN(CCc2ccccc2)CC1)N1CCN2C(=O)NC[C@@H]2C1 177198397 YZRNUXOOHLTHLM-GOSISDBHSA-N 371.485 1.113 0 50 FDAA COc1cc(CCC(=O)N[C@@H]2COCC[C@@H]2OCC(=O)O)ccc1C 220127831 GSAMAICXUHYAGY-CABCVRRESA-N 351.399 1.311 0 50 FDAA Cc1nc(SCCNC(=O)N2CCOc3ccc(CO)cc3C2)n[nH]1 426465164 JAFCTKRMBFCTGE-UHFFFAOYSA-N 363.443 1.302 0 50 FDAA Cc1cccc(=O)n1CCC(=O)N1CCC(c2nnc3ccccn23)CC1 426578524 CGWKKRKIXGMHNC-UHFFFAOYSA-N 365.437 1.996 0 50 FDAA CCCn1cc(CN2CCCn3nc(CNC(=O)N(C)C)cc3C2)c(C)n1 82116044 MDZJBIYRXVZFSW-UHFFFAOYSA-N 373.505 1.975 0 50 FDAA CCN(CC(=O)O)C1CC(N[C@H](C)CCN2C(=O)c3ccccc3C2=O)C1 263529376 VQJHNQZGUSOVRK-WLYUNCDWSA-N 373.453 1.588 0 50 FDAA CC(=O)N[C@H]1CCN(C(=O)NCC2CCN(CCc3ccccc3)CC2)C1 426715849 JAKAPFIZPWYRGU-FQEVSTJZSA-N 372.513 1.861 0 50 FDAA O=C(Cn1ccc([C@@H]2CCCNC2)n1)NCCN1CCCc2ccccc21 426433599 IFWMOCJGMUWSRJ-GOSISDBHSA-N 367.497 1.919 0 50 FDAA CC(=O)N1CCC[C@H](C(=O)NCCNC(=O)c2ccccc2Cl)C1 41397259 BQDLBVIIEFSIPY-ZDUSSCGKSA-N 351.834 1.445 0 50 FDAA NCCOc1ccc(CC(=O)N2CCNC(=O)[C@H]2c2cccc(F)c2)cc1 426433945 CZNZOUWEZDFPBC-LJQANCHMSA-N 371.412 1.405 0 50 FDAA CNc1cc(N2CCC(c3nnc(CN4CCCC4)n3C)CC2)nc(N)n1 82099891 MCOYCUFMFNXTGY-UHFFFAOYSA-N 371.493 1.209 0 50 FDAA COc1nc2c(cc1C(=O)N1C[C@@H]3CCN(C(=O)N(C)C)[C@@H]3C1)CCC2 82087866 ROQXSYHRJKXKDR-XJKSGUPXSA-N 358.442 1.407 0 50 FDAA CCN(CC)C(=O)[C@H]1CCCN(C(=O)NCc2ccc(C(=O)O)o2)C1 426507878 MVVWCXWAUWXRMX-LBPRGKRZSA-N 351.403 1.768 0 50 FDAA Cc1nnc(SCC(=O)N2C[C@@H](NC(=O)N(C)C)[C@H](C(C)C)C2)s1 95519495 LSIRBEPPOCCMJR-NWDGAFQWSA-N 371.532 1.693 0 50 FDAA CNC(=O)c1ccc(OC)c(-c2ccc(NCCN3CCOCC3)nc2)c1 96163528 VYNXDYNGVLBQFS-UHFFFAOYSA-N 370.453 1.861 0 50 FDAA O=S(=O)(c1ccccc1)N1C[C@H](CO)[C@H](CN2CCCCCC2)C1 91738502 VOXXRVQCSDKUIZ-IAGOWNOFSA-N 352.500 1.792 0 50 FDAA Cc1nn(C)c2nc(N3CCCO[C@H](CN4CCOCC4)C3)sc12 96140154 GEVMKQOECGBRCF-CYBMUJFWSA-N 351.476 1.266 0 50 FDAA Cc1cccc([C@@H](C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)N(C)C)c1 95365503 SUYGAWIDECWIFT-SFHVURJKSA-N 354.454 1.910 0 50 FDAA CN(C)C(=O)N1CCC[C@@H](C(=O)N2CCC(O)(Cc3ccccc3)CC2)C1 95368803 NAYTZMNWOLQPQY-GOSISDBHSA-N 373.497 1.976 0 50 FDAA Cc1cc(C(=O)N[C@@H]2CCN(C(=O)c3ccccc3)C[C@H]2O)nc(C)n1 426369953 ORAPNUOYOOHOPH-NVXWUHKLSA-N 354.410 1.099 0 50 FDAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CCn1cc(Cl)cn1)C2 91973740 LSBLVLOTCUYGLJ-GXTWGEPZSA-N 354.838 1.022 0 50 FDAA CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1Cc2ccccc2CN1C 95501230 ITFCCHPUOVHHBI-GOSISDBHSA-N 362.433 1.938 0 50 FDAA CN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)C(=O)c1ncoc1C1CC1 293869804 AFQAHPBMMNBMFZ-GJZGRUSLSA-N 361.421 1.970 0 50 FDAA C[C@@H](Cn1cncn1)NC(=O)c1cnc(COc2ccc(F)cc2)nc1O 91656881 XGSXPCZRQLTNSL-NSHDSACASA-N 372.360 1.310 0 50 FDAA NS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](CO)Cc2ccsc2)c1 97681901 ZMMVBKMUXGJVAJ-NSHDSACASA-N 372.443 1.116 0 50 FDAA COCCN1CCC[C@]2(CCN(c3nccc(C(F)(F)F)n3)C2)C1=O 91444923 WBFQNBSGFWIEOU-OAHLLOKOSA-N 358.364 1.961 0 50 FDAA COc1ccc2c(c1)OC[C@H](CNC(=O)CCc1c(C)nc(=O)[nH]c1C)C2 95508966 BXIHKUAHZGGRSW-AWEZNQCLSA-N 371.437 1.695 0 50 FDAA CC(=O)N1CCc2[nH]cnc2C12CCN(Cc1cccc3nonc13)CC2 91656574 JOAQPVZGLMNEGQ-UHFFFAOYSA-N 366.425 1.842 0 50 FDAA CCc1nnc(CN(CC)C(=O)[C@H](c2cccnc2)N2CCOCC2)o1 95364642 DWALVMPWZVUGFF-KRWDZBQOSA-N 359.430 1.449 0 50 FDAA O=C(CCN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1cccnc1 244647018 GTMRDBPDINKBKB-UHFFFAOYSA-N 374.466 1.417 0 50 FDAA CC[C@H](C)[C@H](CO)NC(=O)CC[C@H]1N=C(O)N(Cc2ccco2)C1=O 252539832 OLWTUXUGROFADF-YUTCNCBUSA-N 351.403 1.208 0 50 FDAA COC(=O)c1cn(Cc2nc(Cc3ccccc3)no2)cc2c(=O)[nH]nc1-2 263587525 HSAVFMRKKZQULL-UHFFFAOYSA-N 365.349 1.485 0 50 FDAA CN1C[C@]2(CCN(C(=O)NCCCN(C)c3ccccc3)C2)OCC1=O 534639980 DGWQXPJWUDCNFI-IBGZPJMESA-N 360.458 1.156 0 50 FDAA CCOc1ccc(C(=O)N2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)cc1Cl 299757514 IOXANRPFOWWUNK-HOTGVXAUSA-N 367.877 1.171 0 50 FDAA Cc1cc(C)n2nc(CC(=O)N3CC[C@@H](Oc4ccccc4)C3)nc2n1 299756418 HZRLZQBSWRXTIR-MRXNPFEDSA-N 351.410 1.964 0 50 FDAA Cn1nnc2cc(NC(=O)NC3CCN(c4cnccn4)CC3)ccc21 299766612 QZGYTTIUKOELEB-UHFFFAOYSA-N 352.402 1.549 0 50 FDAA O=C(c1scc2c1OCCO2)N1CCN(c2ncnc3[nH]cnc23)CC1 299770815 RPWWEHLXRDQCJS-UHFFFAOYSA-N 372.410 1.148 0 50 FDAA COc1cccc(-c2cc(CNC(=O)c3n[nH]c4c3CN(C)CC4)on2)c1 584890188 DYLUKDKFBGLMJG-UHFFFAOYSA-N 367.409 1.991 0 50 FDAA Cc1cc(C)n(-c2ccc(NC[C@H]3CCC[C@@H]3NS(C)(=O)=O)nn2)n1 268252448 PRQLICOUGTXMQD-KGLIPLIRSA-N 364.475 1.409 0 50 FDAA CN(Cc1ccn(C)n1)C(=O)NC1CC(CNC(=O)OC(C)(C)C)C1 1875277906 MXAWGKUFFMFGPX-UHFFFAOYSA-N 351.451 1.865 0 50 FDAA C=CC(=O)Nc1ccc(C(=O)N[C@H]2COc3ccccc3NC2=O)cc1 1875371105 OZPFUYMPUSONEZ-HNNXBMFYSA-N 351.362 1.941 0 50 FDAA O=C(Cn1cc2ccccc2n1)N[C@H]1[C@@H]2CN(C(=O)[C@H]3CC34CCC4)C[C@@H]21 1875309447 UIAKHSYGTQDBAU-OLMMMNRUSA-N 364.449 1.800 0 50 FDAA 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357.454 1.704 0 50 FDAA NS(=O)(=O)c1ccc(CCNC(=S)NC(=O)c2cccs2)cc1 2959983 KUJKHYWDQYSCEK-UHFFFAOYSA-N 369.493 1.243 0 50 FDAA O=C(CCn1cnnn1)N1CC[C@H]2[C@@H]1CCN2Cc1cccc2cc[nH]c12 2100477143 JMLACEOELLLYMD-IRXDYDNUSA-N 365.441 1.420 0 50 FDAA CN1CCc2ccc(C(=O)N3CCO[C@@H](CO)[C@@H]3c3ccccc3)nc21 2100547911 RUZALYDSXAKMKE-ROUUACIJSA-N 353.422 1.649 0 50 FDAA COC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 20051487 OUBGQJFFVAXTTG-HNNXBMFYSA-N 365.817 1.453 0 50 FDAA CC(=O)N[C@@H]1[C@H](Oc2ccc(Cl)cc2)O[C@@H]2COC(C)(C)O[C@@H]2[C@H]1O 245225925 ZWTDRTNLJKBYAO-OLMNGRFOSA-N 371.817 1.461 0 50 FDAA CNC(=O)c1cc(NC(=O)/C=C(\C)c2cnn(C)c2)cc(C(=O)NC)c1 2325873066 XTNHWTYBIKGGRG-VZUCSPMQSA-N 355.398 1.181 0 50 FDAA Cc1cc(Br)ncc1S(=O)(=O)Nc1cnn2cccnc12 2325895247 KMMZXEVAJFXEMJ-UHFFFAOYSA-N 368.216 1.996 0 50 FDAA O=C(c1cnc2cccnn12)N1CCc2nc(-c3ccccc3)nn2CC1 2356165681 FVMTVHBMRSYLQJ-UHFFFAOYSA-N 359.393 1.686 0 50 FDAA NC(=O)[C@@H](Cc1ccccc1)NC(=O)CCNC(=O)OCc1ccccc1 4762650 LRVYEGIDLBTVRY-QGZVFWFLSA-N 369.421 1.516 0 50 FDAA O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)c1cc(-c2ccncc2)on1 112031364 OHFJEYFXIYLEOA-SNVBAGLBSA-N 354.288 1.630 0 50 FDAA COc1cccc(N2CCN(C(=O)c3cn4ccccc4n3)CC2=O)c1 20598754 CGMBJFZDQMPRMB-UHFFFAOYSA-N 350.378 1.832 0 50 FDAA CC(=O)N[C@@H]1CCN(c2ccc(C(=O)NCCCc3ccccn3)cn2)C1 67833316 QDBSDADKWQTWBW-GOSISDBHSA-N 367.453 1.554 0 50 FDAA COCc1nc([C@@H]2CCCCN2C(=O)CCn2c(C)csc2=O)n[nH]1 329536239 AZZAIHMTZIAXER-LBPRGKRZSA-N 365.459 1.627 0 50 FDAA CCn1c(CC2CCNCC2)nn(C[C@H]2CC(c3ccccc3)=NO2)c1=O 65373927 FZOMNGJWLLLICR-QGZVFWFLSA-N 369.469 1.800 0 50 FDAA CC(=O)c1ccc(NC(=O)CSc2nc3c(=O)[nH]cnc3n2C)cc1 12364728 GMUVRLXQBFCUME-UHFFFAOYSA-N 357.395 1.590 0 50 FDAA biogenic,in-vitro CN(CCCO)c1ccc(C(=O)NCC[C@H]2COc3ccccc3O2)cn1 67675864 DDXVQQIIDZGENE-INIZCTEOSA-N 371.437 1.860 0 50 FDAA Cc1nc(NCCNS(=O)(=O)c2ccccc2)cc(-n2ccnc2C)n1 65364071 HSDJRMUWYXSATO-UHFFFAOYSA-N 372.454 1.670 0 50 FDAA COc1c(C)cnc(CN(C)C(=O)c2cc3n(n2)CCN(C(C)=O)C3)c1C 65422581 WIPPDIFCWSEZNU-UHFFFAOYSA-N 371.441 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1.636 0 50 FDAA CC(=O)Nc1ccc(CNC(=O)c2cnn(C3CCOCC3)c2C)cn1 279037285 CHQBKMQKCUZNRU-UHFFFAOYSA-N 357.414 1.826 0 50 FDAA NS(=O)(=O)N1CCC(C(=O)N2CCC[C@H](c3ccccc3)CC2)CC1 171030221 DMCDIBRGSWSVBV-INIZCTEOSA-N 365.499 1.698 0 50 FDAA O=C(CCOc1cccc(Br)c1)NCCc1nc(=O)o[nH]1 280163293 RSFYXAJDPDUJHL-UHFFFAOYSA-N 356.176 1.253 0 50 FDAA COCCN1CCC(CNC(=O)Cn2ccc(=O)c3ccccc32)CC1 171292671 BGOMWPYLWAQHGX-UHFFFAOYSA-N 357.454 1.476 0 50 FDAA Cc1nnc(S(=O)(=O)[C@@H](C)c2nnnn2C2CC2)n1Cc1ccccc1 191025229 NTEOILNWKGOLQM-NSHDSACASA-N 373.442 1.491 0 50 FDAA Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc4nnn(C)c4c3)C2=O)cc1 191618651 WXPVZEVBTXSDJG-QGZVFWFLSA-N 363.421 1.808 0 50 FDAA CCCn1nccc1NC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1 1529091765 QBGQEKUJSKZINR-INIZCTEOSA-N 373.432 1.761 0 50 FDAA Nc1ncc2c(n1)[C@@]1(CCCN(CC(=O)NCc3cccs3)C1)CC2 1704330070 VWGPQDKKGAESJS-SFHVURJKSA-N 357.483 1.717 0 50 FDAA CCOC(C)(C)C(=O)N1CCCN(C(=O)c2c(Cl)cnn2C)CC1 1704334435 IVCIKHQFBIGWET-UHFFFAOYSA-N 356.854 1.563 0 50 FDAA 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368.374 1.711 0 50 FDAA CN1CCn2nc(-c3nc(C4CCCC4)nn3[C@@H]3CCOC3)cc2C1=O 1857674476 KFWZOSBSTSOJPT-CYBMUJFWSA-N 356.430 1.846 0 50 FDAA COC(=O)c1cncnc1N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857711840 NWWNUWRAKBFJET-IBGZPJMESA-N 368.393 1.517 0 50 FDAA CCc1nccn1CCC(=O)N1CC[C@@]23OC[C@@H](C(C)C)N2C(=O)C[C@@H]13 1857731980 WNDRTACQHYBFFP-KHYOSLBOSA-N 360.458 1.420 0 50 FDAA COc1cc(N2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)[nH]c(=N)n1 1875246540 AWTQPSUNJAJATI-SFHVURJKSA-N 355.398 1.151 0 50 FDAA O=C(c1ncccc1O)N1C[C@@H]2CN(C3CCCCC3)C[C@]2(C(=O)O)C1 247445358 YISDDFIIHJMQBH-DJJJIMSYSA-N 359.426 1.579 0 50 FDAA CC[C@@H](CNC(=O)c1ccnc2c(C(N)=O)cnn12)Oc1cccc(F)c1 152855041 WHYYBDUIYIYMLA-LBPRGKRZSA-N 371.372 1.555 0 50 FDAA Cc1cc(C)n(Cc2cccc(C(=O)N3C[C@H]4COC[C@@H]3CN(C)C4)c2)n1 1704313176 HOQMIAHEACIEPP-ICSRJNTNSA-N 368.481 1.951 0 50 FDAA Nc1nc(N2CCCC2)cc(N2CCC[C@]3(CCc4cnc(N)nc43)C2)n1 1704308830 LQKLXGVUPMWPLW-IBGZPJMESA-N 366.473 1.516 0 50 FDAA NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCN(c3cccc(F)c3F)CC2)C1 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CCn1c([C@H]2CCCN(Cc3ccncc3)C2)nn(CCN(C)C)c1=O 67840739 MZVOUNFDGHUOFN-KRWDZBQOSA-N 358.490 1.401 0 50 FDAA COC(=O)[C@H]1CCCN2C(=O)N(c3ccc(C(F)(F)F)nc3)C(=O)[C@@H]12 328594904 FWGNXUAJKZUGTG-GXSJLCMTSA-N 357.288 1.821 0 50 FDAA Cc1conc1NC(=O)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1 328632775 SDTANVPUGSBYAF-AWEZNQCLSA-N 358.402 1.979 0 50 FDAA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)CC(=O)N1CCOCC1 328602496 BSKFCRJFNPVEMG-GJZGRUSLSA-N 370.494 1.155 0 50 FDAA Cn1nccc1NC(=O)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1 328630167 PNYKJSOVHMHNMX-CQSZACIVSA-N 357.418 1.416 0 50 FDAA CC(C)n1cc(C[C@H]2N=C(O)N(Cc3noc4c3CCCC4)C2=O)nn1 328609212 CMAMDZHHSPIFGT-CYBMUJFWSA-N 358.402 1.593 0 50 FDAA CN1CCN(C(=O)c2ccc(O[S@](=O)N3CCCCC3)cc2)CC1 5343249 DQXWQBAJZBWMBY-XMMPIXPASA-N 351.472 1.518 0 50 FDAA Cc1c(Br)cnn1CCC(=O)N1N=CC[C@@]1(O)C(F)(F)F 6527567 MSWPLBSUHXXTMI-SNVBAGLBSA-N 369.141 1.813 0 50 FDAA O=S(=O)(c1c[nH]c2ncccc12)N1CCN(c2cc(C3CC3)[nH]n2)CC1 330211414 JGAKLUHQBWJHCU-UHFFFAOYSA-N 372.454 1.674 0 50 FDAA Cc1nc2ncc(C(=O)N(C)Cc3nc4ccccc4s3)c(=O)n2[nH]1 215666020 ZFVNXXGDHPCITC-UHFFFAOYSA-N 354.395 1.608 0 50 FDAA Cc1ccc(CNC(=O)C[C@@H]2COCCN2C(=O)Cn2ccnc2)s1 72421518 VVZJXENRZLMFHG-CQSZACIVSA-N 362.455 1.187 0 50 FDAA Cc1ccc(CN2CCN(C(=O)c3cnc(N(C)C)nc3C)CC2=O)cc1 77516881 MVTVAFRQGOHIKA-UHFFFAOYSA-N 367.453 1.644 0 50 FDAA CCCn1cnnc1CNC(=O)c1cn(Cc2ccccc2Cl)nn1 72153204 ZRQJLFCECIHMRS-UHFFFAOYSA-N 359.821 1.911 0 50 FDAA CN1CCCN(C(=O)NCc2cc(N(C)C)nc3ccccc23)CC1=O 241161282 JZQRNZXIGJWNKA-UHFFFAOYSA-N 355.442 1.675 0 50 FDAA Nc1nc(CCC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)no2)n[nH]1 77427823 JCFXSZFBIDBXPI-LBPRGKRZSA-N 353.386 1.733 0 50 FDAA COc1ccc(CN2C[C@H](C(=O)N3CC[C@@H]([C@@H]4CCOC4)C3)CC2=O)cc1 333069835 KBWMVRDRBNGYOX-KZNAEPCWSA-N 372.465 1.929 0 50 FDAA CCOC(=O)CN(CC(F)(F)F)C(=O)[C@@H]1CC12CCS(=O)(=O)CC2 373569949 XGOHMGZDBIFJOA-JTQLQIEISA-N 371.377 1.155 0 50 FDAA CC(C)(C)c1ccn(C2(C(=O)O)CCN(c3ncnc4[nH]cnc34)CC2)n1 72412392 IOOBTFRFXFXPAZ-UHFFFAOYSA-N 369.429 1.927 0 50 FDAA 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CC(C)c1nc(CN2CCC3(CCC(=O)N([C@H](C)C(=O)O)C3)CC2)no1 91435367 DFUNKLVLWHAQBY-CYBMUJFWSA-N 364.446 1.871 0 50 FDAA CCNc1ncc(C(=O)N2CCN(c3ccc(OC)cc3)C(=O)[C@H]2C)cn1 92061957 ZOYPEPKKINQTFJ-CYBMUJFWSA-N 369.425 1.795 0 50 FDAA Cc1n[nH]c(C)c1CCC(=O)N1CCN(C)[C@]2(CCC(=O)N(C)CC2)C1 95391574 HEHAZUVQKRPNSD-IBGZPJMESA-N 361.490 1.114 0 50 FDAA CCc1cc(C(=O)N2CCN(C)[C@@]3(CCC(=O)N(CC)CC3)C2)ccn1 91859363 OLWSMRXKADQKPF-HXUWFJFHSA-N 358.486 1.803 0 50 FDAA Cc1nn(CCO)cc1CN1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N2 95381515 VWXUKMAQACBCGH-LJQANCHMSA-N 368.481 1.822 0 50 FDAA CCc1c(C)nn(C)c1NC(=O)NC[C@@H](c1cccnc1)N1CCOCC1 95518886 QRRQJULQDJDAOA-KRWDZBQOSA-N 372.473 1.881 0 50 FDAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)C[C@H]2CNCCO2)C3)cc1 96142255 KCOGRMJTYFVLPJ-HNNXBMFYSA-N 356.426 1.349 0 50 FDAA O[C@H]1COC[C@@H]1N1CCCN(Cc2ccc(CN3CCCC3)s2)CC1 97823501 RJVYELLMSWQHQO-OALUTQOASA-N 365.543 1.611 0 50 FDAA C=CC(=O)NCCC(=O)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F 180304835 FEWRPXTWLUKPPC-HNNXBMFYSA-N 369.343 1.397 0 50 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CS(=O)(=O)NC(=O)[C@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1 1875390672 CKKXGAFJVJRURT-AWEZNQCLSA-N 363.439 1.629 0 50 FDAA CCc1nocc1C(=O)N[C@]12CCC[C@@H]1N(c1cc(=O)n(C)cn1)CC2 1875406113 XDSMYBLLLHZECI-KSSFIOAISA-N 357.414 1.262 0 50 FDAA CC(C)Cc1cc(C(=O)N2CCCN(C(=O)c3ccoc3)CC2)nc(N)n1 952869214 MBHFSWBUSISQGG-UHFFFAOYSA-N 371.441 1.839 0 50 FDAA CC(C)c1noc([C@@H]2CCCN2C(=O)[C@@H]2CCCN2S(C)(=O)=O)n1 952971975 WATUZIXCNPGKEY-RYUDHWBXSA-N 356.448 1.281 0 50 FDAA Cc1cc(C)n(CC(=O)N2CC[C@H](Oc3ccnc(CN(C)C)c3)C2)n1 886094581 ACGXGEQHODPTQD-SFHVURJKSA-N 357.458 1.636 0 50 FDAA COc1cccc(CNC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2nccn2C)c1 886091345 HACBJFPSXPLAAV-RDJZCZTQSA-N 356.426 1.655 0 50 FDAA CNS(=O)(=O)C[C@H]1CCCN(C(=O)NCc2cnc(C3CC3)o2)C1 888099958 KGOICFWRXFDYLR-NSHDSACASA-N 356.448 1.023 0 50 FDAA CCCNc1ncc(CN2CC[C@H](NC(=O)c3ccncc3)[C@@H](O)C2)cn1 1565514182 WUYXCYOJPCMFKB-IRXDYDNUSA-N 370.457 1.059 0 50 FDAA CC(=O)N(C[C@H]1CCCN1S(=O)(=O)c1c[nH]c2ncccc12)C1CC1 278190545 UQUCRJDOCLHQKQ-CQSZACIVSA-N 362.455 1.727 0 50 FDAA CCc1ccccc1N1C[C@H](C(=O)N[C@@H](C)CS(C)(=O)=O)CC1=O 172008694 MAJIGAMQVHIXRO-GXTWGEPZSA-N 352.456 1.151 0 50 FDAA CNC(=O)c1ccc(CNC(=O)[C@H](C)c2nnc(O)c3ccccc23)o1 1506422970 BPMOKGUIZJKJBD-SNVBAGLBSA-N 354.366 1.708 0 50 FDAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N2CCN(CC3CC3)CC2)OCC(=O)N1C 1529104166 LPSNUBVHKPUEJF-UXHICEINSA-N 371.481 1.448 0 50 FDAA Cc1ncsc1CCC(=O)N1CC[C@H]2[C@H](CCC(=O)N2CCN)C1 215618148 HLLLBTFRBQDASB-KGLIPLIRSA-N 350.488 1.182 0 50 FDAA CCC(=O)N1CCN(S(=O)(=O)c2sccc2Br)C1 333396324 DWIRXKBGRJJANX-UHFFFAOYSA-N 353.263 1.711 0 50 FDAA COc1cc(C)c(C)cc1S(=O)(=O)N1C[C@@H]2COCC[C@]2(CO)C1 1772709033 HKGKNLROPWXBGA-RHSMWYFYSA-N 355.456 1.332 0 50 FDAA O=C(NCCOc1cccnc1)[C@H]1CCC(=O)N(CCc2ccccn2)C1 11665109 MNQSTEQJQGQNBV-INIZCTEOSA-N 368.437 1.453 0 50 FDAA O=C(NCCN1CCCc2ccccc21)c1cn(C[C@H]2CCCO2)nn1 12308330 ZAVHYDSEEQUNNW-MRXNPFEDSA-N 355.442 1.640 0 50 FDAA CCS(=O)(=O)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21 13679290 FFDJYOXSUJQQNE-QGZVFWFLSA-N 360.435 1.920 0 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353.831 1.997 0 50 FDAA C[C@@H](N1CCN(C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1)C(F)(F)F 153135175 QXCPOONZRPBDEF-KGLIPLIRSA-N 371.407 1.938 0 50 FDAA C[C@@H]1CN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)C[C@@H](C)N1 153273483 NVVYDVFJQURKBD-VXGBXAGGSA-N 371.890 1.702 0 50 FDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(c3ccc(C(N)=O)cn3)C1)CC2 1704354536 FWSPTPHWPPFHCU-LJQANCHMSA-N 352.442 1.521 0 50 FDAA O=C(N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 2325778209 JHXRGGYXELBYBY-WRQOLXDDSA-N 356.422 1.651 0 50 FDAA O=C([C@@H]1CSC(c2ccccc2O)=N1)N1CC[C@@]12CCS(=O)(=O)C2 2325782240 HEZGAFHSLFHWAM-LRDDRELGSA-N 366.464 1.044 0 50 FDAA O=C(NC1CCNCC1)c1cnc(N[C@@H]2CCC[C@]34OCC[C@@H]3C[C@H]24)nc1 2325798559 AICGDKOAQLTXCW-OYRIPWCXSA-N 371.485 1.718 0 50 FDAA O=S1(=O)CCN(CCCc2cccc(OC(F)(F)F)c2)C[C@@H]1CO 2325807583 DSXLWMCYURVQOT-CQSZACIVSA-N 367.389 1.609 0 50 FDAA CO[C@@H](CC(C)C)C(=O)N1CCN(C(=O)c2cnn(C)c2C)C[C@@H]1C 2325827890 TWHHNCPVDLPVPN-BBRMVZONSA-N 350.463 1.463 0 50 FDAA O=C1COc2cc(C(=O)N3CCC[C@]4(CCc5c[nH]nc54)C3)ccc2N1 2356144088 JBEOLHOWFNWDTQ-IBGZPJMESA-N 352.394 1.861 0 50 FDAA N=c1nc2c(c[nH]1)CC[C@]21CCCN(C(=O)c2cnc3ccccc3n2)C1 2356159274 TXZGYIBIIDOYRF-FQEVSTJZSA-N 360.421 1.953 0 50 FDAA Nc1ccc(/C=C/c2ccc(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1 3844586 REJHVSOVQBJEBF-OWOJBTEDSA-N 370.408 1.515 0 50 FDAA in-vitro CC(=O)N/C(=C\c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 4976603 MZEQOECHRBQKRG-FSEPTYSPSA-N 352.390 1.976 0 50 FDAA COC[C@H](C)N1C[C@H](C(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1=O 8245423 NDMWTCDCXSLXGJ-NWDGAFQWSA-N 366.414 1.534 0 50 FDAA O=C(NCCN1CCN([C@H]2COc3ccccc3[C@@H]2O)CC1)C1CCC1 225718491 FGRPQJADFZFPQW-HKUYNNGSSA-N 359.470 1.015 0 50 FDAA CCN1C[C@@]2(CCCN(Cc3cc(=O)n4nc(C)cc4[nH]3)C2)CCC1=O 102157023 MGHJTISNTKZKTF-IBGZPJMESA-N 357.458 1.556 0 50 FDAA COCc1cn(C2CCN(c3nn4cnnc4c4ccccc34)CC2)nn1 63871204 YPFLSLINHHLTSX-UHFFFAOYSA-N 364.413 1.857 0 50 FDAA O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(CCc3ccccc3)CC2)[C@H]2C=C[C@H]1C2 100799739 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368.315 1.206 0 50 FDAA CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(NC(CO)CO)nc2)C1 67459492 CAZPLNQNZYXBBT-HNNXBMFYSA-N 363.458 1.314 0 50 FDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NC2CCC2)c(C)c1C 12579868 PRUQGTGGSLQBEK-KRWDZBQOSA-N 359.470 1.671 0 50 FDAA O=C1CC[C@]2(CCCN(C(=O)CCn3cc(Cl)cn3)C2)CN1CCO 77503478 CGOWFWMONVFUCJ-KRWDZBQOSA-N 368.865 1.150 0 50 FDAA NC(=O)c1ccccc1NC(=O)c1n[nH]cc1I 5642486 MOYVGDPNSCTKMB-UHFFFAOYSA-N 356.123 1.366 0 50 FDAA Cc1nn(C)cc1NC(=O)CN1CCC(=O)N(CC2CC2)[C@@H](C(C)C)C1 71745887 BOGONPYCNKQGGI-QGZVFWFLSA-N 361.490 1.636 0 50 FDAA Cn1ncc2c(NCCN3CCCC[C@@H]3CO)nc(-c3ccncc3)nc21 72423116 CUIUCZHDKJVUFJ-OAHLLOKOSA-N 367.457 1.684 0 50 FDAA c1cn(-c2ccc(CN3CCCO[C@@H](CN4CCOCC4)C3)cc2)cn1 215810821 VALXMQPQLALZTD-FQEVSTJZSA-N 356.470 1.795 0 50 FDAA Cn1ccnc1[C@@H](O)c1cc2n(n1)CCN(C(=O)NCc1ccco1)C2 219497116 RVDIGHXNJTVWCT-HNNXBMFYSA-N 356.386 1.017 0 50 FDAA Cc1c(-c2nccn2[C@@H]2C=CS(=O)(=O)C2)c(=O)n(-c2ccccc2)n1C 72169908 WIGMLAHQQHFXIW-OAHLLOKOSA-N 370.434 1.831 0 50 FDAA 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KFPUXJXBMCITEQ-HXUWFJFHSA-N 358.486 1.276 0 50 FDAA NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccc3c(c2)OCO3)CC1 978057 UBGFBFUWBAPYFX-UHFFFAOYSA-N 359.426 1.361 0 50 FDAA biogenic C[C@@H](Cn1cc(Br)cn1)c1nc2c3cnn(C)c3ncn2n1 2802705 QGTGMDSWBYJUEY-QMMMGPOBSA-N 361.207 1.774 0 50 FDAA NCCN1C(=O)CC[C@H]2CN(Cc3cccn3-c3nccs3)CC[C@H]21 72418231 XDKSSSMBXINAOV-GOEBONIOSA-N 359.499 1.705 0 50 FDAA COCCN1CC[C@@H](CNc2nc(-c3ccncc3)nc3c2cnn3C)C1 72479811 BQVVYKKNXQQEBM-AWEZNQCLSA-N 367.457 1.806 0 50 FDAA CC(C)O[C@@H]1C[C@@H](NS(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)C1(C)C 333147668 ADTGDJLRKKPORY-MGPQQGTHSA-N 367.533 1.323 0 50 FDAA Cn1ccnc1[C@@H](O)C1CCN(C(=O)COCCc2ccccc2)CC1 124703749 ZIKXBVMETBQLIR-IBGZPJMESA-N 357.454 1.951 0 50 FDAA CN(C)C(=O)NC[C@@H]1CCN(Cc2coc(-c3ccccc3)n2)C[C@H]1O 72481160 NGWVZYKORAGRGG-DOTOQJQBSA-N 358.442 1.796 0 50 FDAA CCCS(=O)(=O)NC1CCN(C(=O)C(C)(C)c2c(C)noc2C)CC1 331186501 OWBWDOQCCDRHAC-UHFFFAOYSA-N 371.503 1.889 0 50 FDAA Cc1c[nH]c(C(=O)N2CCc3c(nc(-c4ccccn4)nc3N(C)C)C2)n1 71576035 DKSRAKNSPUJYQT-UHFFFAOYSA-N 363.425 1.835 0 50 FDAA Cc1nn(CC(=O)N2CCC[C@@]3(CC2)CNC(=O)O3)c(=O)c2ccccc12 72162712 DMTWJDDEMXIUPZ-LJQANCHMSA-N 370.409 1.196 0 50 FDAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C 333009401 QEUJLOUDZWNFJN-PNDGYWDASA-N 362.474 1.980 0 50 FDAA Cn1cc([C@@H](NC(=O)CCc2n[nH]c3c2CCCC3)[C@H]2C[C@@H](O)C2)cn1 219136621 DCGBRLFOWXJFDZ-PJFSTRORSA-N 357.458 1.583 0 50 FDAA Cn1c(S)nc2cc(C(=O)N[C@H]3CCO[C@@H](C4CC4)C3)ccc2c1=O 157029370 WYRZNNANMYHJMX-SWLSCSKDSA-N 359.451 1.910 0 50 FDAA O=C(O)[C@]12CCCN(Cc3cccnc3)[C@@H]1CCN(c1cnccn1)C2 72462675 VHYPGRQNZDAODD-APWZRJJASA-N 353.426 1.817 0 50 FDAA Cn1c(CO)nnc1[C@H]1CCCN(C(=O)Cn2ncc3ccccc32)C1 217723790 GKSOTKVUWQXTAG-AWEZNQCLSA-N 354.414 1.063 0 50 FDAA O=C(O)[C@@H]1CN(c2ncccn2)CCN1C(=O)c1nccc2ccccc12 71759795 XAXQYMTZHZYFIR-HNNXBMFYSA-N 363.377 1.440 0 50 FDAA CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)[C@@H](N)C(C)(C)C)C2 71764323 XUEWCKHNHUTOJP-MRXNPFEDSA-N 368.485 1.863 0 50 FDAA COc1cc(CN2CCC(N3CCCC3=O)CC2)ccc1OCC(N)=O 71776400 FOEWIJDCWDBJRW-UHFFFAOYSA-N 361.442 1.146 0 50 FDAA COc1ccccc1CC(=O)N1CCC[C@@](O)(c2cn(C(C)C)nn2)C1 284831325 KKGCOMGEIDXBDS-IBGZPJMESA-N 358.442 1.920 0 50 FDAA COc1cc(C(=O)N(C)C[C@@H]2OCCN(C)[C@H]2c2ccccc2)nn1C 285523853 WHEPZRPBFGXMOQ-WMZOPIPTSA-N 358.442 1.573 0 50 FDAA CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(C(=O)c2cnn3c2CCCC3)C1 285869351 RGCUAPRMXGBIOY-DOMZBBRYSA-N 356.430 1.817 0 50 FDAA COCCCN(C(=O)c1cn(-c2ccccc2)nn1)C1CCN(C)CC1 291160170 KHCNFSKWQAMTNI-UHFFFAOYSA-N 357.458 1.840 0 50 FDAA O=C(NCc1cnn(Cc2ccccc2)c1)N1CCN2C(=O)OC[C@H]2C1 426475585 WLWLPJNJDGPAMH-MRXNPFEDSA-N 355.398 1.277 0 50 FDAA CN(C)CCN1C[C@@]2(CCCN(C(=O)CCc3ccccn3)C2)CCC1=O 82108824 SKNZYKOSJHRVDX-NRFANRHFSA-N 372.513 1.807 0 50 FDAA O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1)c1ccc(Cn2cccn2)o1 223435016 TZWIBGHHRWOWPP-BZZMCLGOSA-N 356.426 1.506 0 50 FDAA Cc1c(CNC(=O)N2CCC([C@H](C)N3CCN(C)CC3)CC2)cnn1C 426443095 XCBAZFOMNHCSRK-INIZCTEOSA-N 362.522 1.286 0 50 FDAA CC(C)(C)N1C[C@@H](C(=O)NCc2noc(Cc3ccccc3)n2)CC1=O 91665638 XGMXTIZOOWBJEQ-AWEZNQCLSA-N 356.426 1.924 0 50 FDAA O=C(NCCNC(=O)c1cccnc1)NCc1nncn1C1CCCCC1 426658151 AUFREOYSIPXNIO-UHFFFAOYSA-N 371.445 1.408 0 50 FDAA O=C1CN(c2ccc(C(=O)N3CCC(Cn4cccn4)CC3)cc2)C(=O)N1 95362300 KIWWXQLFMUVUST-UHFFFAOYSA-N 367.409 1.492 0 50 FDAA O=C(CCC1CCN(C(=O)CO)CC1)N[C@H]1CCN(Cc2ccccc2)C1 95506883 DKPFMYJRKNFXGM-IBGZPJMESA-N 373.497 1.388 0 50 FDAA NS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H]2OCCc3ccccc32)c1 95374780 NWJUEWDLOFJZIO-MRXNPFEDSA-N 364.398 1.517 0 50 FDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cc[nH]c1C)CC2 95529718 NROIMPVGLFKDQH-UHFFFAOYSA-N 355.442 1.972 0 50 FDAA O=C(NCCN1CCOCC1)c1ccc(-c2cnn3cccnc23)cc1 426691169 JDHRFQBUWPADRU-UHFFFAOYSA-N 351.410 1.458 0 50 FDAA O=C(CN1CCc2ccccc2C1=O)N[C@H]1CCCN(CC(F)(F)F)C1 293544691 DHGAQMSSVQKWSC-AWEZNQCLSA-N 369.387 1.828 0 50 FDAA CN1CCN(C(=O)Nc2ccc3c(c2)OCO3)C[C@]12CCNC(=O)CC2 91325477 OCKUUYYMXMSWFU-SFHVURJKSA-N 360.414 1.234 0 50 FDAA NC(=O)Cc1nc(-c2ccc3c(c2)ncn3CCO)n(C2CCCCC2)n1 96131564 FIESYSCYAYMXIM-UHFFFAOYSA-N 368.441 1.820 0 50 FDAA CN1CCN(Cc2cc(=O)c3cc(F)ccc3[nH]2)C[C@]12CCNC(=O)CC2 91725899 CKYVIDKGNMHYJW-FQEVSTJZSA-N 372.444 1.454 0 50 FDAA O=C(NCCCc1nnc2ccccn12)[C@@H]1CC(=O)N(C2CCCC2)C1 91575292 KTDMBIDFLLFNGM-CQSZACIVSA-N 355.442 1.569 0 50 FDAA Cc1nc(N(C)C)ncc1C(=O)N1CCN(Cc2ccccc2)C[C@@H](O)C1 95520412 PQMONGPTDOMNIZ-QGZVFWFLSA-N 369.469 1.170 0 50 FDAA NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CCOc3ccccc3C2)cc1 95508994 CVIAKVJHQVMOQL-MRXNPFEDSA-N 374.462 1.634 0 50 FDAA O=C(NC1CCN(C2CCSCC2)CC1)c1ccccc1-c1nnn[nH]1 97784779 JTZOWYOZNAKWMA-UHFFFAOYSA-N 372.498 1.957 0 50 FDAA CCn1c(C)nnc1SCCNC(=O)c1cnc(-c2ccncc2)nc1 97572268 IFWJSFYCWAMBEA-UHFFFAOYSA-N 369.454 1.981 0 50 FDAA CCOc1ccccc1CN(C(=O)CN1CCC(C(N)=O)CC1)C1CC1 92020864 NASDGLUJLWMTAC-UHFFFAOYSA-N 359.470 1.774 0 50 FDAA CCC[C@H]1CN(Cc2cc(=O)[nH]c(C)n2)C[C@@H]1NS(=O)(=O)CCC 91988333 OFFLQBYTSNQHQE-ZFWWWQNUSA-N 356.492 1.008 0 50 FDAA CCN(C(=O)c1cnc(-c2cccnc2)nc1C)[C@H]1CCS(=O)(=O)C1 95387464 MNEXTJZEHWHSQH-AWEZNQCLSA-N 360.439 1.496 0 50 FDAA CCOc1ccc(CC(=O)N[C@H]2C[C@@H](c3nnc(CO)n3CC)C2)cc1 252572006 YTEKTRKNDNZQSJ-GASCZTMLSA-N 358.442 1.794 0 50 FDAA CNC(=O)Cn1cc(-c2ccc(C(=O)N3CCC[C@](C)(O)CC3)cc2)cn1 534648685 JEFKIMSTVCGSOA-FQEVSTJZSA-N 370.453 1.673 0 50 FDAA COCc1nc2n(n1)C[C@@H](NC(=O)c1cn(CC(F)(F)F)nc1C)CC2 268694046 SFJWVSWMRQVDEO-JTQLQIEISA-N 372.351 1.237 0 50 FDAA OCCNc1nc([C@H]2CCOC2)cc(N2CCOc3ccccc3C2)n1 299798699 QZIXAKUANYJHQF-HNNXBMFYSA-N 356.426 1.784 0 50 FDAA COc1nccnc1-c1cccc(C(=O)NCc2nnc3n2CCC3)c1 299755440 CYRRSCBPXSQPGN-UHFFFAOYSA-N 350.382 1.620 0 50 FDAA COc1ccc(-c2cc(CNC(=O)[C@H]3CCS(=O)(=O)C3)no2)cc1 299776785 LQAKHHGULQOGOC-LBPRGKRZSA-N 350.396 1.401 0 50 FDAA CC(C)N1CCNC(=O)[C@@H]1Cc1nc(-c2cccc3c2ccn3C)n[nH]1 828315063 YZGYUQJRRMEJAE-INIZCTEOSA-N 352.442 1.715 0 50 FDAA O=C(NC1CCN(Cc2ccccc2Cl)CC1)N1CC[C@](O)(CO)C1 828697029 CZTWHUSBFXJEBN-GOSISDBHSA-N 367.877 1.443 0 50 FDAA CN(C)C(=O)c1ccc(CNC(=O)N2CCC[C@H](Cn3ccnc3)C2)o1 584886006 YRKLCOCRZZYPSV-CQSZACIVSA-N 359.430 1.800 0 50 FDAA COC(=O)[C@@H]1c2c[nH]nc2CN1C(=O)[C@@H](C)Oc1ccc2c(c1)CCC2 1875295695 ODPDEYCQMPAPCS-DIFFPNOSSA-N 355.394 1.922 0 50 FDAA Cc1ccc2ncc(C(=O)N(C)C3CCN(C(=O)[C@H](C)O)CC3)cc2c1 1875345193 VNLNTVGWPBKFRR-AWEZNQCLSA-N 355.438 1.987 0 50 FDAA C=CC(=O)N[C@H](Cc1cc(Br)c(O)c(F)c1F)C(=O)O 1875388102 MVSODCVZLDWHPL-SSDOTTSWSA-N 350.115 1.731 0 50 FDAA C=CC(=O)N1CCN(C(=O)[C@@H](C)n2c(C)nc3ccccc3c2=O)[C@@H](C)C1 1875381046 IHLMFLWXXKZNCL-UONOGXRCSA-N 368.437 1.511 0 50 FDAA Cn1cc(CN[C@@H]2C[C@H](Cn3ccnc3-c3ccccc3)C[C@H]2O)nn1 1875399258 UCNOFYGATPSSCT-BMGDILEWSA-N 352.442 1.608 0 50 FDAA COC(=O)/C=C/C(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 1875379407 TYBMXVLQPIINIY-VOTSOKGWSA-N 370.327 1.719 0 50 FDAA CN(C[C@H]1CCCN1C(=O)c1csc(O)n1)c1cc2nncn2cn1 1875346961 FQPFQKKOWTWSHR-SNVBAGLBSA-N 359.415 1.027 0 50 FDAA C=CC(=O)N1CC2(CC[C@H](CNC(=O)c3ccc(Cn4cccn4)o3)O2)C1 1875389158 DWJBMLBFDXYGIA-CQSZACIVSA-N 370.409 1.200 0 50 FDAA Cn1nncc1CC(=O)N1CC[C@](c2nc(C3CC3)no2)(C(F)(F)F)C1 952895155 RRYKJLSOUBQXJY-AWEZNQCLSA-N 370.335 1.351 0 50 FDAA CN(C(=O)c1cccn(Cc2ccccc2)c1=O)C1CCS(=O)(=O)CC1 1875262540 KYABURBPUBVIBJ-UHFFFAOYSA-N 374.462 1.546 0 50 FDAA Cc1c(S(=O)(=O)N2C[C@](C)(O)CO2)cnn1-c1ccccc1Cl 1875298017 LYBWSHGWQXFLHJ-AWEZNQCLSA-N 357.819 1.521 0 50 FDAA CCS(=O)(=O)NCCn1cc([C@H](O)c2ccc(Cl)cc2F)nn1 881287452 PQFBHGBVLXLCEJ-CYBMUJFWSA-N 362.814 1.092 0 50 FDAA CCCCc1ncc(CN2CCC3(CC2)CN(S(C)(=O)=O)CCO3)[nH]1 952867533 OBPLDTZGHAPSQK-UHFFFAOYSA-N 370.519 1.379 0 50 FDAA Cc1cc(C(=O)N2CCC3(CC2)CN(c2cnccn2)CCO3)nc(C)n1 952976091 UWOZPBGHOGMSQC-UHFFFAOYSA-N 368.441 1.395 0 50 FDAA CN(CC[C@H]1CCCCO1)S(=O)(=O)c1ccc(OCC(N)=O)cc1 952871697 BOXJWFZKHKHILE-CYBMUJFWSA-N 356.444 1.130 0 50 FDAA Cn1ccnc1[C@@H]1[C@@H](C(=O)NCCc2ccc[nH]2)CCC(=O)N1C1CC1 888076573 UGPXBZXDVRSRQZ-RDJZCZTQSA-N 355.442 1.549 0 50 FDAA O=S(=O)(c1c[nH]c2ncc(Br)cc12)N1CCO[C@@H]2C[C@@H]21 888101328 KHPCECVDINTMFB-VHSXEESVSA-N 358.217 1.487 0 50 FDAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)C(C)(C)Oc2ccc3c(c2)CCC3)CN1C 95531331 IEMODIMBHUIBMP-AEFFLSMTSA-N 373.497 1.658 0 50 FDAA CO[C@@H]1[C@@H](C)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)C1(C)C 222147112 QMMHCRCDXOEHQA-IQDGUBICSA-N 373.475 1.134 0 50 FDAA O=C(NCCOc1ccc2c(c1)OCO2)c1n[nH]c2ccccc2c1=O 170624077 BNKUTGSVUDKZSK-UHFFFAOYSA-N 353.334 1.461 0 50 FDAA Cc1sc(=O)n(CCC(=O)N2CCc3ccccc3[C@H]2C(N)=O)c1C 170627220 ZANJXVJFOIKNKA-INIZCTEOSA-N 359.451 1.528 0 50 FDAA CN1Cc2ccccc2[C@H](NC(=O)CCc2nc(O)c3cnn(C)c3n2)C1 757602244 LSMXRFRPTGYKPP-OAHLLOKOSA-N 366.425 1.304 0 50 FDAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NC2(C)CCCC2)cc1OC 1529151248 IVIBOMZFORCPFN-SJORKVTESA-N 362.426 1.709 0 50 FDAA Cc1nccn1CC(=O)N1CCCN(Cc2cccc3nonc23)CC1 1529089651 SJJYITDDBIXNAI-UHFFFAOYSA-N 354.414 1.462 0 50 FDAA CCNC(=O)c1ccc(NCC[C@@H]2CCCCN2S(C)(=O)=O)nc1 1704332509 YSICFGYOMQFBDI-AWEZNQCLSA-N 354.476 1.447 0 50 FDAA CC(C)Oc1ccc(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1 1704338314 RBUMQNANOMIBPB-HOCLYGCPSA-N 370.471 1.110 0 50 FDAA COCCc1noc(CN2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)n1 1704302710 RMXYZHWJFSZFGW-CRAIPNDOSA-N 368.437 1.842 0 50 FDAA Cn1cncc1C(=O)N1C[C@@H]2CN(C/C=C/c3ccccc3)C[C@@]2(CO)C1 1775980871 JYDMGLXTQOFRIL-NLOMCHEHSA-N 366.465 1.500 0 50 FDAA CCNC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 11667910 PXEQGKOZIAQISZ-MRXNPFEDSA-N 373.501 1.604 0 50 FDAA CC(C)CN1CC[C@H](CNC(=O)c2ccc(N3CCN(C)CC3)nc2)C1 11766591 GRCIIBUSTQNLLJ-QGZVFWFLSA-N 359.518 1.541 0 50 FDAA C[C@@H](Cn1cncn1)NC(=O)c1cc(COc2ccc(F)cc2F)[nH]n1 11936117 HHDHKWRBPXFAGY-JTQLQIEISA-N 362.340 1.677 0 50 FDAA CC(=O)N1CCN(S(=O)(=O)c2ccc(N3CCCCC3=O)cc2)CC1 12002198 SVCIOLFJCZJOGV-UHFFFAOYSA-N 365.455 1.056 0 50 FDAA O=C(CCS(=O)(=O)c1ccccc1)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 223692438 IDDJTHOHAOMNPE-ZRGWGRIASA-N 374.462 1.874 0 50 FDAA CC(=O)N[C@H](C)CC(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1 1857730009 MIQCKGCAXRIPDW-CQSZACIVSA-N 354.454 1.929 0 50 FDAA CN(Cc1ccccc1CN1CCCC1)C(=O)c1cc(-n2cnnn2)n[nH]1 1857670375 KRWCICHBERDBPJ-UHFFFAOYSA-N 366.429 1.253 0 50 FDAA O=C(C1CCN(C2CCCC2)CC1)N1CC[C@H](O)[C@@]2(CCCNC2=O)C1 1857704928 LLMNQPWIMQQWDT-FXAWDEMLSA-N 363.502 1.131 0 50 FDAA O=C(NCc1cccnc1)[C@H]1CC(=O)N(c2nnc(C(F)(F)F)s2)C1 1857711788 MMRZTDUWQIYVQR-VIFPVBQESA-N 371.344 1.621 0 50 FDAA O=C(NC[C@H]1[C@H]2CN(c3ncccn3)C[C@]23CC[C@H]1O3)c1ccsc1 1857734263 GVVGYICNGJFQTJ-LUXYFRNMSA-N 356.451 1.952 0 50 FDAA Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1N 113254709 RCKYXYXLIJBCOE-UHFFFAOYSA-N 350.361 1.822 0 50 FDAA in-vitro Cn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)c2ccc(F)cc2F)cn1 328618558 DWDFRXDPASZCMM-AWEZNQCLSA-N 355.366 1.310 0 50 FDAA Cc1ncc2c(n1)CCC[C@H]2NC(=O)Cn1cc(Br)cn1 734801422 NXMUFEICAIMVAB-CYBMUJFWSA-N 350.220 1.938 0 50 FDAA CNC[C@@H]1CCCN1S(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1 237162725 VLFQJEVPRUXGFJ-ZDUSSCGKSA-N 352.435 1.692 0 50 FDAA CN(C)S(=O)(=O)CCC(=O)N1CC[C@]2(CCc3ccccc3O2)C1 366469677 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1138693 CMWOKVZTUPINSH-UHFFFAOYSA-N 362.342 1.068 0 50 FDAA CC(C)S(=O)(=O)c1ccc(C(=O)NCC2(S(C)(=O)=O)CCC2)cc1 225428888 PXDGGUBOOBXKQA-UHFFFAOYSA-N 373.496 1.566 0 50 FDAA COc1cccc(CN2CCN(c3nccnc3OC)C[C@H]2CCO)c1 106987214 NCWAMPJFHKCFDN-MRXNPFEDSA-N 358.442 1.567 0 50 FDAA CC(C)[C@]1(C)CC(=O)N(Cc2cccc(S(=O)(=O)N(C)C)c2)C1=O 116874840 OOQZHTHPVNPPQU-KRWDZBQOSA-N 352.456 1.858 0 50 FDAA NCCCNc1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1 67756092 WQSGAGVTVFRJTI-UHFFFAOYSA-N 359.474 1.317 0 50 FDAA CNc1nc(C(N)=O)c(NC(=O)c2ccccc2-c2nccn2C)s1 1506405654 KRBSPSQXLQLXOT-UHFFFAOYSA-N 356.411 1.937 0 50 FDAA Cc1cc(C)n(CCC(=O)N2CCC(Nc3ncccn3)CC2)c(=O)n1 63882601 YONQJNBZYUOEMX-UHFFFAOYSA-N 356.430 1.143 0 50 FDAA COc1cccc(N2Cc3nn(CC(=O)N4CCCCC4)c(=O)n3C2=O)c1 65363552 AVMNRCLYKGYARW-UHFFFAOYSA-N 371.397 1.054 0 50 FDAA COC(=O)c1cccc([C@H]2CC(=O)Nc3cc4c(cc32)NC(=O)CO4)n1 65492317 BMBYACBNHCYUET-JTQLQIEISA-N 353.334 1.673 0 50 FDAA Cc1cccc([C@@H]2CCCN2C(=O)Cc2c(C)[nH]c3ccnn3c2=O)n1 119066562 GXEWYRTZQRNEJG-INIZCTEOSA-N 351.410 1.941 0 50 FDAA CCn1ncnc1[C@H]1CC(=O)Nc2cc(NC(=O)CN3CCCC3)ccc21 65454255 YCWKROICEWWOAR-HNNXBMFYSA-N 368.441 1.806 0 50 FDAA CN(C)c1ccc(N[C@H]2CCCN(C(=O)Cn3ccccc3=O)CC2)cn1 328651551 VZQWAYSACQBMFP-INIZCTEOSA-N 369.469 1.803 0 50 FDAA CCOC(=O)CNC(=S)N(C)[C@@H]1c2cccc(OC)c2OC[C@H]1CO 3134537 GSNMSGVXLXAOLE-ABAIWWIYSA-N 368.455 1.107 0 50 FDAA Cc1csc(NC(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1 128668394 AGEAUQYDWHJDBC-CYBMUJFWSA-N 351.476 1.612 0 50 FDAA COCCNC(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)N1CC=CCC1)CO2 71422497 IRBHAJPASSYTQO-INIZCTEOSA-N 373.453 1.439 0 50 FDAA CCc1nccn1[C@H]1CCCN(C(=O)NC[C@H]2CCCS2(=O)=O)C1 124689864 CMPCVCRWUQQYJY-UONOGXRCSA-N 354.476 1.369 0 50 FDAA O=C(Nc1ccc(F)cc1)[C@H]1CNCCN1C(=O)c1ccc2[nH]cnc2c1 72162466 UZOPFFCNLAXYFX-QGZVFWFLSA-N 367.384 1.755 0 50 FDAA CCC(CC)N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2ccon2)[C@@H]3C1=O 77374912 SGUJHMOEMIKTFW-MKSNKDDYSA-N 359.426 1.604 0 50 FDAA NC(=O)CCC(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 72128096 HKPAWFPXOSEPJG-MJXNMMHHSA-N 363.408 1.619 0 50 FDAA O=C(CSc1ccccn1)NC[C@H](c1ccncc1)N1CCOCC1 215149998 QTTRTCZMCZLLFK-MRXNPFEDSA-N 358.467 1.758 0 50 FDAA O=S(=O)(NCCc1nc(Cc2ccccc2)no1)NCc1ccccc1 71576074 PQMFYCMPJJPQPC-UHFFFAOYSA-N 372.450 1.827 0 50 FDAA Cc1cc(-c2cn3cc(C(=O)NC4CCNCC4)nc3c(=O)n2C)c(C)o1 72435368 FRJIVZIEZXGAJJ-UHFFFAOYSA-N 369.425 1.392 0 50 FDAA O=C(c1csc2ccccc12)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 333790146 XKNWNDIHYQTKQQ-DZGCQCFKSA-N 351.449 1.929 0 50 FDAA CCn1cc(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)c2ccccc21 333755834 OAVLMPSQZHFSOP-DLBZAZTESA-N 362.451 1.689 0 50 FDAA COc1ccc(C(=O)N2CCN(C(=O)c3cc(C)c(C)[nH]c3=O)CC2)cc1 72440068 BBGDNGCKKWPTFB-UHFFFAOYSA-N 369.421 1.599 0 50 FDAA O=C(O)C[C@H](NC(=O)Cn1c(=O)[nH]c2ccccc21)c1ccc(F)cc1 237948931 CUCQEXYQSPCNNW-AWEZNQCLSA-N 357.341 1.801 0 50 FDAA COc1cc(CNC(=O)c2cc(C)c(C)n(C)c2=O)cc(OC)c1OC 216285422 KKESZNRIVNLYTR-UHFFFAOYSA-N 360.410 1.958 0 50 FDAA COC[C@H](C)Nc1nc(C)nc2c1CCN(C(=O)c1ncoc1C)CC2 72431964 MGTQCWUOQAMNKF-NSHDSACASA-N 359.430 1.769 0 50 FDAA CCCOC(=O)N1CCC(c2nnc(CN3CCOCC3)n2C)CC1 77322538 HMGZESXEDQPYRW-UHFFFAOYSA-N 351.451 1.373 0 50 FDAA O=C(NCCCc1nc2cc(F)ccc2[nH]1)[C@@H]1CC2(CCNCC2)CN1 72157487 ZIZLMNRJDPLPDR-INIZCTEOSA-N 359.449 1.483 0 50 FDAA Cc1cc(C(F)(F)F)n(C[C@H](C)CNC(=O)c2nc[nH]c2C(=O)O)n1 215980494 HSRVQXSRTFAHDA-SSDOTTSWSA-N 359.308 1.698 0 50 FDAA CCN1CC2(CCN(C(=O)CCn3nnc4ccccc43)CC2)OC1=O 77457713 LLDDZSMGNXHIPQ-UHFFFAOYSA-N 357.414 1.655 0 50 FDAA COc1ccccc1[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 72441337 AGQITUGTJZIYMR-KBPBESRZSA-N 369.487 1.391 0 50 FDAA CCCc1cn(C[C@@H]2CCCN(C(=O)c3nc4ncccn4n3)C2)nn1 48376268 MOKCYBWWHPJOPH-CYBMUJFWSA-N 354.418 1.221 0 50 FDAA COCCN1C[C@H](c2nn3c(Cc4ccccc4)nnc3s2)CC1=O 71639745 ICJYVECENVUKBG-CYBMUJFWSA-N 357.439 1.739 0 50 FDAA C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1C(=O)C(=O)NCCCc1ccccc1 285610350 UYKOFQBRPRMKNN-OPYAIIAOSA-N 374.481 1.514 0 50 FDAA CCc1n[nH]c(SCC(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)n1 82171149 XLFCNSOOTNWSJD-UHFFFAOYSA-N 359.455 1.643 0 50 FDAA Cc1oc(-c2cnn(C)c2)nc1C(=O)NC1CCN(C[C@H]2CCOC2)CC1 177490835 SHFWPJHJVYSLOF-CQSZACIVSA-N 373.457 1.614 0 50 FDAA Nc1cccc(-c2ccc(C(=O)N3CCN([C@@H]4CCNC4)CC3)cc2)n1 426397323 BGZZIGAGQUKODZ-QGZVFWFLSA-N 351.454 1.451 0 50 FDAA CN(C)Cc1nc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)cs1 222918487 JWYJNBNJVXDIIZ-TZMCWYRMSA-N 362.455 1.566 0 50 FDAA COCC(=O)N1CC[C@]2(CCCN(Cc3cc(OC)ccc3F)C2=O)C1 426677987 JQPNOOVLGBBDGR-LJQANCHMSA-N 364.417 1.822 0 50 FDAA O=C1COc2ccc(S(=O)(=O)N3CCO[C@H](c4ccccc4)C3)cc2N1 514528941 JLUICLLDPHTALA-KRWDZBQOSA-N 374.418 1.780 0 50 FDAA O=C(c1cnc(O)cc1O)N1CCC2(CC1)Nc1ccccc1NC2=O 82109379 HZBPFTLFIIUBGD-UHFFFAOYSA-N 354.366 1.532 0 50 FDAA Cc1nnc(CC(=O)N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)o1 291978407 QPPIDCQSBBOHMW-UHFFFAOYSA-N 366.425 1.451 0 50 FDAA COCc1nc(-c2csc(C)n2)nn1-c1ccc(S(N)(=O)=O)cc1 95374074 CYIUQJFHPRVYMB-UHFFFAOYSA-N 365.440 1.493 0 50 FDAA O=C(CCN1Cc2ccccc2C1=O)N1CCC2(CC1)OCCC[C@@H]2O 91468965 HLXPUNKFZLQYDV-KRWDZBQOSA-N 358.438 1.565 0 50 FDAA COCC[C@]1(O)CCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)C[C@H]1C 91434432 GLOWNKBFCRWQJA-CWTRNNRKSA-N 362.401 1.917 0 50 FDAA CCCN1CCC[C@@]2(CCN(c3nc4c(cc3C(N)=O)CCC4)C2)C1=O 91364904 KNZOZXFYOYIEPS-FQEVSTJZSA-N 356.470 1.898 0 50 FDAA Cc1nnc(SCc2nc(CC(N)=O)nn2-c2ccc3c(c2)CCC3)o1 97259188 GPNXJEOOSOCIHX-UHFFFAOYSA-N 370.438 1.768 0 50 FDAA OCCO[C@@H]1CCCN(Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 179580504 WPFSYKBNZILFNK-MRXNPFEDSA-N 359.426 1.821 0 50 FDAA O=C(NCc1n[nH]c(-c2ccccc2)n1)[C@@H]1CCCN(C2CCOCC2)C1 95363522 LAKMZPGXGRDAEZ-MRXNPFEDSA-N 369.469 1.979 0 50 FDAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)CCc2scnc2C)CN1C 95523196 DFHRQAZKBXVIFV-KGLIPLIRSA-N 352.504 1.441 0 50 FDAA Cc1ccc2ncc(C(=O)N[C@H]3CCCN(CC(F)(F)F)C3)c(=O)n2c1 293538604 CNWYGOGKHSRWIL-LBPRGKRZSA-N 368.359 1.759 0 50 FDAA NC(=O)c1noc(CN2C[C@H]3CC[C@@H]2CN(Cc2ccc(F)cc2)C3)n1 91819023 KLWVRYPEUOZRJM-DZGCQCFKSA-N 359.405 1.404 0 50 FDAA Cc1ccccc1OC1CN(C(=O)COc2ccc(-n3cnnn3)cc2)C1 91859665 DTEVCMFUENANEO-UHFFFAOYSA-N 365.393 1.639 0 50 FDAA CC(C)[C@H]1C=CCN1S(=O)(=O)c1cccc(C(=O)N2CCNCC2)c1 97360116 HYIXKDYQDFWWLX-QGZVFWFLSA-N 363.483 1.317 0 50 FDAA Cc1nc(CN2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)n[nH]1 91894820 FGSXMOOSQWJKDN-UHFFFAOYSA-N 354.458 1.913 0 50 FDAA O=C(NC[C@@H](c1ccco1)N1CCCCC1)N1CCOC[C@H]1c1nc[nH]n1 294223169 NHKYXEIIJCXWNF-GJZGRUSLSA-N 374.445 1.708 0 50 FDAA COc1ccccc1-c1ncc(CNC(=O)CC[C@H]2NC(=O)NC2=O)s1 91858506 PRVMCICMLQHYBT-GFCCVEGCSA-N 374.422 1.423 0 50 FDAA O=C(Cn1nnnc1CN1CCCC1)NCc1csc2c1CCCC2 95530183 HVYWAFNNMHAYLU-UHFFFAOYSA-N 360.487 1.526 0 50 FDAA CN1CC[C@]2(CCC1=O)CN(Cc1ccc3c(c1)OCCO3)CCN2C 95375069 OMKKPVFWGLBFLA-HXUWFJFHSA-N 359.470 1.586 0 50 FDAA CS(=O)(=O)Nc1ccc(F)c(NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](O4)[C@H]3C2)c1 97756383 SOPGXMMVONWOAV-AGCIHXOGSA-N 369.418 1.838 0 50 FDAA Cc1cc(S(N)(=O)=O)cc(C(=O)NC[C@@H](CO)C2CCCCC2)c1C 294562957 MXDQLPVWJLEIJA-HNNXBMFYSA-N 368.499 1.869 0 50 FDAA O=C(NCCc1cn2ccsc2n1)[C@@H]1CC(=O)N(Cc2ccncc2)C1 95357807 FUWBFLYHNRFTSB-CQSZACIVSA-N 369.450 1.498 0 50 FDAA CCCSCC(=O)N[C@@H]1C[C@@H](C(=O)NC(C)C)N(Cc2c[nH]cn2)C1 96164425 QHVPJAIEAFNFFV-HIFRSBDPSA-N 367.519 1.137 0 50 FDAA O=C1C[C@@H](C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)c2cc(F)ccc2N1 91645174 PIKXHVPHOJIBNJ-CQSZACIVSA-N 370.384 1.564 0 50 FDAA NS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(CC3CCCC3)CC2)c1 97711721 VOOLKWRVUPHZOS-UHFFFAOYSA-N 369.462 1.421 0 50 FDAA Cc1cc(C)n2nc(C(=O)N3CCN(CC4CC4)[C@@H](CCO)C3)cc2n1 244633550 GEVKWRAPZBYPNS-INIZCTEOSA-N 357.458 1.265 0 50 FDAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)C2C(C)(C)C2(C)C)C1 244718813 LRGDMMRGSFTFQW-TXEJJXNPSA-N 350.463 1.461 0 50 FDAA C[C@H](c1ccccc1)N1C[C@H](C(=O)N(CC(=O)O)C2CCOCC2)CC1=O 299752924 WABJJORVBFRFIU-GDBMZVCRSA-N 374.437 1.688 0 50 FDAA CC(C)[C@H](NC(=O)N1CCC2(CC1)CN(C)C(=O)O2)c1ncnn1C 534663455 UERDNCHAYUCFHB-LBPRGKRZSA-N 350.423 1.138 0 50 FDAA CCn1cc(CN(C)C(=O)c2cccc(-c3nc(OC)n(C)n3)c2)cn1 299775891 LOSHQWWJMVIJID-UHFFFAOYSA-N 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356.444 1.099 0 50 FDAA COc1ccc(S(=O)(=O)N(C)Cc2cccc(C)n2)cc1CC(=O)O 414344266 KJKBPWGXKFONKF-UHFFFAOYSA-N 364.423 1.846 0 50 FDAA CCCc1cc(=O)[nH]c(SCC(=O)NCc2ccc3c(c2)OCO3)n1 10077360 CRBKTGGYWJAAEX-UHFFFAOYSA-N 361.423 1.860 0 50 FDAA CN1CCC[C@@](O)(CN2CCC(c3nc(-c4ccccc4)no3)CC2)C1=O 67432775 OKBUBDFZANKBRK-HXUWFJFHSA-N 370.453 1.899 0 50 FDAA CCn1c([C@H]2CCCN(C(=O)c3coc4c3C(=O)CCC4)C2)nn(C)c1=O 67919903 FUKDRMAFFMYGRT-LBPRGKRZSA-N 372.425 1.734 0 50 FDAA CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(N3CCNC(=O)C3)nc2)C1 67805302 IAFGUOFVRQUMNE-MRXNPFEDSA-N 372.469 1.485 0 50 FDAA COc1cccc(C(=O)N2CCN(c3cc(-n4ccnc4)ncn3)CC2)c1 67604700 DUFMDJFWORRYQN-UHFFFAOYSA-N 364.409 1.633 0 50 FDAA CN1CCN(C(=O)c2ccccc2-c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 77302754 JZUZQPHOVBRHDW-MOPGFXCFSA-N 370.474 1.907 0 50 FDAA Nc1ncccc1CN1C[C@@H](C(=O)O)C[C@H](C(=O)Nc2ccc(F)cc2)C1 71751914 GTZGWIWSGBZNAY-KBPBESRZSA-N 372.400 1.964 0 50 FDAA COc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@H](c2ccn[nH]2)C1 120415898 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CC(C)CCC(=O)N1CCC(c2nnc(CN3CCOCC3)n2C)CC1 77387889 KHGFXWWEDUVRPX-UHFFFAOYSA-N 363.506 1.790 0 50 FDAA O=C(c1cncc(Cl)c1)N1CCc2c(ncnc2N2CCOCC2)C1 71762744 VSVKEOFNBUXYIH-UHFFFAOYSA-N 359.817 1.560 0 50 FDAA O=C(CN1CCC[C@H]1c1nc(-c2ccccn2)no1)NCc1ccccn1 77453294 SAYIZNLKMKRZCF-INIZCTEOSA-N 364.409 1.980 0 50 FDAA CN(C)c1nsc(N2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)n1 219705160 SAPLQKCHKGGLRL-AWEZNQCLSA-N 374.474 1.026 0 50 FDAA NCCCNC(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71721690 RPBDHASGLNEQJD-SFHVURJKSA-N 359.518 1.223 0 50 FDAA Cn1nc(CC(=O)N2CCS(=O)(=O)C[C@@H]2C2CCC2)c2ccccc21 333756295 OIQGPCQXMQYQIJ-QGZVFWFLSA-N 361.467 1.542 0 50 FDAA Cc1nc(=O)c(CC(=O)N2CCC([C@@H](O)c3ccccn3)CC2)c(C)[nH]1 215507149 XBUFCZHCCKBIFU-GOSISDBHSA-N 356.426 1.296 0 50 FDAA O=C(NC1CC1)[C@H]1CNCCN1C(=O)C(c1ccccc1)c1ccccc1 72164877 NEZCAOORHSGSEA-LJQANCHMSA-N 363.461 1.898 0 50 FDAA Nc1cc(N2CCC3(CC2)CC(=O)N(Cc2ccccc2)C3)nc(N)n1 77341643 IQWMKNQSUKSNJQ-UHFFFAOYSA-N 352.442 1.660 0 50 FDAA CC(=O)c1c(C)nn(CC(=O)N[C@@H](c2cnn(C)c2)C2CC(O)C2)c1C 219602139 KOHZJRMBEKVXIP-LEHRNKBSSA-N 359.430 1.064 0 50 FDAA COc1ccc(N2CCN(CC(=O)NCc3ccccn3)[C@@H](C)C2=O)cc1 77453344 YFMQQALIEVLRPS-HNNXBMFYSA-N 368.437 1.444 0 50 FDAA CCOCc1nc2c(c(NCc3noc(C4CCC4)n3)n1)CCNCC2 72463140 IZCONWPTTHGUHJ-UHFFFAOYSA-N 358.446 1.964 0 50 FDAA O=C(C1CCC(Cn2cnnn2)CC1)N1CCN(c2ccccn2)CC1 40285720 DQRABVSJVLOARW-UHFFFAOYSA-N 355.446 1.223 0 50 FDAA Cc1ccc(C(=O)NCCC(=O)N2CCN(c3ccccc3)C(=O)C2)cc1 82108478 DDHFAZKDPHVERG-UHFFFAOYSA-N 365.433 1.990 0 50 FDAA O=C(O)CO[C@H]1CCOC[C@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1 220239697 ZBRJILIFGOXMOA-OLZOCXBDSA-N 362.209 1.911 0 50 FDAA Cc1c(F)cccc1CN1CCCn2nc(CNS(C)(=O)=O)cc2C1 82158009 VTJZLVVOQNPHFA-UHFFFAOYSA-N 366.462 1.786 0 50 FDAA CCCNc1ncc(CN2CCn3nc(CNC(=O)N(C)C)cc3C2)cn1 82115612 ZXPIGUWXJFGDRN-UHFFFAOYSA-N 372.477 1.282 0 50 FDAA C[C@H]1Cc2cc(C(=O)N3CCC(n4cc(CCO)nn4)CC3)ccc2O1 48371772 QRFDGLXHNYXWHV-ZDUSSCGKSA-N 356.426 1.614 0 50 FDAA Cc1nc2ccccn2c1CN(C)C(=O)NCCSc1nnnn1C 426440264 IXPAKSCOJNWXHD-UHFFFAOYSA-N 360.447 1.100 0 50 FDAA O=C1CC[C@]2(CCCN(C(=O)c3ncc[nH]3)C2)CN1CCc1ccccn1 91691618 AJXANFUSRIILPT-HXUWFJFHSA-N 367.453 1.892 0 50 FDAA Cn1nc(CO)c2c1CCN(C(=O)c1cnc(Nc3ccccc3)nc1)C2 91655846 YWPFDQSWYUSJQH-UHFFFAOYSA-N 364.409 1.645 0 50 FDAA O=C1C[C@@H](C(=O)NC2CCN(c3cnccn3)CC2)c2cc(F)ccc2N1 91859199 ROYKZEACYCOOQV-OAHLLOKOSA-N 369.400 1.827 0 50 FDAA NC[C@H]1CCC[C@H]1NS(=O)(=O)c1c(F)cccc1Br 237847877 SDAXXQSOSYJLQJ-LDYMZIIASA-N 351.241 1.994 0 50 FDAA O=C(NC[C@H]1CCCNC1)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O 91713665 ZOOYQECABIFBOK-JHMRYYBSSA-N 370.497 1.967 0 50 FDAA CCOc1ccc(CN2C[C@@H]3CC[C@H](C2)N(CC(=O)N(C)C)C3=O)cc1 91304898 ZXMNGHJEJOORRG-DLBZAZTESA-N 359.470 1.596 0 50 FDAA O=C(NC[C@@H]1CCCS(=O)(=O)C1)c1ccc(OC(F)F)c(F)c1 293878213 CYOYMCCSQGPANM-VIFPVBQESA-N 351.346 1.982 0 50 FDAA CCCc1nc(C)c(CNC(=O)[C@H]2CCCN(C(=O)COC)C2)s1 95379084 GCKYIPSCLPDZHA-ZDUSSCGKSA-N 353.488 1.905 0 50 FDAA CC(C)(C(=O)O)c1cnc(NCc2cccnc2)nc1N1CCOCC1 96141930 YDVPIMRETFKBRU-UHFFFAOYSA-N 357.414 1.683 0 50 FDAA CC(C)c1nc(C(=O)N2CC[C@@]3(CCCN(CCO)C3=O)C2)cs1 91460571 BDRNRSCCBWVPEZ-KRWDZBQOSA-N 351.472 1.714 0 50 FDAA Cn1cnnc1CCC(=O)N1CC[C@@]2(CCCN(C3CCCC3)C2=O)C1 91997913 BXLWPNLJFKBDCH-IBGZPJMESA-N 359.474 1.531 0 50 FDAA O=C(CN1CCN(c2ncccn2)CC1)NCc1ccc2c(c1)CCCO2 95390067 UQWNRIGGYUFYRF-UHFFFAOYSA-N 367.453 1.240 0 50 FDAA O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)N[C@H]1CCSC1 96150108 JVTBHRIZPYVNQJ-AWEZNQCLSA-N 365.455 1.551 0 50 FDAA CC(C)c1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)cc1 95371184 BIEDPKFSGISPEQ-WOJBJXKFSA-N 359.514 1.738 0 50 FDAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cnc(-c2ccccn2)nc1O 91593467 VCVXUTGEHKCXAS-OAHLLOKOSA-N 369.425 1.717 0 50 FDAA Cc1cc(C)n2nc(C(=O)N3CCO[C@H](Cc4ccccc4)C3)nc2n1 181208719 JFJISVNAHVLTPT-MRXNPFEDSA-N 351.410 1.825 0 50 FDAA O=C(NCc1nc2ccccc2c(=O)[nH]1)[C@H](c1cccnc1)N1CCCC1 95376185 MJYXQYRVVRGYTC-SFHVURJKSA-N 363.421 1.771 0 50 FDAA Cc1cc(-c2nc(C)nn2[C@H]2CCS(=O)(=O)C2)c2c(C)nn(C)c2n1 96165269 NATIWHKESKPPDY-LBPRGKRZSA-N 360.443 1.512 0 50 FDAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Cc1ccc(N(C)C)cc1)C2 91325909 WAKFFOZOKYFXOO-FUHWJXTLSA-N 359.470 1.391 0 50 FDAA O=S(=O)(N1CCCC1)N1C[C@H]2CC[C@@H]1CN(Cc1cccnc1)C2 91504262 NHZJPHNKYABUEP-DLBZAZTESA-N 350.488 1.318 0 50 FDAA CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F 526061587 JKDGKIBAOAFRPJ-ZBINZKHDSA-N 361.373 1.584 0 50 FDAA in-vitro CN(CCO)c1ccc(C(=O)N[C@H]2CCCN(Cc3cccnc3)C2)cc1 244778745 PVUWXHVCWXXTTH-IBGZPJMESA-N 368.481 1.905 0 50 FDAA O=C(O)COc1ccc(CCNC(=O)c2ncoc2[C@H]2CCCO2)cc1 299747484 DDGRCTIHAIWBHD-CQSZACIVSA-N 360.366 1.962 0 50 FDAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C(Br)[C@H]2[C@@H]2C=C[C@H]21 254385361 XALUWEUIIIWAGQ-MHDGFBEUSA-N 358.195 1.991 0 50 FDAA COC(=O)c1cn([C@@H](Cc2ccccc2)C(=O)OC)cc2c(=O)[nH]nc1-2 263587736 KRLVMHKXPPECTB-AWEZNQCLSA-N 355.350 1.420 0 50 FDAA CCOC(=O)c1ccc(NC(=O)COc2c(C)n(CCO)ccc2=O)cc1 263586558 VRZTVZZHUQFTCW-UHFFFAOYSA-N 374.393 1.343 0 50 FDAA biogenic O=C(NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2)N1CCSCC1 534652423 VHBPVMFLEHCDDR-UHFFFAOYSA-N 363.487 1.284 0 50 FDAA CN(C)CCNC(=O)c1cccc(-c2ncc(F)c(N3CCOCC3)n2)c1 534582862 CGXWELZEPZLIEE-UHFFFAOYSA-N 373.432 1.411 0 50 FDAA O=C1C[C@@H](NC(=O)C2(Cn3cccn3)CC2)CN1Cc1cccc(F)c1 72144933 XNXDKTPVTQWXCQ-MRXNPFEDSA-N 356.401 1.720 0 50 FDAA COCC(=O)N1CCCN(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CC1 299761340 JQWVGXFNPREGPH-UHFFFAOYSA-N 373.409 1.814 0 50 FDAA Cc1ccccc1-c1noc([C@@H](C)NC(=O)CN(C)C2CCNCC2)n1 299791159 DETLHOSYSGHDPL-CQSZACIVSA-N 357.458 1.906 0 50 FDAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)CN1 299795318 LZRKTTBQYJKFKF-SJORKVTESA-N 356.426 1.182 0 50 FDAA CC(=O)NCCNC(=O)c1cccc(-c2nc(C)c(C)cc2C(N)=O)c1 584885477 GNKNVSPHJIWFSW-UHFFFAOYSA-N 354.410 1.330 0 50 FDAA Nc1nnc(CCNC(=O)N2CCN(C/C=C/c3ccccc3)CC2)s1 584901876 YHNPRRARFRQROO-QPJJXVBHSA-N 372.498 1.703 0 50 FDAA CC[C@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C)[C@@H](O)C(F)(F)F 270810876 LULGTAGQBFJNCE-WDEREUQCSA-N 366.365 1.257 0 50 FDAA Cc1cc(N2CCC[C@H](N(C)S(C)(=O)=O)C2)nc(N(C)C(C)C)n1 1875273661 YJGIHBOAPKVGBQ-AWEZNQCLSA-N 355.508 1.490 0 50 FDAA O=C(c1cc2n(n1)CCOC2)N1CCC(c2nnc3n2CCCC3)CC1 1875266631 XYLZQVMRYZHTCP-UHFFFAOYSA-N 356.430 1.361 0 50 FDAA C[C@H](CCNC(=O)c1cnnn1C)NC(=O)c1ccc2c(c1)CCCC2 1875303388 SHGHQAKHSNZJPN-CYBMUJFWSA-N 355.442 1.632 0 50 FDAA O=C(CCn1ccnc1)NCC1CN(C(=O)c2ccc3c[nH]nc3c2)C1 1875336982 MONBWRWIGUOOBY-UHFFFAOYSA-N 352.398 1.038 0 50 FDAA O=C(CCc1nc2cccc(F)c2[nH]1)N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O 1875402111 BUVCOHYLHZGXKI-DAXOMENPSA-N 371.416 1.787 0 50 FDAA O=C(CCN1CCCc2ccccc21)N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O 1875400737 JUXJUBPFNRHCOR-YVWKXTFCSA-N 368.481 1.982 0 50 FDAA CCn1nncc1C(=O)N[C@H]1CC[C@H]2C[C@H]1CN2C(=O)C[C@@H]1CC1(C)C 1875407722 GOZKVXBUMYKJFO-XGUBFFRZSA-N 359.474 1.844 0 50 FDAA CCN1CCC[C@H]1C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1 952980561 HKPITUOYEHTKNO-AWEZNQCLSA-N 359.879 1.219 0 50 FDAA CC(=O)N1C[C@H](NC(=O)c2ccc3nncn3c2)CC[C@H]1C(F)(F)F 886035407 WCDRNJHPERDMIA-NEPJUHHUSA-N 355.320 1.401 0 50 FDAA CCN1C(=O)CC[C@H](CNC(=O)c2ccnc(C)c2)[C@H]1c1cnn(C)c1 888102855 QVYACCLQVIOOGJ-QAPCUYQASA-N 355.442 1.853 0 50 FDAA CCC[C@H]1CN(C(=O)c2n[nH]c3ccccc23)C[C@@H]1NS(C)(=O)=O 1565529750 DZNIRRRTUXSAHR-FZMZJTMJSA-N 350.444 1.353 0 50 FDAA NC(=O)c1ccc(O[C@H]2CCOC[C@@H]2NC(=O)Cc2ccccn2)cc1 1565509923 IKHILBVGDZPYEE-IRXDYDNUSA-N 355.394 1.076 0 50 FDAA CCc1noc(C)c1C(=O)N[C@H]1CCOC[C@@H]1Oc1ccc(C(N)=O)cc1 1565508189 GAWJJURWTQKBTA-HOTGVXAUSA-N 373.409 1.611 0 50 FDAA O=C(C1CCC1)N1CCN(Cc2cccc(O)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1565508997 RBMUYAWEZDMOAG-SJORKVTESA-N 364.467 1.002 0 50 FDAA CCOC(=O)c1cnn2cc(CN3C[C@H](C(C)C)[C@@H](N(C)C)C3)cnc12 1565527570 USAKEWADKOGJRR-SJORKVTESA-N 359.474 1.924 0 50 FDAA O=C(N[C@H]1COCC[C@@H]1OCc1ccccn1)c1ccc2nccn2c1 1565506562 RKYSWWGOOSAILB-IRXDYDNUSA-N 352.394 1.833 0 50 FDAA c1nc2nc(N3CC[C@]4(CCOC4)C3)cc(N3CC[C@]4(CCOC4)C3)n2n1 170603449 LPYSLZXQRGLART-OALUTQOASA-N 370.457 1.358 0 50 FDAA Cc1nc(CN(C)C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)no1 1529152089 OUVJRGNOWUCEAV-CABCVRRESA-N 364.789 1.246 0 50 FDAA CC(C)Cc1ccc(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1 1704300078 VMRDEFZUOVHJLH-IRXDYDNUSA-N 368.499 1.521 0 50 FDAA O=C(COc1ccc(CN2CCC([C@H](O)CO)CC2)cc1)N1CCCC1 1772710669 ZESQHLMJNHWPOE-LJQANCHMSA-N 362.470 1.253 0 50 FDAA CN1CC[C@@](C)(C(=O)N2CCCN(Cc3ccc(N(C)C)nc3)CC2)C1 1775979942 PYHFIVXYXYBTNH-HXUWFJFHSA-N 359.518 1.524 0 50 FDAA Cc1nnc(CNC(=O)[C@H]2CCc3sc(N4CCOCC4)nc3C2)o1 1772803979 BRAANGUTDFLFLW-NSHDSACASA-N 363.443 1.092 0 50 FDAA O=C([C@@H]1CCc2sc(N3CCOCC3)nc2C1)N1C[C@H]2COC[C@H]2C1 1772818751 KLGXNCJDMMHFKE-MCIONIFRSA-N 363.483 1.189 0 50 FDAA COc1cc(CNCCNC(C)=O)ccc1OC[C@H](O)CN(C)C(C)C 11838275 DBLAHXGESDMTGH-QGZVFWFLSA-N 367.490 1.001 0 50 FDAA O=C(Cn1nnnc1CN1CCCCCC1)N1CCc2ccccc2C1 12026241 ZHGULTDSDNGDOI-UHFFFAOYSA-N 354.458 1.634 0 50 FDAA Cc1nc2ncccn2c1C(=O)N[C@@H]1CCCc2nc(N(C)C)ncc21 12433887 LFVOVFWXHOABRK-CYBMUJFWSA-N 351.414 1.701 0 50 FDAA COc1ccc(CCN2C[C@H](NC(=O)C(=O)c3ccccc3)CC2=O)cc1 19299730 PGUIEYKKWIXRIC-QGZVFWFLSA-N 366.417 1.838 0 50 FDAA CCn1c(CN2CCN(c3cnn(C)c(=O)c3)CC2)nc2ccccc21 19866666 FKKSMJGCOFEXKU-UHFFFAOYSA-N 352.442 1.472 0 50 FDAA Cc1cc(OCC(=O)NCCN2CCOCC2)cc(C)c1Br 19920479 YKJYLWCGBOZLLO-UHFFFAOYSA-N 371.275 1.893 0 50 FDAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)CCc3ccc(F)c(F)c3)C[C@@H]12 1857668110 HCFKKTNRUOQJNA-MAZHCROVSA-N 372.437 1.083 0 50 FDAA CNC(=O)Cc1nc(-c2cc(C)ncc2OC)n(-c2ccccc2OC)n1 1857677178 RFXODTYXLUCXJF-UHFFFAOYSA-N 367.409 1.943 0 50 FDAA COc1ccc(C(=O)N2CCO[C@]3(CCN(c4ccncc4F)C3)C2)cn1 1857713812 OXRNJJLACXMLJI-IBGZPJMESA-N 372.400 1.746 0 50 FDAA CC(C)[C@H]1CN2C[C@@H](NC(=O)c3nc4ccccc4nc3O)C[C@H]2CO1 1857717981 JDNIFNQXPTUBJE-HEHGZKQESA-N 356.426 1.563 0 50 FDAA Cc1cc(N)n(CC(=O)N2CCC3(CC2)C[C@H](O)C[C@H](C(C)(C)C)O3)n1 1857736505 ROSUHSUPJGTEMK-HUUCEWRRSA-N 364.490 1.721 0 50 FDAA O=C(O)[C@H]1CN(Cc2cnc(N3CCOCC3)nc2)C[C@@H]1c1cccnc1 216925850 RXSKDNHHCSRRNV-SJORKVTESA-N 369.425 1.008 0 50 FDAA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@@H]1CN(C)CCO1 328603339 FSEJGMDPBLQTBG-KKUMJFAQSA-N 370.494 1.153 0 50 FDAA C[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(Cl)c2)C[C@@H](C)O1 12883071 XWQVDFNFNSKQER-TUAOUCFPSA-N 360.863 1.643 0 50 FDAA CN(C)S(=O)(=O)c1ccc(CC(=O)N2CC[C@@]3(CCCOC3)C2)cc1 375338902 UIJCFRXQLVDOGW-SFHVURJKSA-N 366.483 1.509 0 50 FDAA COc1ccccc1N1CC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 163700961 MUZUTBRLZCJDTK-KGLIPLIRSA-N 369.425 1.166 0 50 FDAA CC(=O)c1c(C)nn(CC(=O)Nc2csc3nc(=O)c(C)nn23)c1C 2100537757 UHGZBEKXZUTYCM-UHFFFAOYSA-N 360.399 1.114 0 50 FDAA C[C@H]1CCS[C@@H]1C(=O)N[C@@H]1CCOC[C@@H]1Nc1cc(N(C)C)ncn1 2325770121 FLASAIGBLFAPDI-ZWUHOBOKSA-N 365.503 1.370 0 50 FDAA Cn1ccc([C@@H](NC(=O)[C@@H]2C[C@@H]3[C@H](C(=O)O)[C@@H]3CO2)c2ccccc2)n1 2325799123 WGPZJLTYIZSVTG-KUHBDSFDSA-N 355.394 1.361 0 50 FDAA COc1ccc2c(c1C(=O)N1CCC[C@H]1Cn1cc(C(=O)O)nn1)CCC2 2325808225 GSHONEITYKGUIH-ZDUSSCGKSA-N 370.409 1.778 0 50 FDAA CNC(=O)c1ccc(O)c(NS(=O)(=O)c2ccc(OC(C)C)nc2)c1 2325823710 BITSGALBLQVLND-UHFFFAOYSA-N 365.411 1.735 0 50 FDAA O=C(CN1CCCCS1(=O)=O)NCC(F)(F)c1ccc(Cl)cc1 879961969 KLETUXDRPZQLEI-UHFFFAOYSA-N 366.817 1.974 0 50 FDAA CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1 1069340 MBMARFJPZGVBLD-OAHLLOKOSA-N 351.428 1.077 0 50 FDAA COc1ccc(-c2cnc3c(N4CC[C@@H](O)C4)nccn23)c(OC)c1OC 2356155851 OZSPFTVBEKHJLH-GFCCVEGCSA-N 370.409 1.993 0 50 FDAA CNC(=O)c1cc(S(=O)(=O)Nc2cc(C(=O)O)ccc2C)cs1 6681576 DBIZBPFVLIFKKD-UHFFFAOYSA-N 354.409 1.915 0 50 FDAA C[C@H](NCCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(=O)[nH]n1 225632854 YORNHEBTBZMOHH-HNNXBMFYSA-N 355.442 1.159 0 50 FDAA COc1ccc(CCN2C(=O)O[C@@H]3CN(Cc4cnn(C)c4)C[C@@H]32)cc1 20906132 FGYJYLNSZQZWSX-ZWKOTPCHSA-N 356.426 1.676 0 50 FDAA CCn1c(C2CCNCC2)nn(Cc2ccccc2-n2cccn2)c1=O 65380452 FXGMJJCRCOQIIK-UHFFFAOYSA-N 352.442 1.766 0 50 FDAA CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(N3CCNCC3)nc2)C1 67642320 VCEKRQXQYMZBIH-QGZVFWFLSA-N 358.486 1.959 0 50 FDAA O=C(NCc1nnc2n1CCN(Cc1ccsc1)CC2)[C@@H]1CCOC1 20135681 IQTALGXXULHUKX-CQSZACIVSA-N 361.471 1.051 0 50 FDAA CCCOc1ccc(C(=O)N2CCN3CCNC(=O)[C@@H]3C2)cc1Cl 65372057 YDIFNEJPCQUVDC-AWEZNQCLSA-N 351.834 1.385 0 50 FDAA COc1nc2c(cc1C(=O)N1CCCn3nc(C(=O)O)cc3C1)CCC2 65429636 AQFDUSOFMHQSCH-UHFFFAOYSA-N 356.382 1.520 0 50 FDAA CCc1nc(CN2CCN(C(=O)C[C@@H](C)n3nc(C)cc3C)CC2)no1 331612471 FPKSHNIQCOECCC-OAHLLOKOSA-N 360.462 1.741 0 50 FDAA CN(C)CC(=O)Nc1ccc(NC(=O)c2cnn(C(C)(C)C)c2N)cc1 424717680 WRXCOPYLAUYRTA-UHFFFAOYSA-N 358.446 1.973 0 50 FDAA CC(C)CN1CCNC(=O)[C@@H]1CC(=O)N1CCC(c2ccncc2)CC1 11821731 LHALLSGNTZFPJC-SFHVURJKSA-N 358.486 1.634 0 50 FDAA Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)COc2ccccc2Cl)cn1 862926814 BENJEESFQGMQPH-DZGCQCFKSA-N 351.790 1.415 0 50 FDAA CN(C)S(=O)(=O)c1cc(C(=O)N2CCC(c3cnc[nH]3)CC2)n(C)c1 331900519 IWHFEBULYKAWSI-UHFFFAOYSA-N 365.459 1.018 0 50 FDAA CCOc1ccc(C(F)(F)F)cc1NC(=O)NCCNS(C)(=O)=O 67584328 MLDBHOUWVLNVEU-UHFFFAOYSA-N 369.365 1.775 0 50 FDAA COC(=O)[C@](NS(C)(=O)=O)(c1c(C)[nH]c2ccccc12)C(F)(F)F 2503967 JBFYMWYBTGZATO-CYBMUJFWSA-N 364.345 1.956 0 50 FDAA CCn1cc(S(=O)(=O)Nc2ncn(Cc3ccccc3F)n2)cn1 2804244 AXSYRWUDGPWBIW-UHFFFAOYSA-N 350.379 1.483 0 50 FDAA Cc1c(C(=O)N2CC[C@H](N3CCOCC3)C2)cnn1Cc1ccccc1 172756812 ZITZPSJFCCGFEX-SFHVURJKSA-N 354.454 1.787 0 50 FDAA CN1CCOc2cc(C(=O)N3CCOC[C@H]3CC(=O)NC3CCC3)ccc21 72479523 GVJRHYGPNMXTBR-MRXNPFEDSA-N 373.453 1.415 0 50 FDAA O=C(NC1(c2ncon2)CCOCC1)c1ccncc1Br 329607592 CJWZMEFSWWALBH-UHFFFAOYSA-N 353.176 1.663 0 50 FDAA O=C(NC1CCN(C(=O)N2CCOCC2)CC1)c1ccc2c(c1)OCO2 215971109 RUUXUKLVEDOKIN-UHFFFAOYSA-N 361.398 1.062 0 50 FDAA O=C([C@H]1CCCN1Cc1ccccc1)N1CCC[C@H](N2CCNC2=O)C1 363438037 BHFGLSLPRYHTPY-ZWKOTPCHSA-N 356.470 1.667 0 50 FDAA CN1CCC[C@@H](C(=O)N2CCc3c(nc(-c4cccnc4)[nH]c3=O)C2)C1 72167911 AEKKSXTVWWIMGK-CQSZACIVSA-N 353.426 1.058 0 50 FDAA Nc1nnc(SCC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)s1 214981916 ZUKWLEHNCBQHPG-JTQLQIEISA-N 365.488 1.035 0 50 FDAA CO[C@@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C[C@H]1O 456419640 MSLGDSHXCQENOR-ZIAGYGMSSA-N 366.215 1.671 0 50 FDAA C[C@@H](N1CCN(C(=O)NC[C@H]2CCCS(=O)(=O)C2)CC1)C(F)(F)F 332874622 JOCMZRGIBBKVJF-VXGBXAGGSA-N 371.425 1.089 0 50 FDAA COc1cccc(-c2cc(C(=O)N3CCC[C@@H](c4nc(=O)[nH][nH]4)C3)[nH]n2)c1 282941898 PSNFSLRTAHLJOW-GFCCVEGCSA-N 368.397 1.517 0 50 FDAA COc1cccc(C(=O)N2CCN(c3ncnc4onc(C)c34)CC2)c1 77523649 VIIKENJASSZQOT-UHFFFAOYSA-N 353.382 1.897 0 50 FDAA Cc1ncc(C(=O)N2CCC[C@@]3(CCC(=O)N(C4CCCC4)C3)C2)c(=O)[nH]1 77353706 XDKOOGNKVYSWGO-HXUWFJFHSA-N 372.469 1.866 0 50 FDAA NCCCN1C(=O)CC[C@H]2CN(c3nc(-c4ccccc4)no3)CC[C@H]21 72409090 KIPUOUOJGZZSGR-JKSUJKDBSA-N 355.442 1.903 0 50 FDAA CCN(CC)[C@@H]1CCN(C(=O)CCc2c(C)nc3c(c2C)c(=O)[nH]n3C)C1 173435314 LXMLSZCFBYJMMH-OAHLLOKOSA-N 373.501 1.754 0 50 FDAA CN(C)C(=O)C[C@H](O)c1cc2n(n1)CCN(C1CSCCSC1)C2 218784695 NUKNAURCEDCLFL-HNNXBMFYSA-N 370.544 1.059 0 50 FDAA Cc1ccnn1CCC(=O)N1CCC(c2nnc(CN(C)C)n2C)CC1 77503822 UDPOCOZZUGLAGJ-UHFFFAOYSA-N 359.478 1.178 0 50 FDAA CNC(=O)c1cncc(/C=C/C(=O)N2C[C@@H](C)OC3(CCOCC3)C2)c1 377071293 BMENKHZZIHGDIJ-RDFMZFSFSA-N 359.426 1.251 0 50 FDAA CCN1CCC[C@H]1CNc1ncnc2c1CCN(C(=O)c1cccnc1)C2 71749576 SCLMFGMPGXEABY-INIZCTEOSA-N 366.469 1.966 0 50 FDAA Cc1ccc(OCCN(C)C(=O)C[C@@H]2C(=O)NCCN2C2CCCC2)cc1 72151579 YAGXPABTOWGDPK-LJQANCHMSA-N 373.497 1.965 0 50 FDAA Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)CN1CCCCC1=O 219885932 JIKZLCBXPJNXCO-HZPDHXFCSA-N 365.430 1.094 0 50 FDAA CC(C)C[C@H](C(=O)N(C)Cc1cnn(C)c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 240551416 GTNHWHLLJKXUEF-BRWVUGGUSA-N 372.469 1.744 0 50 FDAA NC(=O)C[C@@H]1CCCN(C(=O)NCCc2csc(N3CCCC3)n2)C1 175566678 SQYCJEQNSKPQBE-ZDUSSCGKSA-N 365.503 1.583 0 50 FDAA COc1ccc(CCC(=O)N2CCCn3nc([C@@H](O)CO)cc3C2)cc1 221229579 IVTUWYCYIODVQN-SFHVURJKSA-N 359.426 1.283 0 50 FDAA CC(=O)Nc1cccc(OCCNC(=O)N2C[C@@H](C)C[C@H](C(=O)O)C2)c1 263354886 QPSBIPJMJWGZCW-JSGCOSHPSA-N 363.414 1.776 0 50 FDAA CCc1nnsc1C(=O)N1CCC[C@H](N(CC(=O)O)C(C)=O)CC1 461487692 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534676094 FDERGYZNBQBZML-INIZCTEOSA-N 367.877 1.664 0 50 FDAA COCCn1nc2c(cc1=O)CN(C(=O)c1cccc(OC)c1OC)CC2 263617179 MNANTNDYARJNAB-UHFFFAOYSA-N 373.409 1.105 0 50 FDAA O=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1csc(-c2ncccn2)n1 1940195627 SOWFYXBTWKKUEZ-KGLIPLIRSA-N 367.434 1.983 0 50 FDAA O=C1NCCN(Cc2ccc(Cl)c(F)c2)[C@@H]1CC(=O)N1CCCO1 59436843 UBDIAYAPPHGJGF-CQSZACIVSA-N 355.797 1.334 0 50 FDAA O=C(O)c1n[nH]c2c1CN(C(=O)c1ccccc1N1CCOCC1)CC2 299798575 QRQHHOQXUXUDJE-UHFFFAOYSA-N 356.382 1.143 0 50 FDAA CC(C)Cn1cncc1CNC(=O)c1nccnc1C(=O)N1CCCCC1 299773649 DZVQMUFDKRDWIL-UHFFFAOYSA-N 370.457 1.885 0 50 FDAA CS(=O)(=O)Cc1noc(CN2CCC(O)(c3ccccc3)CC2)n1 185493033 CFVBDOCWCDUMQQ-UHFFFAOYSA-N 351.428 1.098 0 50 FDAA C[C@@H]1CC(S(=O)(=O)NS(=O)(=O)CCCn2cccn2)C[C@@H](C)C1 1875335424 IGBAGZLQVZDSBU-STQMWFEESA-N 363.505 1.347 0 50 FDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](N[C@@H]3CCOCC3(C)C)C2)n1 1875301109 FESSPBLYWZWSGE-HUUCEWRRSA-N 361.490 1.436 0 50 FDAA NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC3(CC3)C2)N1Cc1ccccc1 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COc1cccc([C@@H](C)CC(=O)N2CCO[C@@H](CN(C)CC(=O)O)C2)c1 275689440 MSLRBLYSHMOMSN-YOEHRIQHSA-N 364.442 1.433 0 50 FDAA CCc1ccccc1CNC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 170610317 NEFQYANWVWWZCE-IBGZPJMESA-N 373.453 1.481 0 50 FDAA CCC(=O)N1CC[C@H](C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)C1 279799100 YRNUGWHQNUMVRN-GBESFXJTSA-N 355.482 1.835 0 50 FDAA CN(Cc1ccccc1)C(=O)CNC(=O)N1CCC[C@@H]1c1cnn(C)c1 171461735 NSHAZDLNKDELPY-QGZVFWFLSA-N 355.442 1.925 0 50 FDAA Cc1nc(CN2CCC(CNC(=O)N3CCO[C@@H](C)C3)CC2)oc1C 171858962 DVLPMQXKPUPPHR-ZDUSSCGKSA-N 350.463 1.934 0 50 FDAA CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(Cc1ccccc1OCC(=O)O)C2 1073365995 PUZMHNQVMBWBME-HOCLYGCPSA-N 361.442 1.728 0 50 FDAA CN(CCCNC(=O)[C@H]1OCC(=O)N[C@@H]1c1cccnc1)C1CCCC1 1529144187 RAAZXOWATQUOAM-MSOLQXFVSA-N 360.458 1.018 0 50 FDAA COc1ccc(C(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)c(OC)n1 1529187598 VXQKOYZDJLCHFE-NVXWUHKLSA-N 358.394 1.673 0 50 FDAA Nc1ccc(C(=O)N2C[C@H](c3ccc4c(c3)OCO4)[C@@H](C(=O)O)C2)cn1 216850667 WNFWJSGWBCYTLN-OLZOCXBDSA-N 355.350 1.333 0 50 FDAA CCc1nn(C)c(Cl)c1CN1CCCN(C(=O)c2cncn2C)CC1 1529150783 AQAFRYXPPHTFMS-UHFFFAOYSA-N 364.881 1.718 0 50 FDAA Cc1cnc(C(=O)N2CCCN(C(=O)c3ccc(Cl)cn3)CC2)cn1 1704336795 PFGMHOJCJZQJLD-UHFFFAOYSA-N 359.817 1.822 0 50 FDAA O=C(C1CCN(C2CCCCC2)CC1)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704335045 KEMPMICRUHHTRX-YLJYHZDGSA-N 372.513 1.883 0 50 FDAA CN(C)C(=O)N1CCC(C(=O)N2CCC[C@]3(CCc4c[nH]nc43)C2)CC1 1775983556 ZSBUOBQSWDBJLC-IBGZPJMESA-N 359.474 1.610 0 50 FDAA C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N(c1ccccc1)S(C)(=O)=O 5060731 LCYGMPONDQQDJP-CYBMUJFWSA-N 373.434 1.826 0 50 FDAA CCOC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 11859203 BBUYUNRMQOEVPD-WDMOLILDSA-N 364.295 1.952 0 50 FDAA O=C(NCCn1cccn1)c1cc(COc2ccc3c(c2)OCO3)[nH]n1 11933117 AIACYMZZBHLVFU-UHFFFAOYSA-N 355.354 1.344 0 50 FDAA C[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccc(Cl)cc3Cl)CN2C1=O 14733245 GZMMMCAUPGKQER-FDOIEUKUSA-N 371.224 1.603 0 50 FDAA CCOC(=O)c1cnn(-c2ccc3c(c2)OCCO3)c1CN1CCOCC1 14980198 MYHCUCWEYNGMJU-UHFFFAOYSA-N 373.409 1.652 0 50 FDAA CCN1CCN([C@H]2CC(=O)N(c3ccc(N4CCCCC4)cc3)C2=O)CC1 19881614 WRNNVWRHSIDTQR-IBGZPJMESA-N 370.497 1.946 0 50 FDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](Nc3ncc(F)cn3)C2)c1C 1857529744 QUPJJBBKVBBXGC-CYBMUJFWSA-N 359.409 1.415 0 50 FDAA Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(F)cn2)[C@H](C)C1 1857677154 QSMZTJMRXGUNPT-SNVBAGLBSA-N 354.407 1.725 0 50 FDAA NS(=O)(=O)c1ccc(Cn2ccnc2-c2cccc3ccnn23)cc1 1857737202 AWBRDBMXFBKASE-UHFFFAOYSA-N 353.407 1.894 0 50 FDAA CCN1C(=O)CC[C@H](C(=O)N(C)Cc2nccs2)[C@@H]1c1cnn(C)c1 331430348 JOWYYRCNUGDOGO-BBRMVZONSA-N 361.471 1.835 0 50 FDAA CN1C(=O)CCc2cc(C(=O)N3CCCC[C@H]3c3nc(O)n[nH]3)ccc21 333129369 ASTGHZYSBRCGSU-AWEZNQCLSA-N 355.398 1.787 0 50 FDAA CCn1nccc1CNC(=O)N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 852717055 YWOOTJGFQKNNIQ-AWEZNQCLSA-N 359.434 1.006 0 50 FDAA O=C(c1ccc(O)nc1)N1CCC[C@@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2100482863 DIINNZQOAUVXBR-JXXFODFXSA-N 373.453 1.688 0 50 FDAA COCCn1nnc([C@H]2CN(C(=O)c3cccc4ncsc34)CCO2)n1 2100555998 BFOHCQIZHRNMRP-CYBMUJFWSA-N 374.426 1.143 0 50 FDAA CN1CCN(C(=O)c2cnc(O)c3cncn23)[C@@H](Cc2ccccc2)C1 2325825964 JTNBDSFVPCDDFH-HNNXBMFYSA-N 351.410 1.434 0 50 FDAA Fc1cc(N2CCC[C@H](Nc3cc(N4CCOCC4)ncn3)C2)ccn1 2325900355 VANLDAJQVDLJBT-AWEZNQCLSA-N 358.421 1.928 0 50 FDAA O=C(C[C@]1(O)C(=O)Nc2ccccc21)C[C@]1(O)C(=O)Nc2ccccc21 975848 ROCVBZTWTGXHKR-RTBURBONSA-N 352.346 1.016 0 50 FDAA biogenic COc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 4476010 YNBZXRUMNLZKTN-KGLIPLIRSA-N 360.435 1.665 0 50 FDAA O=C(c1cccs1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 4487262 SFIHKLLPNAPEDR-UHFFFAOYSA-N 357.501 1.627 0 50 FDAA CC1=NNc2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2[C@@H]1C 8725081 DDLXZZZYXYABMF-SNVBAGLBSA-N 356.361 1.447 0 50 FDAA COc1cc(CCNC(=O)CSc2nnc(N)s2)cc(OC)c1 55386589 RJRUVVJLEQANKQ-UHFFFAOYSA-N 354.457 1.589 0 50 FDAA CN(Cc1nc(-c2cccnc2)no1)C(=O)c1cccc(S(C)(=O)=O)c1 114128801 LHGXGWHDKPVEMT-UHFFFAOYSA-N 372.406 1.807 0 50 FDAA C[C@H](Cc1c(F)cccc1F)NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 248201338 VYWRDAAIMSPADK-XRZWVALYSA-N 374.387 1.819 0 50 FDAA C[C@H](O)CNc1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1 67817114 WLRSPRAIMQBTQV-AWEZNQCLSA-N 360.458 1.349 0 50 FDAA Cn1ncnc1-c1ccnc(N2CCC(C(=O)NCc3ccco3)CC2)n1 23543413 UQBQOPSPYGELKF-UHFFFAOYSA-N 367.413 1.398 0 50 FDAA COc1cccc(CCCNC(=O)C2CCN(S(C)(=O)=O)CC2)c1 65364535 MUUUEMMVVXQGEI-UHFFFAOYSA-N 354.472 1.416 0 50 FDAA O=C(NCCc1cccc(O)c1)C(=O)Nc1ccccc1O[C@@H]1CCOC1 470648270 IVZJTMFVEQPMRB-MRXNPFEDSA-N 370.405 1.857 0 50 FDAA CN1CCCC[C@H]1CN1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1 119550377 BHRWNGKFXDWWJK-KRWDZBQOSA-N 355.486 1.734 0 50 FDAA COc1cccc(N([C@@H](C)C(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)c1 65362411 ODNURYYDQGOXQD-WFASDCNBSA-N 356.444 1.145 0 50 FDAA COCC1(C(=O)N2CCC[C@@H](c3nn(C)c(=O)n3-c3ccccc3)C2)CC1 67674894 RQIOKOBEOHLZCV-OAHLLOKOSA-N 370.453 1.704 0 50 FDAA CC[C@@H](C(=O)N1CCC(Cc2nn(C)c(=O)n2CC)CC1)n1cccn1 67820456 OTAWHZHFQVVGOG-HNNXBMFYSA-N 360.462 1.231 0 50 FDAA CNC(=O)C[C@H]1COCCN1C(=O)c1cccc(Cn2nc(C)cc2C)c1 72408535 XZYPQIXIUFKZHS-SFHVURJKSA-N 370.453 1.525 0 50 FDAA O=C(N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1)c1csnn1 12373372 AQIPIWSKCFLZMJ-LBPRGKRZSA-N 350.831 1.765 0 50 FDAA CC(=O)N1CCC[C@@H](CNC(=O)N2CCC[C@@](O)(C(F)(F)F)CC2)C1 332390664 WWZGKBHKUZXAIJ-ZFWWWQNUSA-N 365.396 1.734 0 50 FDAA O=C(CN1CCCC[C@H]1CN1CCOCC1)N1CCOc2ccccc21 77319919 QQMNDWXUMPSJBQ-KRWDZBQOSA-N 359.470 1.599 0 50 FDAA CNc1cc(C)nc(N2CCC[C@@H](c3nnc(CN4CCCC4)n3C)C2)n1 72467888 WDBGVXNZDAPHPX-OAHLLOKOSA-N 370.505 1.935 0 50 FDAA O=C(N[C@@H]1CCN(C(=O)CCOc2ccccc2)C[C@H]1O)c1ccncc1 77407764 FETHTSMQJCIWQG-QZTJIDSGSA-N 369.421 1.242 0 50 FDAA O=C(CCOc1ccccc1)N1CCO[C@H](C(=O)N2CCSCC2)C1 72480293 TVXLRZKJYYIUID-INIZCTEOSA-N 364.467 1.258 0 50 FDAA Cc1cnn(C)c1S(=O)(=O)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1Cc1ccccc1 219401936 SZGOWILUPZOOQP-YVSFHVDLSA-N 361.467 1.653 0 50 FDAA C[C@H]1CCCN(Cc2nnn(-c3nonc3N)c2CN2CCC[C@@H](C)C2)C1 15024157 QFENPDYVIVLENT-UONOGXRCSA-N 374.493 1.696 0 50 FDAA COC(=O)C1CCN(C[C@H](O)COc2cccc(CN(C)C)c2)CC1 15074348 KOTRWJULFUEJIA-KRWDZBQOSA-N 350.459 1.373 0 50 FDAA Nc1nc2c(c(NC3CCCC3)n1)CCN(C(=O)Cn1cccc1)CC2 72477505 MIWHRWKZTMGWQA-UHFFFAOYSA-N 354.458 1.842 0 50 FDAA Cc1ccc(OCCn2ncc(N3CCO[C@H](CCN)C3)cc2=O)c(C)c1 72422505 SYIYHSUHQSNCBV-GOSISDBHSA-N 372.469 1.493 0 50 FDAA CC(C)CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1 71754857 ITGSNAJATMBDIO-UHFFFAOYSA-N 373.906 1.662 0 50 FDAA CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCSC2CCCC2)C1 72437401 MJPMWFSRSSGTEW-ZDUSSCGKSA-N 363.549 1.297 0 50 FDAA C=CC(=O)NCc1ccc(C(=O)N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)cc1 375681547 WLWHNXIGEIOQQF-CHWSQXEVSA-N 369.343 1.225 0 50 FDAA O=S(=O)(N[C@@H]1CCOC[C@H]1OCC1CC1)c1ccc2c(c1)OCCO2 218802875 GZGYRQMHNXYNBP-RHSMWYFYSA-N 369.439 1.320 0 50 FDAA C=CC(=O)N[C@H](O)C(Br)(Br)Br 71770025 RTRZAVKBYZHGPU-SCSAIBSYSA-N 351.820 1.446 0 50 FDAA CCn1cnnc1NC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 285943340 UZKQJEMLVMAJRL-MCIONIFRSA-N 359.430 1.602 0 50 FDAA CN(C)C[C@H](O)c1cc2n(n1)CCN(C(=O)c1ccc3c(c1)CCC3)C2 220748581 IZKJKATWQBGICM-IBGZPJMESA-N 354.454 1.623 0 50 FDAA COc1ccccc1N1CCN(C(=O)c2cc(C(C)C)nc(N)n2)CC1=O 82146810 PKCZYPYMHDCFGF-UHFFFAOYSA-N 369.425 1.680 0 50 FDAA C[C@@H](NS(C)(=O)=O)C(=O)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 221215818 MFWVKXYIDOMMSU-SNVBAGLBSA-N 368.434 1.346 0 50 FDAA Cc1ocnc1C(=O)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 97773223 QFTKGKFHOIACGK-RVSXGSNBSA-N 352.438 1.280 0 50 FDAA CO[C@@H]1CCCOC12CCN(C(=O)Cn1ncc3ccccc3c1=O)CC2 95371893 FOWZCZYXNNZIMC-QGZVFWFLSA-N 371.437 1.583 0 50 FDAA CN1CCN(Cc2cccc(Cn3cccn3)c2)C[C@]12CCNC(=O)CC2 95391237 KIQBIXBLOSXHTD-NRFANRHFSA-N 367.497 1.718 0 50 FDAA O=C(c1ccc(-c2ncnc3ccsc23)cc1)N1CC[C@](O)(CO)C1 426690196 AKXWGXPGCJDOEG-GOSISDBHSA-N 355.419 1.928 0 50 FDAA O=C(O)c1ccc([C@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)cc1 95379285 LVMDOTFDNGZZNY-HNNXBMFYSA-N 354.428 1.141 0 50 FDAA NS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCOc3ccccc3C2)c1 96140828 HQIYLHCZABETEB-ZDUSSCGKSA-N 360.435 1.705 0 50 FDAA O=C(CN1C[C@H](c2ccccc2)CC1=O)N1CCN(c2ncccn2)CC1 96148873 BOANOUSZMATORQ-QGZVFWFLSA-N 365.437 1.141 0 50 FDAA O=C(c1ccc(S(=O)(=O)NCC(F)F)cc1)N1CCC[C@@H](CO)C1 91829951 KCLBRIKLSNGFFL-LLVKDONJSA-N 362.398 1.075 0 50 FDAA CCC[C@@]1(CO)CCCN(c2cc(C(=O)N3CCN(C)CC3)ccn2)C1 91780008 FDGYLJCLKORMAG-HXUWFJFHSA-N 360.502 1.848 0 50 FDAA CCN(CC)C(=O)[C@H]1CCCN(C(=O)Cn2ccc3ncccc3c2=O)C1 95529279 ZCZFSAUVZIMFNX-HNNXBMFYSA-N 370.453 1.504 0 50 FDAA CN1CCN(c2cc(N3CCC[C@@H](CN4CCCCC4)C3)nc(N)n2)CC1 96136329 AIBUYZMULAEJHG-KRWDZBQOSA-N 373.549 1.513 0 50 FDAA CC(=O)N1CCC[C@@H](C(=O)N(CCCn2ccnc2)Cc2ccncc2)C1 95357000 YHEMIIPFDLAVDM-LJQANCHMSA-N 369.469 1.956 0 50 FDAA COC[C@H]1CCCN(S(=O)(=O)N2CCC(c3nccn3C)CC2)C1 91644061 LHZSXYYVJCNTSO-AWEZNQCLSA-N 356.492 1.203 0 50 FDAA CCn1nc(C)c(CCNC(=O)[C@H]2CCCN(C(=O)COC)C2)c1C 95368793 QTVFIUQTPLQTFX-HNNXBMFYSA-N 350.463 1.064 0 50 FDAA CN(Cc1cc(F)c(F)c(F)c1)C(=O)CCc1nc(-c2nnc[nH]2)no1 181414443 UHEKVPWDRUKJEG-UHFFFAOYSA-N 366.303 1.863 0 50 FDAA CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1 95392100 KKWDSNTVDYWVKM-CQSZACIVSA-N 356.474 1.676 0 50 FDAA CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc3nn[nH]c3c2)cc1 91657403 YABDVISJUBQTNB-UHFFFAOYSA-N 359.411 1.897 0 50 FDAA Cc1nc(N(C)C)ncc1C(=O)N[C@H](C)c1nc(-c2ccccn2)no1 95362046 PNCCHMFEFVJNMY-LLVKDONJSA-N 353.386 1.787 0 50 FDAA CCCc1nc(C)cc(N[C@@H]2CCN(C(=O)c3ccccn3)C[C@H]2O)n1 244716306 LMTDOQBPRLEWNC-GDBMZVCRSA-N 355.442 1.820 0 50 FDAA O=C(c1nc2ccccn2c1CN1CCN2CCC[C@H]2C1)N1CCOCC1 244748645 OLQORZBXBFQHHR-INIZCTEOSA-N 369.469 1.087 0 50 FDAA CCc1nn2c(=O)cc(CN3CC[C@@H](n4nc(C)cc4C)C3)nc2s1 244773798 PGVLYOUQGCTYLY-CQSZACIVSA-N 358.471 1.974 0 50 FDAA COCCN1Cc2cc(C(=O)NCCCn3cccn3)ccc2OCC1=O 263615883 FSBABJHRZFQHOF-UHFFFAOYSA-N 372.425 1.071 0 50 FDAA CCNc1ccc(-c2cccc(C(=O)NCCc3nnc(O)n3C)c2)nn1 534664021 BICHOJZJBWUEHY-UHFFFAOYSA-N 367.413 1.382 0 50 FDAA CC(C)Cc1noc([C@H](C)NC(=O)N2CCN(c3ncccn3)CC2)n1 534591425 PEPGRPNFTGGSGM-ZDUSSCGKSA-N 359.434 1.651 0 50 FDAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(C(=O)c1cccc3nccnc13)CC2 299768269 SEMNJNGVTPHPNI-ZDUSSCGKSA-N 368.393 1.168 0 50 FDAA CNc1nc([C@@H]2CCOC2)cc(N2CCN(Cc3nccn3C)CC2)n1 299781131 DCHXYKVKBGBZCV-CQSZACIVSA-N 357.462 1.078 0 50 FDAA COc1ccc(OC)c(NC(=O)CCN2CCc3c(c(CO)nn3C)C2)c1 299776681 CMXPTOGODCXHRE-UHFFFAOYSA-N 374.441 1.317 0 50 FDAA Cc1ncn(C)c1C(=O)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 299795212 OBMLIICECJDWCP-BSLVTKGXSA-N 365.481 1.026 0 50 FDAA Cc1noc(C)c1C(=O)NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2 299784415 JQPKWBYOUZRONY-UHFFFAOYSA-N 357.414 1.560 0 50 FDAA COc1cccc(N2C[C@@H](NC(=O)N3CCc4nc(C)[nH]c4C3)CC2=O)c1 584896590 XVYWVNUPIXOXAV-ZDUSSCGKSA-N 369.425 1.600 0 50 FDAA C[C@H](Cc1nc(CC(N)=O)nn1-c1ccc2c(c1)OCO2)n1cccn1 826841825 CFOOXNMWSUWXTD-LLVKDONJSA-N 354.370 1.024 0 50 FDAA Cc1cccc(N2C[C@@H](C(=O)N3C[C@@H]4CCC[C@@H]4[C@H]3C(N)=O)CC2=O)c1C 1875332192 LDCYTSYMTIUVAW-FPXQBCRKSA-N 369.465 1.769 0 50 FDAA C=CC(=O)N1CCC(C(=O)Nc2cc3c(cc2OC)CCC(=O)N3)CC1 1875365308 WLSORHQDVAHSGY-UHFFFAOYSA-N 357.410 1.943 0 50 FDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3nncn3-c3ccccc3)nn(C)c21 1875401279 HWKOXTRSVOPWHG-OLZOCXBDSA-N 366.425 1.953 0 50 FDAA O=C(N[C@H]1CCc2ccccc2NC1=O)c1c[nH]nc1[C@H]1CCCNC1 1875270196 NNMBKLDGXMLVSV-BBRMVZONSA-N 353.426 1.560 0 50 FDAA NC(=O)CN1CCC[C@@H](C(=O)N[C@H](CCn2ccnc2)c2ccccc2)C1 952975012 XTALEJSAGAVGJL-QZTJIDSGSA-N 369.469 1.328 0 50 FDAA Cc1ncnc(C)c1C(=O)NCC1CCN(c2cncc(C(=O)O)n2)CC1 952989428 MIVDDFDMYMBZEX-UHFFFAOYSA-N 370.413 1.228 0 50 FDAA CC(C)CN1CCN(S(=O)(=O)CCOc2ccccc2F)[C@H](C)C1=O 952975345 JBNFVLJCCOFMNH-CQSZACIVSA-N 372.462 1.723 0 50 FDAA COc1ccc(C(=O)N2CC[C@@H](Oc3ccnc(CN(C)C)c3)C2)nn1 886095471 XMRQTGDUKMFORP-OAHLLOKOSA-N 357.414 1.235 0 50 FDAA Cn1cnnc1C[C@]1(O)CCCN(c2ncncc2-c2ccccc2)C1 886065553 KQAYKYZFXYDOHB-LJQANCHMSA-N 350.426 1.846 0 50 FDAA O=C(Cc1cc(F)c(F)cc1F)N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 888094801 CXNRSJYRMYKSGQ-VBQJREDUSA-N 356.344 1.589 0 50 FDAA COc1ccc(N(C)C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2nccn2C)cn1 888076295 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Cc1cc(C)c2[nH]c(CN3C[C@@H](O)[C@H](Cc4cnccn4)C3)cc(=O)c2c1 1704299515 SRBURPKBVCVZCS-FOIQADDNSA-N 364.449 1.970 0 50 FDAA COC(=O)[C@@]1(c2ccccc2)N[C@@H](CC(C)(C)C)[C@H]2C(=O)N(C)C(=O)[C@H]21 210033074 JNUXSHQRLQZUHI-YYQBIWNASA-N 358.438 1.694 0 50 FDAA CC(C)Oc1cccc(CN2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)c1 1615734407 FSZHYKMGNNCCNH-WBVHZDCISA-N 356.488 1.158 0 50 FDAA Cc1ccn(CC(=O)N2CCCN(c3noc(-c4ccccc4)n3)CC2)n1 1772806298 BYPFWPANTINWQF-UHFFFAOYSA-N 366.425 1.980 0 50 FDAA O=C([C@H](Cc1ccc(O)cc1)c1ccccc1)N1C[C@@H]2[C@@H](C1)C2(CO)CO 1775979472 VQVQGTXWLYPQFP-VAMGGRTRSA-N 367.445 1.778 0 50 FDAA CN(Cc1ccccc1)C(=O)CCC1CCN(S(=O)(=O)N(C)C)CC1 11934339 WPEXUCCPOQKJSC-UHFFFAOYSA-N 367.515 1.944 0 50 FDAA O=C(NCCN1CCCc2ccccc21)c1cn(C[C@@H]2CCCO2)nn1 12308329 ZAVHYDSEEQUNNW-INIZCTEOSA-N 355.442 1.640 0 50 FDAA Cc1nc2sccn2c1C(=O)NCc1cccnc1N1CCOCC1 12432077 VWYWZOYAQYXQIY-UHFFFAOYSA-N 357.439 1.866 0 50 FDAA CC(=O)N[C@@H](C(=O)NC[C@@H]1Cc2cc(-c3cnccn3)ccc2O1)C(C)C 14879490 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O=S(=O)(c1sccc1Cl)N1CC2(CCNCC2)[C@@H]2COC[C@@H]21 333466990 AJGNLWFVCQZJTJ-PWSUYJOCSA-N 362.904 1.791 0 50 FDAA CC(C)[C@]12O[C@@H]1[C@@H]1O[C@@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@]13C)C(=O)OC4)C2=O 257547031 SWOVVKGLGOOUKI-AMHCDYHDSA-N 358.390 1.311 0 50 FDAA biogenic O=C(c1ccc(O)nc1)N1CCN(c2nccc(C(F)(F)F)n2)CC1 264396584 UUQQCQOFBKNCMK-UHFFFAOYSA-N 353.304 1.558 0 50 FDAA CCOC(=O)c1ccc(CNS(=O)(=O)c2cccc3nsnc23)o1 3621008 DUVATYGYAPHJCI-UHFFFAOYSA-N 367.408 1.940 0 50 FDAA CC(C)c1nc(O)ccc1C(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2C 2100473621 NOLQTSUXVVQATD-UHFFFAOYSA-N 360.414 1.409 0 50 FDAA O=C(N[C@@H]1CC[C@@H]2CNC[C@H]21)N1C[C@@H]2Oc3c(F)ccc(F)c3O[C@@H]2C1 2325757268 XTOFOUZDXUSLHM-ZXMBVREDSA-N 365.380 1.496 0 50 FDAA O=C(c1cccc(-c2nc(=O)o[nH]2)c1)N1CCC([C@@H]2COCCO2)CC1 2325766635 KWIWPXIUBJWGAX-HNNXBMFYSA-N 359.382 1.298 0 50 FDAA CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1cncn(C)c1=O 2325781097 KQIMIWMBIBQIMJ-VNHYZAJKSA-N 350.415 1.941 0 50 FDAA COCCN(C)c1ccc(CN2Cc3ccccc3C[C@H]2C(N)=O)cn1 248909589 XPBMWFLRGGHOQQ-SFHVURJKSA-N 354.454 1.576 0 50 FDAA CCOC(=O)C1CCN(C(=O)CN(C2CCCCC2)S(C)(=O)=O)CC1 810812 AOBADECMUSDLNW-UHFFFAOYSA-N 374.503 1.382 0 50 FDAA COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc2c(cc1Br)OCO2 847614 SNEUJXREWSDTDH-LBPRGKRZSA-N 369.171 1.979 0 50 FDAA COc1ccc(CCNS(=O)(=O)c2cccc(C(=O)O)c2)cc1OC 1076063 KFXRJLCUOYZYCO-UHFFFAOYSA-N 365.407 1.923 0 50 FDAA Cc1noc(C)c1CC(=O)N1CC[C@@H](O)[C@@](CO)(Cc2ccccc2)C1 2356134895 HKWOSNYHTHHSCZ-QUCCMNQESA-N 358.438 1.649 0 50 FDAA C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCCc1ccccc1 2866423 PZZYZZVGXFTNRD-ZDUSSCGKSA-N 350.415 1.851 0 50 FDAA CS(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)Cc1ccc(Cl)cc1 2870379 ZFSJJFHFEJPTRE-CQSZACIVSA-N 360.863 1.397 0 50 FDAA CCC[C@@]1(C(=O)O)CN(c2cc(N)nc(N(CC)CC)n2)CC[C@H]1O 2356158029 BCKIMQSWGQNZAY-SJKOYZFVSA-N 351.451 1.347 0 50 FDAA Cc1ccccc1CNC(=O)CN1CCC[C@@]12CCCN(CCO)C2=O 2356163599 KILLPHBSNAVQMI-HXUWFJFHSA-N 359.470 1.061 0 50 FDAA O=C(c1cc2c(nc1O)CCCC2)N1CCc2nc(C3CC3)nn2CC1 2356165536 CYHISUGDYSCGKJ-UHFFFAOYSA-N 353.426 1.833 0 50 FDAA CSC(C)(C)[C@H](N)C(=O)N1CCc2nc(Cc3ccccc3)nn2CC1 2356169562 UWWSUVOHHBSMHY-QGZVFWFLSA-N 373.526 1.723 0 50 FDAA CCN1CCN([C@@H]2CCN(C(=O)CCN3CCc4ccccc4C3)C2)CC1 416151836 SQLARNBFXISBIH-OAQYLSRUSA-N 370.541 1.673 0 50 FDAA COc1ccc(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@H]2C3)cc1-n1cnnn1 103032379 GFBDKURKSRSNIN-RWMBFGLXSA-N 363.443 1.385 0 50 FDAA Cc1ccc(F)c(CNC(=O)[C@@H]2CCC(=O)N(CCN(C)C)C2)c1F 20779811 FTYJVZCLPGWXGA-CYBMUJFWSA-N 353.413 1.690 0 50 FDAA CN(Cc1nc(-c2cccnc2)no1)C(=O)c1cccc(NCC(=O)O)c1 55281971 FWVODJXAHBIKIB-UHFFFAOYSA-N 367.365 1.900 0 50 FDAA CC(C)NC(=O)CN1CCN(C(=O)N[C@H](C)c2ccc(F)cc2F)CC1 54067561 WEXHTJMLRWVKAM-CYBMUJFWSA-N 368.428 1.878 0 50 FDAA Cc1nc[nH]c1CN1CC(=O)N(CC(C)C)C[C@H](OCc2ccccn2)C1 20785562 PVLQFQKKHOXRBH-GOSISDBHSA-N 371.485 1.999 0 50 FDAA Cc1cc(N2CCN(C(=O)c3cc(CC(C)C)nn3C)CC2)nc(N)n1 65404102 JTAXUZBCKIWIBI-UHFFFAOYSA-N 357.462 1.262 0 50 FDAA CN(C)CCNc1ccc(C(=O)N2CCC(Cn3cccn3)CC2)cn1 67785679 QERPNFWWTIRZHC-UHFFFAOYSA-N 356.474 1.804 0 50 FDAA CCn1c(C2CCN(C(=O)COCC(F)(F)C(F)F)CC2)n[nH]c1=O 67771527 WGLMAMJECPWGGC-UHFFFAOYSA-N 368.331 1.214 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cccc(-c2ccc(O)cc2)c1 67967471 IATWZQAVCGLJHL-WMZOPIPTSA-N 353.422 1.737 0 50 FDAA CCN1CCN(C2(C(=O)N3CC[C@@H](COC)C3)Cc3ccccc3C2)CC1 20515589 QBPUXUNWVJBRNN-GOSISDBHSA-N 371.525 1.656 0 50 FDAA O=C(O)CN1CCC(NS(=O)(=O)c2ccc(Cl)cc2Cl)CC1 281997888 ODKWTTWHMVICJG-UHFFFAOYSA-N 367.254 1.821 0 50 FDAA Cc1noc(C)c1CCCNC(=O)[C@@H]1CCC(=O)N(CCN(C)C)C1 67642474 DFRWBRJSJSIWFX-OAHLLOKOSA-N 350.463 1.140 0 50 FDAA COCCN(C)CC(=O)N1C[C@@H](NC(=O)C2CC2)[C@H](c2ccc(C)cc2)C1 77437168 XIHFVVLPAQIQPL-RBUKOAKNSA-N 373.497 1.394 0 50 FDAA O=C(O)C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCO1 321921289 IMBNQHLIXMEMCG-JTQLQIEISA-N 353.318 1.570 0 50 FDAA Cc1nn2cc(CCn3ccnc3-c3cc4n(n3)CCNC4)nc2s1 72436114 LUHABTMEEPTCPV-UHFFFAOYSA-N 354.443 1.505 0 50 FDAA CCOc1ccc(C(=O)N2CCC(NC(=O)[C@@H]3CCNC(=O)C3)CC2)cc1 363915248 YNLJVULNHSWQBN-OAHLLOKOSA-N 373.453 1.332 0 50 FDAA CCn1c(N)nc2cc(C(=O)N3CCN(c4cccc(C)n4)CC3)cnc21 77437884 UGTPSFMKZGLZGA-UHFFFAOYSA-N 365.441 1.699 0 50 FDAA CCN1C[C@@]2(C(=O)O)CN(Cc3cc(CN(C)C)cs3)C[C@H]2C1=O 72478186 ZOJRLXNLTYDJGC-YOEHRIQHSA-N 351.472 1.175 0 50 FDAA CCN1CC2(CCN(C(=O)c3cccc(N4CCNC4=O)c3)CC2)OC1=O 72463597 HLNALYKPUHJDOQ-UHFFFAOYSA-N 372.425 1.663 0 50 FDAA O=C(c1cc(N2CCN=C2O)ccc1Cl)N1CCC[C@H]1Cn1ccnn1 328988961 COYVTBIHYZRDQN-ZDUSSCGKSA-N 374.832 1.970 0 50 FDAA O=C(CN(C[C@H]1CCCO1)C(=O)c1ccc2[nH]nnc2c1)N1CCCC1 123380502 NGTWIIJWJDGYCN-CQSZACIVSA-N 357.414 1.202 0 50 FDAA O=C(c1n[nH]c2c1CCC2)N1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1 71765160 OLRVGDYGEVMZNK-UHFFFAOYSA-N 362.393 1.242 0 50 FDAA O=C(C1CC1)N1CCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2C1 77287793 CMDGDSOGRJPFKM-INIZCTEOSA-N 364.467 1.439 0 50 FDAA CN(CC(=O)NCc1ccccc1Cn1cccn1)C1(CO)CCOCC1 241409074 NEKKDKWQXKFCMC-UHFFFAOYSA-N 372.469 1.021 0 50 FDAA Cc1cc(CN2CCC(CNC(=O)c3cnn(C)c3)CC2)nc(N(C)C)n1 241466118 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C[C@@H](COc1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 72437361 IAMXTPASMDVLHJ-GJZGRUSLSA-N 369.487 1.089 0 50 FDAA COc1ccc(-c2ccccc2)cc1N1C(=O)[C@@H]2C[C@H]1CN2C(=O)CO 77320030 PVXFBBNSAQFBPI-RDJZCZTQSA-N 352.390 1.671 0 50 FDAA C[C@H]1CC[C@H](C)N1CCN1CCN(S(=O)(=O)[C@@H]2CCO[C@H](C)C2)CC1 333395808 HVKOVVJWJUTLIC-WNRNVDISSA-N 373.563 1.374 0 50 FDAA O=C(O)CC1CCN(C(=O)CCn2c(O)nc(=O)c3ccccc32)CC1 262497174 XSBLRQIXSYZALE-UHFFFAOYSA-N 359.382 1.206 0 50 FDAA Cc1ncccc1OC1(C(=O)O)CCN(C(=O)Cn2ccnc2C)CC1 72478314 QRYYABDNVDBORZ-UHFFFAOYSA-N 358.398 1.420 0 50 FDAA Cc1nn(C)cc1CN1CC2(CCN(C(=O)C3CC3)CC2)C[C@H]1C(=O)O 72425032 JIUSBJDQROJOOX-INIZCTEOSA-N 360.458 1.406 0 50 FDAA Cn1c(SCC(=O)Nc2ccccc2C(N)=O)nnc1-c1ccco1 17073764 FTYKYPCHIDZAMF-UHFFFAOYSA-N 357.395 1.905 0 50 FDAA CCCN(Cc1ccncc1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccoc1 72166495 YKNMBOXAUPMHNS-GOSISDBHSA-N 370.453 1.804 0 50 FDAA O=c1[nH]cc(S(=O)(=O)N2CCCC[C@H]2CCc2ccccc2)c(=O)[nH]1 72145378 HMFTZTMRKWHRHF-AWEZNQCLSA-N 363.439 1.239 0 50 FDAA COc1cncc([C@@H](NC(=O)c2cnc3cccnn23)[C@H]2C[C@H](O)C2)c1 220250459 HCCZZVQAOXWRCH-PPHDSNJXSA-N 353.382 1.375 0 50 FDAA Nc1nc2c(c(N3CCCn4nc([C@@H](O)C5CCC5)cc4C3)n1)CCC2 223539527 DBWKYJCCQSXOOW-KRWDZBQOSA-N 354.458 1.988 0 50 FDAA C[C@@H](CS(C)(=O)=O)N(C(=O)c1cc2c(cc1F)NC(=O)CC2)C1CC1 160621611 JJSOTMGLPQNKPN-JTQLQIEISA-N 368.430 1.748 0 50 FDAA Cc1n[nH]c(C)c1CCN(C)C(=O)Nc1ccc(-c2nnn(C)n2)cc1 96147997 YHOHWAHJGAGTBT-UHFFFAOYSA-N 354.418 1.923 0 50 FDAA CC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cc(=O)cc(C)o1)CC2 91713979 CESHOPBRSUULDL-UHFFFAOYSA-N 370.409 1.207 0 50 FDAA CCN1CCC[C@@]2(CCN(CCCOc3ccc(C(N)=O)cc3)C2)C1=O 91754869 YFRODQJDUCDBIE-FQEVSTJZSA-N 359.470 1.889 0 50 FDAA CCCc1cc(N2CCC(N[C@H]3CCS(=O)(=O)C3)CC2)nc(C)n1 95523291 NCHWXHFPYMXNEL-INIZCTEOSA-N 352.504 1.483 0 50 FDAA O=C(c1cc2ncccn2n1)N1CCc2nnc(-c3ccccc3)n2CC1 97505300 PYEAYXSAXMKNKQ-UHFFFAOYSA-N 359.393 1.686 0 50 FDAA CC1=CCN(Cc2ccc(OC[C@H](O)CN3CCN(C)CC3)cc2)CC1 95498675 AUWKXKFHVUMMIS-HXUWFJFHSA-N 359.514 1.826 0 50 FDAA COc1ccc2c(c1)[C@H](C(=O)N1CCN(c3cccnc3)CC1)CC(=O)N2 91964877 JOPIOGKVFGAEBA-QGZVFWFLSA-N 366.421 1.865 0 50 FDAA CC(C)c1ccc(C(=O)N2CCNC(=O)[C@H]2c2cccc(F)c2)c(=O)n1C 97743241 JHTGFXAIRFDZBZ-QGZVFWFLSA-N 371.412 1.961 0 50 FDAA CSCCc1nc(-c2cc(=O)n(C)c(=O)n2C)n(Cc2ccccc2)n1 95527961 LABOUEOZXWLXFT-UHFFFAOYSA-N 371.466 1.296 0 50 FDAA COCc1ncc(C(=O)N2CCCNC(=O)[C@@H]2Cc2ccccc2)s1 294440249 PJTAYBMNFWYSBK-AWEZNQCLSA-N 359.451 1.863 0 50 FDAA COCCn1cnnc1[C@H](C)NC1CCN(c2nc(C)cc(C)n2)CC1 95362238 QDIVSEBDLMVSGJ-HNNXBMFYSA-N 359.478 1.651 0 50 FDAA COCCN1CC2(CCC1=O)CCN(C(=O)c1ccc(N(C)C)nc1)CC2 91519317 DNMQPTUAARZTMY-UHFFFAOYSA-N 374.485 1.639 0 50 FDAA C[C@H]1CN(CCCNC(=O)c2ccoc2C2(O)CCOCC2)C[C@@H](C)O1 239807513 CSPIMOYQTPGDCQ-GASCZTMLSA-N 366.458 1.507 0 50 FDAA CN(C)CCn1ccnc1C1CCN(C(=O)c2cn3cccnc3n2)CC1 91425675 YRTKKLSYWSOAQX-UHFFFAOYSA-N 367.457 1.507 0 50 FDAA O=S(=O)(N1CCCCC1)N1CCCN(c2cc(C3CC3)ncn2)CC1 95378356 IBIPGXMWECSLLI-UHFFFAOYSA-N 365.503 1.597 0 50 FDAA CN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc3c(c1)OCO3)CC2 91604813 HWTIGRSEUSNRBW-UHFFFAOYSA-N 354.410 1.758 0 50 FDAA CN1CCC(N(C)C(=O)CC[C@H]2CCCN(C(=O)c3ccnnc3)C2)CC1 95506924 NXTGTTZIDRUPFQ-MRXNPFEDSA-N 373.501 1.662 0 50 FDAA COC1=C[C@]23[C@H]4[C@@H]5[C@@H]6[C@@H]5[C@@H]2[C@@]3(C=C1)[C@H]6n1c(=O)n(-c2ccccc2)c(=O)n14 247956598 OOZBMPUTEZZCTM-RMNKFWTNSA-N 359.385 1.489 0 50 FDAA COc1ccc([C@@H](NS(=O)(=O)N2CCC(C)CC2)[C@H]2C[C@@H](O)C2)cn1 252536764 JNUXMEBMVSXODC-HLLBOEOZSA-N 369.487 1.469 0 50 FDAA C[C@@H](C(F)(F)F)S(=O)(=O)NC1CCN(Cc2ccccn2)CC1 184222366 CRUOVAQJVNQSMK-NSHDSACASA-N 351.394 1.916 0 50 FDAA O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc(C(=O)O)nc1 299749201 JKVHMWJKMDOMAI-ZDUSSCGKSA-N 359.769 1.969 0 50 FDAA COCc1n[nH]c(C)c1-c1ccc(C(=O)N2CCC[C@H](C(N)=O)C2)cc1 534676161 ZWSGCZTZSQRCGF-HNNXBMFYSA-N 356.426 1.869 0 50 FDAA CCn1ncnc1[C@@H](C)NC(=O)c1ccc(-c2cc(=NC)nc(N)[nH]2)cc1 534652346 RBMCLUUXEIZJSD-LLVKDONJSA-N 366.429 1.292 0 50 FDAA CN(C)c1nccnc1-c1ccc(C(=O)NCCc2ncnn2C)cc1 534660527 XJJPMJCVJVFZQB-UHFFFAOYSA-N 351.414 1.311 0 50 FDAA NC(=O)C[C@H]1CCCCN1C(=O)c1ccc(-c2cncc(C(N)=O)n2)cc1 534646593 BYFFSYSMVZLGQS-CQSZACIVSA-N 367.409 1.113 0 50 FDAA O[C@@]12CCOC[C@@H]1CN(Cc1cnc(N3CCCC3)nc1)[C@H]1CCOC[C@H]12 299782899 WRRATQCQZIGNSD-DMUMMCEESA-N 374.485 1.065 0 50 FDAA CCn1c(C)ccc(C(=O)N2CCCO[C@H](CN3CCCCC3)C2)c1=O 299769672 SXKIETAMGZJNTO-QGZVFWFLSA-N 361.486 1.894 0 50 FDAA CC(C)N1CCN(C(=O)CCNC2CCC3(CCNCC3)CC2)CC1 67673146 GSPPXHWMKHKKAU-UHFFFAOYSA-N 350.551 1.831 0 50 FDAA COCC(=O)NCc1cc2n(n1)CCN(Cc1ccc(OC)c(F)c1)C2 299772709 BNIRUYCXNDRTCR-UHFFFAOYSA-N 362.405 1.309 0 50 FDAA Cc1cc(C)n(CCNC(=O)COCc2nc3cccc(C)c3[nH]2)c(=O)n1 828026329 KMGOPYQQNBFPPA-UHFFFAOYSA-N 369.425 1.378 0 50 FDAA COc1ccc(N2C[C@H](C(=O)N3CCC[C@@H]3C(=O)O)CC2=O)c(OC)c1 269118478 QEQQOCHTFBSQOO-BXUZGUMPSA-N 362.382 1.132 0 50 FDAA CCC[C@]1(C2CCNCC2)NC(=O)N(Cc2ccc(C(=O)NC)o2)C1=O 67896462 PDKDGCBQWYPDIG-GOSISDBHSA-N 362.430 1.230 0 50 FDAA O=C1CC2(CCC2)[C@@H](N=c2ccc3nnc(-c4ccc(F)cc4)n3[nH]2)CN1 1875294526 IEPRFWRHMUJVMN-AWEZNQCLSA-N 366.400 1.823 0 50 FDAA CNC(=O)C[C@@H]1CN(CCCc2ccccc2Br)C[C@H]1O 1875398756 DHRRWNHNIBPLHQ-UKRRQHHQSA-N 355.276 1.811 0 50 FDAA CN1C[C@@H](NC(=O)c2ccccc2-n2cccn2)[C@H](c2cncn2C)C1 952886392 LYKBEUIZMFZBDD-HZPDHXFCSA-N 350.426 1.433 0 50 FDAA NC(=O)[C@H]1CC[C@@H](C2CCN(C(=O)C3(Oc4ccccc4)CC3)CC2)O1 952889571 HSDKSKFPQVDNQH-DLBZAZTESA-N 358.438 1.870 0 50 FDAA O=C(c1cccc2c1OCCNC2)N1CCN(Cc2cccc(O)c2)CC1 1340845707 SBAINNRXPGUOII-UHFFFAOYSA-N 367.449 1.832 0 50 FDAA CC1CCN(C(=O)COc2ccccc2CN2CC[C@H](N)[C@@H](O)C2)CC1 1565528983 LYBDIJOTFDPDPD-ROUUACIJSA-N 361.486 1.218 0 50 FDAA C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1ccnc2c(C(N)=O)cnn12 271043926 RMTNKKVRRSMTJP-BXKDBHETSA-N 359.411 1.132 0 50 FDAA COc1ccccc1C[C@H](C)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 275724999 ZJDCVJFJNQGZOA-DOTOQJQBSA-N 356.470 1.979 0 50 FDAA CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C 186538391 IRXLVQUFGLIAQN-HUUCEWRRSA-N 368.499 1.814 0 50 FDAA CNS(=O)(=O)c1ccc(N2CCO[C@H](c3cnn(C)c3)C2)c(F)c1 301931649 OPHJUEXWHZXRJJ-HNNXBMFYSA-N 354.407 1.045 0 50 FDAA Cc1nc2n(n1)C[C@H](NC(=O)COc1cccc(N3CCCC3=O)c1)CC2 171335698 ZKKMZQPXBXLSQQ-CQSZACIVSA-N 369.425 1.223 0 50 FDAA CN(C1Cc2ccccc2C1)S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 280717903 LVMKMVACIGDLAX-UHFFFAOYSA-N 366.464 1.273 0 50 FDAA C[C@@H](OC[C@H]1CCCCO1)C(=O)N1CCN(C(=O)N(C)C)CC1(C)C 408124508 QGRNTHDKOXILRI-HUUCEWRRSA-N 355.479 1.565 0 50 FDAA CCOc1cn(-c2ccccc2)nc1C(=O)N(CC(=O)O)C1CCOCC1 408513298 NCMWYHCRFKOHRH-UHFFFAOYSA-N 373.409 1.977 0 50 FDAA CC[C@H]1CCc2nc(NC(=O)N3CCN(C(=O)CO)CC3)sc2C1 194456710 GZCLWWAIXIIKFD-NSHDSACASA-N 352.460 1.326 0 50 FDAA COc1ccc([C@@H](C(=O)O)N2CCOC3(CCNCC3)C2)cc1OC 1529106253 MOJHOWLHNFJVBO-INIZCTEOSA-N 350.415 1.284 0 50 FDAA Cc1[nH]nc(O)c1CC(=O)N1CC[C@H]2[C@@H](C1)CN2C(=O)CC1=CCCC1 1775980220 UYIDVDKDMPLBMM-HOCLYGCPSA-N 358.442 1.526 0 50 FDAA O=C1CC[C@@H](C(=O)N2CCCN(c3nccc4ccccc34)CC2)CN1 1772810818 MKJFMRYEQNHGRB-MRXNPFEDSA-N 352.438 1.800 0 50 FDAA CN1C[C@@H](C(=O)N2CCCN(CCCOc3ccccc3)CC2)CCC1=O 1772712470 MSDVVHUOPAUKAN-SFHVURJKSA-N 373.497 1.858 0 50 FDAA O=C(c1ccc[n+]([O-])c1)N1CC[C@@H](C2CCN(c3ncccn3)CC2)C1 11661432 SRILBKCKGIDMID-MRXNPFEDSA-N 353.426 1.489 0 50 FDAA O=C(CN1CCC(O)CC1)N[C@@H]1CCCN(CCCc2ccccc2)C1 11814948 XEULUDSGKPHHJB-LJQANCHMSA-N 359.514 1.657 0 50 FDAA O=C1CCC(C(=O)N2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)=NN1 11818228 VUUMSIWYFYYMFH-KRWDZBQOSA-N 369.469 1.408 0 50 FDAA O=C(NCCn1cccn1)[C@H]1CCC(=O)N(CCCc2ccccc2)C1 12429378 YIBXFZKNBJKSEE-SFHVURJKSA-N 354.454 1.871 0 50 FDAA Nc1nnc(SCC(=O)N2CCN(C(=O)c3cccs3)CC2)s1 14015229 MZPNEDZZPCXVJH-UHFFFAOYSA-N 369.497 1.259 0 50 FDAA CN(C)CCSc1nnc(CNC(=O)c2ccc3c(c2)OCO3)n1C 14990826 PBTBSHNEUNWIAS-UHFFFAOYSA-N 363.443 1.128 0 50 FDAA Cc1ncc2c(c1-c1noc(-c3ccc(Cn4cnnn4)cc3)n1)CCNC2 19812522 COLNLXJGLMHSPG-UHFFFAOYSA-N 374.408 1.788 0 50 FDAA Cc1noc(-c2cn([C@@H]3CCN(C(=O)COc4ccccc4)C3)nn2)n1 169777926 WJSHSWWWLVXHBW-CYBMUJFWSA-N 354.370 1.489 0 50 FDAA O=C(N[C@H]1C[C@@H](Cn2ccnc2)C[C@@H]1O)c1ccc(-n2ccnc2)cn1 1857527232 NCMVRNSWLWOPML-COXVUDFISA-N 352.398 1.033 0 50 FDAA COCCC[C@@]1(CO)CN(CCCOc2ccccc2OC)CC[C@H]1O 1857738147 SUVKFSIYMLPZBN-UXHICEINSA-N 367.486 1.936 0 50 FDAA Cc1cc(=O)c(C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)c[nH]1 1857710183 KTQOYFQAUTXRSS-JTDSTZFVSA-N 353.422 1.628 0 50 FDAA C[C@H]1CN2C[C@H](N=c3cc(C(F)(F)F)nc(N4CCCC4)[nH]3)C[C@H]2CO1 1857722345 IRNVCNDGVGBATL-XQQFMLRXSA-N 371.407 1.791 0 50 FDAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)COc4cccc(F)c4)[C@@H]2CC(=O)N13 1857727878 DBZPHNNZQXOCPK-FCEWJHQRSA-N 362.401 1.789 0 50 FDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3cc[nH]c3)CC(=O)N2[C@H]1c1ccccc1 1857739387 QLBXTQQWHIWVAD-BQFCYCMXSA-N 367.405 1.602 0 50 FDAA CCCc1cc(C(=O)N=c2nc3nc(C)c(CCC)c(O)n3[nH]2)n(C)n1 1875240631 CWILVOSFHMABRI-UHFFFAOYSA-N 357.418 1.451 0 50 FDAA C[C@H]1COC[C@H]2CN(C(=O)c3nc4ccc(Cl)cn4c3F)CCN12 1875246331 LYRBFGWCZZTFEB-CMPLNLGQSA-N 352.797 1.672 0 50 FDAA CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)c2csc(-c3cnn(C)c3)n2)C1 331951924 OYUPOVBPHLWUSM-DGCLKSJQSA-N 361.471 1.920 0 50 FDAA C[C@H]1CCCN(C(=O)CCCOc2ccc(S(C)(=O)=O)cc2)[C@@H]1CN 237686023 LKUGYIOUXXAJGW-WMLDXEAASA-N 368.499 1.835 0 50 FDAA CCCO[C@@H]1CC[C@H](C(=O)N(C)CC)C[C@H]1NC(=O)c1c[nH]c(=N)s1 2100541033 UBJOREGBCYXAIU-YNEHKIRRSA-N 368.503 1.728 0 50 FDAA CCc1cc(=O)n2nc(N3CCc4cc(O)c(OC)cc4C3)sc2n1 2325761683 GBQNLISPZUFJSY-UHFFFAOYSA-N 358.423 1.990 0 50 FDAA O=C(N[C@@H]1CCCNC1)c1cnc(-c2cccc(Cn3ccnc3)c2)cn1 2325796673 CGENXUYHOKTQIA-QGZVFWFLSA-N 362.437 1.870 0 50 FDAA CCc1cccc(C)c1NC(=O)CN1Cc2ccnn2C[C@H](C(=O)OC)C1 2325804152 XJQPIPBCVHMLIR-MRXNPFEDSA-N 370.453 1.997 0 50 FDAA COc1cc(C=O)cc(Br)c1OCC(=O)N1CCOCC1 1079272 JHEGQSDCYIQRAL-UHFFFAOYSA-N 358.188 1.508 0 50 FDAA O=C(c1cnc(N2CCOCC2)nc1)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356154575 ANYDCXDWLKSYHJ-IBGZPJMESA-N 368.441 1.157 0 50 FDAA CCOC(=O)[C@@H]1CCCN(C(=O)CS(=O)(=O)Cc2ccccc2)C1 2849012 NZFLQIUKSPSTQY-OAHLLOKOSA-N 353.440 1.403 0 50 FDAA Cc1nc(N2CCC[C@@]3(CCc4c[nH]c(=N)nc43)C2)c2c(C)noc2n1 2356158437 KLGQVUUMLAELEV-GOSISDBHSA-N 351.414 1.922 0 50 FDAA O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc12 2928242 FVOBEGVUELSHSE-GFCCVEGCSA-N 363.420 1.666 0 50 FDAA CC[C@@H](Nc1cccc(OC)c1)C(=O)NCCSc1nnnn1C 55253887 JBKCEGJZROEJCY-CYBMUJFWSA-N 350.448 1.318 0 50 FDAA COC(=O)c1ccc(C(=O)N2CCNC(=O)[C@H]2Cc2ccccc2)nc1 20999120 ZEMFFLQFVSKJEM-MRXNPFEDSA-N 353.378 1.052 0 50 FDAA CC(C)N1CCNC(=O)[C@@H]1CC(=O)N1Cc2cnc(C(C)(C)C)nc2C1 67948137 RRNNHEFVOZIDOR-HNNXBMFYSA-N 359.474 1.215 0 50 FDAA O=C(CNCCS(=O)(=O)N1CCCC1)Nc1ccc(Cl)cc1F 65386705 KXQZJUBDMZGGTJ-UHFFFAOYSA-N 363.842 1.433 0 50 FDAA Cc1ccccc1-c1cn[nH]c1C1CCN(C(=O)Cn2ncnn2)CC1 67856109 FTJNCGUPVFJBCK-UHFFFAOYSA-N 351.414 1.778 0 50 FDAA CC(C)(CN1CCCC1)NC(=O)c1cc(CN2CCC[C@@H](O)C2)on1 67689021 DCQLYKGOEZYYLE-CQSZACIVSA-N 350.463 1.236 0 50 FDAA CCc1nn(C)cc1C(=O)N1CCC[C@@H](N(C)Cc2noc(C)n2)CC1 328642037 QUDUHVPTYVMHBY-CQSZACIVSA-N 360.462 1.801 0 50 FDAA CCOC(=O)N1CCN(C(=O)[C@@H]2CC(c3ccc(OC)cc3)=NO2)CC1 6738256 GWMIVCRBALPXAY-INIZCTEOSA-N 361.398 1.489 0 50 FDAA C[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](N(C)Cc2nccc(N)n2)C1 328630173 JCPAPEHQFMPGIY-NVXWUHKLSA-N 353.470 1.970 0 50 FDAA CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)COc2ccc(C)cc2)C1 72446853 SJIBEACJDRDPGG-JKSUJKDBSA-N 368.499 1.940 0 50 FDAA CCN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCc4ccc(C)cc4)C(=O)[C@H]13)O2 77471608 OAIXTFIGJOYBJS-NYUBLWNDSA-N 354.450 1.798 0 50 FDAA COc1cccc(CN2CCN(C(=O)c3cc(C)nc(C)n3)CC2=O)c1 218986041 HZRYWVKAEDZWCW-UHFFFAOYSA-N 354.410 1.587 0 50 FDAA O=C(NCCc1nccs1)c1cccc(S(=O)(=O)NCCF)c1 216149994 DVMRQVKRGGAUSU-UHFFFAOYSA-N 357.432 1.363 0 50 FDAA C[C@H]1CN(C[C@H]2CCCN2C(=O)CNC(=O)Cc2ccccc2)C[C@@H](C)O1 363627537 JRLFOCFJKLJPSM-ZIFCJYIRSA-N 373.497 1.446 0 50 FDAA Cc1cnc(CN2C[C@]3(CCCN(CCc4cn[nH]c4)C3)CCC2=O)cn1 77353568 AZEMCTNDLHVZHN-HXUWFJFHSA-N 368.485 1.955 0 50 FDAA COc1cccc(C(=O)N2CCN(Cc3cn(CCO)nc3C)CC2)c1 72158587 YZZXDSMIUJVUHQ-UHFFFAOYSA-N 358.442 1.150 0 50 FDAA CC(C)N(C)C(=O)CN1CCC[C@H](c2cc(N3CCOCC3)ncn2)C1 72408005 DYNYWJAUYJXXHO-INIZCTEOSA-N 361.490 1.359 0 50 FDAA O=C(CCN1CCOCC1)N1CCC([C@@H](O)CCc2ccccc2)CC1 77320116 IDRPUDSDNFITOJ-FQEVSTJZSA-N 360.498 1.941 0 50 FDAA Cc1noc(C)c1C(=O)N1CCC(N2CCC[C@H](C(=O)NC3CC3)C2)CC1 71748298 KQGHJJQPSSNYGM-HNNXBMFYSA-N 374.485 1.887 0 50 FDAA CCn1ccnc1CN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C(C)(C)C)C(=O)[C@@H]13)O2 77503953 MNBWFYZQOXMOAT-MNFOOTCESA-N 372.469 1.442 0 50 FDAA CN(C)S(=O)(=O)N1CCN(C(=O)C[C@@H]2CCc3ccccc32)CC1 216228377 BDFHUDJYTMXQJX-HNNXBMFYSA-N 351.472 1.057 0 50 FDAA O=C(O)c1cccc(CC2CCN(C(=O)CCCn3cnnn3)CC2)c1 72131974 UXQJSQAPCCTYCX-UHFFFAOYSA-N 357.414 1.633 0 50 FDAA COc1ccc(CN2C[C@H](O)[C@@H](N(C)CCCn3cccn3)C2)c(F)c1 72418609 ZASVEFUQUGAIGL-OALUTQOASA-N 362.449 1.598 0 50 FDAA COc1ccc(C(=O)NCC(=O)Nc2nnc(C(F)(F)F)s2)cc1 127961657 VNEHNZFZXZHJPI-UHFFFAOYSA-N 360.317 1.934 0 50 FDAA CN1CC[C@@H](N2CCC(NC(=O)c3cccc4c3CCCC4)CC2)C1=O 333333995 AFHXILURBYMLTH-LJQANCHMSA-N 355.482 1.990 0 50 FDAA Cc1ccc(C(=O)O)cc1CNC(=O)CN1CCO[C@@H](C(F)(F)F)C1 71774486 BNYOZAOLMBRGQV-CYBMUJFWSA-N 360.332 1.573 0 50 FDAA CC(C)c1cc(C(=O)N2CCC(CN3CCN(C)CC3)CC2)nc(N)n1 216350873 MSWBQGTXPIPCSF-UHFFFAOYSA-N 360.506 1.282 0 50 FDAA O=C(O)CC1(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)CCOCC1 262473747 JRSJKGBCGNORNO-GFCCVEGCSA-N 364.373 1.319 0 50 FDAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)CCC(C)(C)O)cc1 72172391 BRJZCTOZWHMSAZ-KRWDZBQOSA-N 361.486 1.305 0 50 FDAA Cn1nc(NC(=O)CCCn2cncn2)c2c(N3CCOCC3)cccc21 72424672 XNHGFBCRRAHISW-UHFFFAOYSA-N 369.429 1.420 0 50 FDAA COc1cccc(CN2CCC[C@](O)(CNCc3ccco3)C2=O)c1OC 71278927 RGZHRSLEBHLZLG-FQEVSTJZSA-N 374.437 1.940 0 50 FDAA CC(C)CCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCSCC2)[C@@H]3C1=O 77341635 IXXBZJCEMMRPHN-BORJPKMPSA-N 350.484 1.390 0 50 FDAA Cc1cc(N2CCC(C(=O)N3CCOCC3)CC2)n2nc(C)c(C)c2n1 72410218 HZGCXMXVCBYIAC-UHFFFAOYSA-N 357.458 1.730 0 50 FDAA O=C1COc2c(F)cc(-n3ccnc3-c3cc4n(n3)CCCNC4)cc2N1 72476596 KVVINVYDAOSPNN-UHFFFAOYSA-N 368.372 1.699 0 50 FDAA O=C(CCOc1ccccc1)NCCn1[nH]c(=O)c2ccccc2c1=O 220226563 ACFPIAJYZULKKJ-UHFFFAOYSA-N 353.378 1.275 0 50 FDAA COc1cc(C(=O)O)ccc1CCNC(=O)[C@H]1COc2ccccc2O1 263369799 XNNBNVPRYHTPEF-QGZVFWFLSA-N 357.362 1.892 0 50 FDAA O=C(CCCn1cnc2ccccc2c1=O)NCc1cnc2cnccn12 221332920 VUTLJBZVJGGXDT-UHFFFAOYSA-N 362.393 1.536 0 50 FDAA CCO[C@@H]1COCC[C@H]1NC(=O)CCNC(=O)c1cccc(OC)c1 220557700 JGZCPFPBYWZVEN-HZPDHXFCSA-N 350.415 1.125 0 50 FDAA CS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc(N2CCCC2)nn1 177372186 PIRRVWPXKDJGPC-UHFFFAOYSA-N 374.466 1.551 0 50 FDAA CN(Cc1noc2c1CCCC2)C(=O)[C@H](Cc1ccccc1)n1cnnn1 426489602 JFGAHWYJHPHLRE-KRWDZBQOSA-N 366.425 1.982 0 50 FDAA CCCN1C[C@@H](NC(=O)Cc2cc(OC)c(OC)cc2C(C)=O)CC1=O 220078394 GCJLYQJVPAJDOK-AWEZNQCLSA-N 362.426 1.576 0 50 FDAA Cc1cc(=O)[nH]c(CCNC(=O)c2ccc(CN3CCC(C)CC3)o2)n1 223149489 GKVJSWTUNIRUPV-UHFFFAOYSA-N 358.442 1.876 0 50 FDAA CN1CCC(N(C)CC(=O)N2CC(Oc3cccc(Cl)c3)C2)CC1 221302462 ULCWATCGVULBJA-UHFFFAOYSA-N 351.878 1.956 0 50 FDAA COc1ccc(CCNC(=O)CN2CC[C@]3(CCCN(C)C3=O)C2)cc1 91254403 YFSGLHYOWMXOHU-HXUWFJFHSA-N 359.470 1.298 0 50 FDAA CC(C)c1nnc(N2C[C@H](CO)[C@H](CN3CCC(CO)CC3)C2)s1 95370324 FIUUWEADAGLMDR-HUUCEWRRSA-N 354.520 1.411 0 50 FDAA C=Cc1cccc(CN2C[C@H](NC(=O)c3ncc[nH]3)C[C@H]2C(=O)NCC)c1 95506691 BCIJVBKXLQKYHO-SJORKVTESA-N 367.453 1.562 0 50 FDAA O=C1N(CC2CCC2)CCC[C@@]12CCN(S(=O)(=O)c1cccnc1)C2 91820139 VXDYNDBNSOOIQR-SFHVURJKSA-N 363.483 1.885 0 50 FDAA Cn1cnnc1CN1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 91817729 DHJWYYWEFLJVLM-UHFFFAOYSA-N 354.458 1.615 0 50 FDAA COc1cccc2c1OC[C@@H](C(=O)NCCn1c(C)cc(C)nc1=O)C2 95362032 ZTLATQQTKMJQJW-HNNXBMFYSA-N 357.410 1.236 0 50 FDAA Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CC[C@@]2(CCCN(C(C)C)C2=O)C1 91907243 BGXZIEASDDRUPW-FQEVSTJZSA-N 374.485 1.569 0 50 FDAA CCn1nccc1N1CCC[C@H](NC(=O)c2coc3c2C(=O)CCC3)C1=O 295042690 AAZLBEHNSNKOCX-ZDUSSCGKSA-N 370.409 1.940 0 50 FDAA CN1CCC(Nc2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)CC1 96150589 HWDXNWLPXMEEQR-UHFFFAOYSA-N 363.462 1.182 0 50 FDAA CN(C)CCN1C[C@@H](C(=O)NC2(Cc3ccc(Cl)cc3)CC2)CC1=O 95388714 OBPCFTYVGNJSTA-HNNXBMFYSA-N 363.889 1.941 0 50 FDAA COc1ccc(NC(=O)NCCSc2cn[nH]n2)cc1C(=O)N(C)C 96150150 BQWSKVPYHJJDCH-UHFFFAOYSA-N 364.431 1.429 0 50 FDAA COc1ccc2c(c1)C[C@H](C(=O)N1CCN(Cc3noc(C)n3)CC1)CO2 91745246 XDFGKDILGDCHMP-HNNXBMFYSA-N 372.425 1.282 0 50 FDAA O=C(c1cnn2cccnc12)N1C[C@H]2CC[C@@H]1CN(Cc1cccnc1)C2 91707595 WDPFWCLHQGGAID-DLBZAZTESA-N 362.437 1.861 0 50 FDAA Nc1nc(NCc2nc(Cc3cccs3)no2)cc([C@H]2C[C@@H](O)C2)n1 244899322 ZHUHDQAJJADVBR-AOOOYVTPSA-N 358.427 1.945 0 50 FDAA CN1C(=O)N[C@@]2(CCN(C(=O)[C@@H]3COc4ccc(Cl)cc4C3)C2)C1=O 299705561 YZLHXNFEIXDJIW-APPDUMDISA-N 363.801 1.044 0 50 FDAA O=C(O)C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CCCCCC3)C2)CCO1 299752001 SHYCLYUOBJETEK-HIFRSBDPSA-N 352.431 1.260 0 50 FDAA CCn1nnc(-c2cccc(NC(=O)NCCSc3nncn3C)c2)n1 299780416 SOGVSALQGLOMQC-UHFFFAOYSA-N 373.446 1.402 0 50 FDAA COc1ccc2c(C)c(C(=O)NCCN3CCC(O)CC3)oc2c1OC 299779312 TUJYPRDPNGKLLU-UHFFFAOYSA-N 362.426 1.945 0 50 FDAA O=C(O)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 269189766 NNUHZBVKNSGZNZ-ZDUSSCGKSA-N 351.424 1.950 0 50 FDAA O=C(Cc1c[nH]c2ncccc12)N1CCC(N2CCCS2(=O)=O)CC1 1451386281 OMEKROUKZLWXDU-UHFFFAOYSA-N 362.455 1.132 0 50 FDAA CN(C[C@H]1CCCN1C(=O)[C@H]1CCCC(=O)N1)c1ncnc2c1CCC2 1875327261 RUXRCOATJDPEJZ-CZUORRHYSA-N 357.458 1.061 0 50 FDAA C=CC(=O)N1CCC(C(=O)N2CCC(c3nnc4n3CCCC4)CC2)CC1 1875365363 FNDPNOAHXGBAMU-UHFFFAOYSA-N 371.485 1.745 0 50 FDAA Cn1ccc(C(=O)N[C@@H]2CCC[C@@H]3CN(C(=O)[C@@H]4CC45CCC5)C[C@@H]32)n1 1875404912 AXXYLUIGTFRNHE-FXUDXRNXSA-N 356.470 1.967 0 50 FDAA COc1ccc(C[C@](C)(CO)NC(=O)c2cccn(C3CC3)c2=O)cc1 874738080 ZQTBCJNOHWZMSK-HXUWFJFHSA-N 356.422 1.915 0 50 FDAA CN(C)c1ncc(/C=C/C(=O)N2CCCO[C@@H](CN3CCCCC3)C2)cn1 952975601 ZYRDSUNAWSBUFK-DVBCCOPCSA-N 373.501 1.659 0 50 FDAA COc1nc(C)nc(NC[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)c1C 888102830 PHOOETCYJRXVEE-CJNGLKHVSA-N 358.446 1.857 0 50 FDAA CN1CCc2[nH]nc(C(=O)N3C[C@@H]4CC[C@H]3CN(C3CCOCC3)C4)c2C1 1565528787 KNNLSLMUYXHBSF-ZBFHGGJFSA-N 373.501 1.113 0 50 FDAA O=C(CC1=CSC2=NCCN12)N1C[C@@H]2CC[C@H]1CN(c1ncccn1)C2 1565529517 OVVXHFBYBAOYHG-KGLIPLIRSA-N 370.482 1.554 0 50 FDAA Cc1ccc(CN2CCN(C(=O)N(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1C 1073414759 YVYPRCYMHLVXIQ-SJORKVTESA-N 365.499 1.268 0 50 FDAA Cn1cc(CN2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)c(=O)n(C)c1=O 278769257 UKJBGFYQKQGUKI-SNVBAGLBSA-N 371.363 1.206 0 50 FDAA O=C1CCCN1Cc1ccc(C(=O)N2CCC(Cn3cncn3)CC2)cc1 188199112 PRJWMAPUQYDZRX-UHFFFAOYSA-N 367.453 1.953 0 50 FDAA COc1cccc(CN(C)C(=O)[C@@H]2CCCN2C(=O)c2ccccn2)n1 189275426 GUASVRZIUOYTBV-INIZCTEOSA-N 354.410 1.748 0 50 FDAA COc1cccc(C(=O)NCCNC(=O)[C@H]2COc3ccccc3C2)c1 193232140 XYEJEKANMDKRRF-MRXNPFEDSA-N 354.406 1.793 0 50 FDAA CN(C)Cc1nc(C(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)cs1 1529103418 BGISTGOOUSHCQP-NVXWUHKLSA-N 361.467 1.779 0 50 FDAA CC(C)N1C(=O)CO[C@H](C(=O)N(C)CCN2CCCC2)[C@H]1c1ccccc1 1529187711 XYWZUWYJFNLKGH-UXHICEINSA-N 373.497 1.918 0 50 FDAA O=C(c1ccccn1)N1CC[C@H]2[C@H](CCC(=O)N2CCc2cnc[nH]2)C1 217039649 GXGXEWGDSHLUEQ-PBHICJAKSA-N 353.426 1.501 0 50 FDAA O=C(c1ccc(C(=O)N2CCC[C@@]3(CCC[C@H]3O)C2)cc1)N1CCOCC1 1704302948 FKGNAFVOBCIUCN-NQIIRXRSSA-N 372.465 1.926 0 50 FDAA CO[C@@H]1C[C@H](C(=O)NCCNC(=O)c2ccccc2Cl)CC[C@@H]1O 1704309232 LGMDZVHWYPSVIM-BYCMXARLSA-N 354.834 1.362 0 50 FDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)CCc1ccc(Cl)cc1 1704338326 QWJKSQQVERJSDG-ZFWWWQNUSA-N 374.890 1.295 0 50 FDAA Cc1cccc(CC(=O)N2C[C@H]3CN(C(=O)c4ccco4)C[C@@]3(CO)C2)c1 1772804659 CIRCGMNSTSPJCF-LAUBAEHRSA-N 368.433 1.724 0 50 FDAA CC(=O)N1CCC(C(=O)N2CCCN(C[C@H]3CCCOC3)CC2)CC1 1772712931 VUPIBSMCAATZIO-QGZVFWFLSA-N 351.491 1.206 0 50 FDAA Cc1cccc(CN2CCC[C@]3(CCN(C(=O)CCn4cnnn4)C3)C2)c1 12209885 FTYHSNJEFKFLQY-FQEVSTJZSA-N 368.485 1.886 0 50 FDAA Cc1nccn1CCC(=O)N[C@H]1CC(=O)N(C2Cc3ccccc3C2)C1 12432829 XDOWGFOTSDAMGB-KRWDZBQOSA-N 352.438 1.466 0 50 FDAA CC1=C(C(=O)N2CCC[C@@H](CCC(=O)N3CCOCC3)C2)OCCO1 14952532 WJDFDNYPPJDXPA-HNNXBMFYSA-N 352.431 1.142 0 50 FDAA Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N2CCN(C)CC2)c(C)c1 19810085 GKPOPFJLPJGDID-UHFFFAOYSA-N 353.488 1.006 0 50 FDAA CN(C)c1nc(O)c2c(n1)[C@]1(CCCN(c3ncccc3C(=O)O)C1)CC2 1857697547 COGJBYSRSLQPBZ-LJQANCHMSA-N 369.425 1.826 0 50 FDAA CN1CCN(c2ccc(C(=O)N3CCO[C@H]4C[C@H](CO)C[C@@H]43)cc2)CC1 1857698669 CMEPRFSULFSFSK-MNEFBYGVSA-N 359.470 1.050 0 50 FDAA COC(=O)c1cc2n(n1)CCN(C(=O)[C@H]1CC[C@H](c3ccccc3)N1)C2 1857712013 DDIZAQLPCQIUCO-HZPDHXFCSA-N 354.410 1.505 0 50 FDAA Cc1ccc(N2CCC(N[C@@H]3C[C@H]4CO[C@@H](CCO)CN4C3)CC2)cc1 1857725254 YQGCPMUFONNMGI-GIVPXCGWSA-N 359.514 1.778 0 50 FDAA COc1ccc(-n2ccnc2CN2CC[C@@]34OCCN3C(=O)C[C@@H]24)cc1 1857726124 FXEOJVKKHXOEAB-APWZRJJASA-N 354.410 1.414 0 50 FDAA CSCC(=O)N1C[C@@H]2[C@H](CNC(=O)Cc3ccccc3)[C@H]3CC[C@]2(C1)O3 1857736206 ZZVGXDSRAHAWLX-TVKQPGBESA-N 374.506 1.714 0 50 FDAA COC(=O)c1cc(OC)cc(C(=O)N2C[C@H](O)[C@H](Cc3ccncc3)C2)c1 1857739610 XKLIREMZRBYMHE-AEFFLSMTSA-N 370.405 1.552 0 50 FDAA CCOC(=O)N1CCN([C@@H]2CC(=O)N(c3ccccc3CC)C2=O)CC1 4393379 QGZVQCMYKDYSLH-MRXNPFEDSA-N 359.426 1.655 0 50 FDAA CC(=O)N[C@@H](CC(=O)N1CC[C@H](N)C1)c1ccc(Br)cc1 236688962 ZYZOBDJKAJEPTG-KBPBESRZSA-N 354.248 1.576 0 50 FDAA CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(C(=O)NC[C@@H]2CCO[C@H]2c2ccnn2C)[C@H]31 332917231 YTWRKNCDLDHKIL-CJPFOZNDSA-N 360.458 1.563 0 50 FDAA Cc1ccccc1[C@@H]1CN(C(=O)c2cn(C3CCNCC3)nn2)CCO1 237643165 JJJRYSZYUQQABQ-SFHVURJKSA-N 355.442 1.725 0 50 FDAA C/C(=C\c1ccccc1)CN1CCC[C@@H](n2cc(C(=O)NCCO)nn2)C1 11870026 ZKEDUAJHZNDTRI-FXFXYLOPSA-N 369.469 1.741 0 50 FDAA O=C(NC[C@H]1CCCN(c2cncc(Br)c2)C1)[C@@H]1CCCN1 262398376 CCRYQXHGHJNOGI-DOMZBBRYSA-N 367.291 1.929 0 50 FDAA Cc1ccc(NCc2c3c(nn2C)CCOC3)cc1C(=O)N1CCOCC1 922068180 MIVXMRLYQQKEKO-UHFFFAOYSA-N 370.453 1.886 0 50 FDAA CC1(C)CN(C(=O)C(=O)Nc2ccc(N3CCCCC3)c(F)c2)C[C@@H]1N 927852026 KBXZPTHVSPMCHY-INIZCTEOSA-N 362.449 1.950 0 50 FDAA Cc1ccc(Br)cc1S(=O)(=O)N(C)Cc1nnn(C)n1 330860902 RWGZGHAGRLBIIY-UHFFFAOYSA-N 360.237 1.102 0 50 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Cc1cc(C)nc(-n2cc(C(=O)N[C@@H]3CCN(C(N)=O)C3)c(C(C)C)n2)n1 332122804 AIPFKWGKRDGERS-CYBMUJFWSA-N 371.445 1.285 0 50 FDAA Cc1cc(C(=O)N2CCN3CCNC(=O)[C@H]3C2)c2ccc(Cl)cc2n1 65466107 CXVBIPXDSOHIJK-MRXNPFEDSA-N 358.829 1.453 0 50 FDAA CNC(=O)c1n[nH]c2c1[C@H](C1=Cc3cccc(OC)c3OC1)CC(=O)N2 65452701 JLRVMMAKPNAQMU-NSHDSACASA-N 354.366 1.680 0 50 FDAA COc1cc(C(=O)O)ccc1S(=O)(=O)N1CCO[C@H]2CCCC[C@H]21 325874893 KYNYYCDIFJLBLQ-OLZOCXBDSA-N 355.412 1.726 0 50 FDAA O=C(Nc1ccccc1CN1CCOCC1)c1ccc(-n2cnnn2)cc1 65653039 SWXLBXJOGKSOHY-UHFFFAOYSA-N 364.409 1.747 0 50 FDAA Cc1nnc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2C)s1 129856763 QTHXOXKEGIWBSF-UHFFFAOYSA-N 352.441 1.947 0 50 FDAA Cc1nc(=O)c(CC(=O)N2CCC([C@H](O)c3ccccn3)CC2)c(C)[nH]1 215507108 XBUFCZHCCKBIFU-SFHVURJKSA-N 356.426 1.296 0 50 FDAA CCn1ccnc1CN(C[C@H](C)CS(C)(=O)=O)[C@@H]1CC12CCNCC2 435690627 BMWVGHRMDNZOLI-JKSUJKDBSA-N 368.547 1.528 0 50 FDAA CN(C)c1ncc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)s1 72120720 OMSFMZIRKTZUEO-UHFFFAOYSA-N 366.512 1.716 0 50 FDAA Cc1nc(CNC(=O)Cn2nc(C)n(CCc3ccccc3)c2=O)cs1 77407722 YFWIPFVJSSVWON-UHFFFAOYSA-N 371.466 1.677 0 50 FDAA Cn1cc(C[C@@H]2CCN(CC(=O)N3CC(=O)Nc4ccccc43)C2)cn1 370011940 RGJLNAUFLUEYIS-AWEZNQCLSA-N 353.426 1.270 0 50 FDAA CN1C(=O)[C@H]2CN(C(=O)c3c[nH]cc3-c3ccc(F)cc3)CCN2C1=O 371171243 UIHMIEMFPYNVRS-OAHLLOKOSA-N 356.357 1.539 0 50 FDAA Cc1cc(N2CCN(c3nc(C(C)C)nc4c3cnn4C)CC2)nc(N)n1 72137039 RRVBIKHIOMNQEU-UHFFFAOYSA-N 367.461 1.494 0 50 FDAA O=C(O)[C@@H]1CN(C(=O)COc2ccccc2OCC(F)(F)F)CCO1 262132731 QWVHYCNVTRNYKE-LBPRGKRZSA-N 363.288 1.319 0 50 FDAA c1ccc(OCCN2CCOCC2)c(CN2CCC(c3ncn[nH]3)CC2)c1 216433951 ZBJRFEXKBNVUER-UHFFFAOYSA-N 371.485 1.895 0 50 FDAA CC(=O)c1c(C)nn(CCC(=O)N2CCC[C@](O)(CN(C)C)C2)c1C 72167686 RWHLZWDVBQNYRB-SFHVURJKSA-N 350.463 1.008 0 50 FDAA O=C(NCCCO)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71416207 PMZMFLOLTVUDKH-SFHVURJKSA-N 360.502 1.257 0 50 FDAA Cn1ncc(N2CCC(CNC(=O)[C@@H]3CCOC(C)(C)C3)CC2)cc1=O 77485296 SAWVISFOZCSWPW-OAHLLOKOSA-N 362.474 1.318 0 50 FDAA COc1ccc(-c2ccc(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3NC(C)=O)o2)cc1 218817781 TXKNRFFQXTYVNF-ZWQIFLOQSA-N 370.405 1.977 0 50 FDAA CC(C)[C@H]1CN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C)CCO1 241961374 URWKUAKICJPTBM-OAHLLOKOSA-N 368.441 1.590 0 50 FDAA CCc1nc2c(c(N3CCOCC3)n1)CCN(C(=O)N1CCCC1)CC2 72431126 ZIVFCSZJUDDGPJ-UHFFFAOYSA-N 359.474 1.492 0 50 FDAA O=C(c1nn(-c2ccc(F)cc2)cc1O)N1CC[C@H](CN2CCOCC2)C1 176307105 ZWHRELSREMPUJJ-CQSZACIVSA-N 374.416 1.511 0 50 FDAA CC(C)c1nccn1CCCNC(=O)Cn1cnc2ccsc2c1=O 223491685 YGZNBLZEKKYGGV-UHFFFAOYSA-N 359.455 1.984 0 50 FDAA Nc1nnc(SCC(=O)NCCc2nc(-c3ccccc3)n[nH]2)s1 222466677 BVOBMANKUJJGNG-UHFFFAOYSA-N 361.456 1.356 0 50 FDAA Cc1nc(CSc2nnc(C3CCNCC3)n2C[C@H]2CCCO2)no1 426624720 DIMHQPJHRMAKLG-CYBMUJFWSA-N 364.475 1.908 0 50 FDAA O=C(c1n[nH]c2c1CCC2)N1CCC2(CC1)Nc1ccccc1NC2=O 82156672 FBTVUMJNWYEJCM-UHFFFAOYSA-N 351.410 1.937 0 50 FDAA CN(C)Cc1nnc(C2CCN(c3ncccc3C(N)=O)CC2)n1C1CC1 82107070 RWMPSTZCNLGGCX-UHFFFAOYSA-N 369.473 1.553 0 50 FDAA Cc1nn(C)c(C)c1CN(C(=O)NCCCN1CCC[C@H](O)C1)C1CC1 426593562 FDGFQOVRPOJLNS-KRWDZBQOSA-N 363.506 1.558 0 50 FDAA Cn1cc(CCNC(=O)N2CCN(Cc3cc(F)cc(F)c3)CC2)cn1 426497369 RZNFEZYLCKFUJN-UHFFFAOYSA-N 363.412 1.768 0 50 FDAA NC(=O)[C@H]1CCCN(CCCNC(=O)N2CCOc3ccccc3C2)C1 426404369 SINDZDFXRPXKFW-INIZCTEOSA-N 360.458 1.178 0 50 FDAA Cn1cc(SCC(=O)N2CC[C@]3(CC(=O)NC3=O)C2)c2ccccc21 82106428 QXLOCINBEWHLON-SFHVURJKSA-N 357.435 1.536 0 50 FDAA Cc1ncncc1C(=O)N1CCC[C@H](c2nnc(Cn3cccn3)n2C)C1 92065615 JZQVZZWUTKIVJC-AWEZNQCLSA-N 366.429 1.178 0 50 FDAA Cc1nc(C)c(CC(=O)N2CCC[C@H](c3nccn3CC(N)=O)C2)s1 95519985 MUYRCRAOWYYFJR-ZDUSSCGKSA-N 361.471 1.390 0 50 FDAA Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1cccc(-n2cccn2)c1 97301392 BRAOWLYYUYYVST-UHFFFAOYSA-N 370.434 1.758 0 50 FDAA O=C(NC1CC1)c1cccc(S(=O)(=O)N[C@H](CO)Cc2ccccc2)c1 95378070 CPZRZKXZMQJJSS-KRWDZBQOSA-N 374.462 1.461 0 50 FDAA Cc1nnnn1CC(=O)N1C[C@@H]2C[C@@H](c3ccccc3)CC[C@]2(C(=O)O)C1 426465085 DPTXNVZURYXPFR-BXWFABGCSA-N 369.425 1.479 0 50 FDAA 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1.299 0 50 FDAA Cc1nnc2n1CC[C@@]2(C)C(=O)N1CCC(C(=O)Nc2nccs2)CC1 2325789772 LSCDNAQEROXUHR-QGZVFWFLSA-N 374.470 1.582 0 50 FDAA N[C@@]12CCOC[C@@H]1CN(Cc1cnc3ccc(Br)cn13)C2 2325809840 SABFCBGPWLBHEZ-XHDPSFHLSA-N 351.248 1.646 0 50 FDAA C[C@@H]1[C@H](O)CCCN1C(=O)c1c[nH]nc1-c1cccc(-c2nn[nH]n2)c1 2325825998 LCYCPKURVLIKAY-QMTHXVAHSA-N 353.386 1.242 0 50 FDAA O=C(O)c1cn([C@@H]2CCCC[C@@H]2NS(=O)(=O)Cc2ccccc2)nn1 2325875072 FNWXZEHZMZWKBE-DZGCQCFKSA-N 364.427 1.580 0 50 FDAA C=CC(=O)N1CCC(C(=O)N2CCc3c(F)ccc(C(=O)OC)c3C2)CC1 2325884804 PACXSCCJNSRYDC-UHFFFAOYSA-N 374.412 1.922 0 50 FDAA COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCCC2)cc1OC 802490 LXACYNXNHKNIJP-UHFFFAOYSA-N 356.444 1.337 0 50 FDAA COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(F)cc1 951749 RUHUYWALKZZJJH-ZDUSSCGKSA-N 359.357 1.228 0 50 FDAA CCc1nc(CN2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)n[nH]1 2356164001 AFMUFYFFAYIQLQ-DOXZYTNZSA-N 361.490 1.628 0 50 FDAA COc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2N)cc1 4585947 AACDBJGJUSNEHN-UHFFFAOYSA-N 356.411 1.793 0 50 FDAA NS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)o1 114694719 ZDZLXWPIQMNODQ-AWEZNQCLSA-N 363.439 1.321 0 50 FDAA COC(=O)c1cc2oc3ccccc3c2n1C[C@H](O)CN1CCOCC1 25762200 SKKCDYHHWGQHQN-CYBMUJFWSA-N 358.394 1.867 0 50 FDAA Cc1cc(C)n(-c2ccc(=O)n(CC(=O)NC[C@H]3C[C@H]4C=C[C@H]3C4)n2)n1 101664927 GEQSWXYVEMWUJG-HRCADAONSA-N 353.426 1.374 0 50 FDAA COC(=O)c1ccccc1C(=O)N1CCNC(=O)[C@@H]1Cc1ccccc1 20542888 HHOKVVHANXTPNZ-KRWDZBQOSA-N 352.390 1.657 0 50 FDAA COc1c(C)cnc(CN(C)c2nc(N(C)C)nc3c2CCNC3)c1C 67688843 IOLPLAADGJRWEV-UHFFFAOYSA-N 356.474 1.845 0 50 FDAA COCCC(=O)N[C@H]1C[C@@H](C(=O)NC2C3CC4CC(C3)CC2C4)N(C)C1 67973547 DLUDBEYDSYRGMF-KVGIZGHVSA-N 363.502 1.153 0 50 FDAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)NC(=O)NCC(F)(F)F 249742774 YKUSMODVZMZHNY-MXWKQRLJSA-N 365.352 1.181 0 50 FDAA CC(C)(C)c1ncc2c(n1)CN(C(=O)c1ccc(Cn3cnnn3)cc1)C2 67726363 ULTMKIKJRHFUOM-UHFFFAOYSA-N 363.425 1.965 0 50 FDAA CN(CCc1cn[nH]c1)C(=O)[C@H]1C[C@@H](C(=O)O)N(C)[C@H]1c1ccccc1F 67654545 NSOCNRSBWHTCOM-XIRDDKMYSA-N 374.416 1.696 0 50 FDAA CC[C@H]1CN(C(=O)c2cc(COc3ccc4c(c3)OCO4)[nH]n2)CCN1 67740900 BIZUEQDGMJERSR-LBPRGKRZSA-N 358.398 1.541 0 50 FDAA COc1ccc2[nH]nc(C(=O)NCc3c(C)ncc4c3CCNC4)c2c1 72152468 ZJRQSZFDKKRFMX-UHFFFAOYSA-N 351.410 1.851 0 50 FDAA O=C(NC[C@H]1COc2ccccc2O1)c1cc(CN2CCC(O)CC2)on1 67691071 LBVQYHKUQPAHPX-HNNXBMFYSA-N 373.409 1.201 0 50 FDAA CC(=O)N1CCc2c(nc(N(C)C)nc2N(C)CCCn2cccn2)C1 71759225 FMYALBIJOQTUQE-UHFFFAOYSA-N 357.462 1.170 0 50 FDAA CCCCC(=O)N1CCC[C@@H](c2nnc(CN3CCC(O)CC3)n2C)C1 72408664 KFQCIQANLKWCNS-OAHLLOKOSA-N 363.506 1.668 0 50 FDAA CN1CCO[C@@H](CNCc2ncc(I)s2)C1 253393507 DTPKRNVVLQBLKC-QMMMGPOBSA-N 353.229 1.168 0 50 FDAA COc1cccc(C(=O)NCC(=O)NC[C@H]2OCCc3ccccc32)c1 363129770 LMXXSRXFEIJKDP-GOSISDBHSA-N 354.406 1.855 0 50 FDAA O=C(O)c1cc(-n2ccnn2)cc(S(=O)(=O)N2CCCCCC2)c1 71404028 XYQIEFAKYNPTPE-UHFFFAOYSA-N 350.400 1.530 0 50 FDAA Cc1cc(-c2cn3cc(C(=O)N(C)[C@@H](C)CCO)nc3c(=O)n2C)c(C)o1 72426818 WFKPKVDJZDHZKR-NSHDSACASA-N 372.425 1.753 0 50 FDAA CN(C)c1nccc([C@H]2CN(C(=O)c3cccc4nccn34)CCO2)n1 328619606 GCDMYMFWAGYZTM-OAHLLOKOSA-N 352.398 1.404 0 50 FDAA CO[C@H]1CN(Cc2cc(-c3cncnc3)ccc2OCC(=O)O)CC[C@H]1N 71774598 HWETZGKFYCZSAQ-AEFFLSMTSA-N 372.425 1.155 0 50 FDAA Cn1c(=O)c2nc(CN3CCC[C@@H]3/C=C/c3cccs3)[nH]c2n(C)c1=O 375179036 VWJLCVJXPDANTH-ABZNLYFFSA-N 371.466 1.700 0 50 FDAA O=C(CN1CC[C@@H](c2ccccc2)C1)N1CCN(C(=O)c2ccc[nH]2)CC1 219817555 PBBZDOLJQCHPIK-GOSISDBHSA-N 366.465 1.789 0 50 FDAA COc1ccc(Cc2ncc(S(C)(=O)=O)c([C@H]3CCCNC3)n2)cc1 71707904 PSSOHPGUNMJIRT-AWEZNQCLSA-N 361.467 1.947 0 50 FDAA CCn1c(C)cc(C(=O)N2CCC3(CC2)CN(CC(=O)O)C(=O)O3)c1C 77566235 LKUDADQOVGVFIJ-UHFFFAOYSA-N 363.414 1.636 0 50 FDAA CSc1nc(C(=O)N2CCOC[C@](O)(CN3CCCC3)C2)cs1 77486617 IAUJSPNUVVTWDG-HNNXBMFYSA-N 357.501 1.164 0 50 FDAA Cc1ccc(CN2CCN(C(=O)[C@@H]3CCCN3C(N)=O)CC2=O)cc1C 72473147 SVANNDCINGQAQM-INIZCTEOSA-N 358.442 1.017 0 50 FDAA CC(C)(CNC(=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)NC(=O)OC(C)(C)C 239667883 BRUIYPKIYKMBQO-MEKARPQXSA-N 360.454 1.733 0 50 FDAA O=C(Nc1nccn1Cc1ccc(Br)cc1)[C@@H]1COCCN1 236712041 BNXNTLOSDRSRHX-ZDUSSCGKSA-N 365.231 1.621 0 50 FDAA Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)c2cc3c([nH]c2=O)CCCC3)C1 77422115 RIRINHSOVIEFMJ-CQSZACIVSA-N 368.437 1.722 0 50 FDAA CC(=O)N1CCC[C@](O)(C(=O)NCc2cc(Cl)cc3c2OCC3)C1 284844572 DGNVEAAAXLCBOJ-QGZVFWFLSA-N 352.818 1.265 0 50 FDAA O=C(O)c1ccnc(-c2ccnc(NCc3nnnn3-c3ccccc3)n2)c1 72432999 LOHBTKAGRZXDMB-UHFFFAOYSA-N 374.364 1.825 0 50 FDAA O=C(C[C@H]1C=CS(=O)(=O)C1)N1CCN(CCOc2ccccc2)CC1 82137530 FKEPYVRRBLHXJA-MRXNPFEDSA-N 364.467 1.158 0 50 FDAA CC(C)[C@@H](C(=O)Nc1ccc2oc(=O)[nH]c2c1)N1CCCS1(=O)=O 131688009 FKFQSYPKCMOMPB-ZDUSSCGKSA-N 353.400 1.120 0 50 FDAA O=C(NCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1ccccc1 225410324 QJVCMAQKERMFRA-ZBFHGGJFSA-N 351.406 1.224 0 50 FDAA biogenic COc1ccc(-c2ccc(=O)n(CC(=O)N3CCC[C@@H](C(=O)O)C3)n2)cc1 49549606 UWQNHUJAAUKHFP-CQSZACIVSA-N 371.393 1.242 0 50 FDAA Cn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)C2=Cc3ccccc3OC=C2)C1 222245306 VBVDJIPNHFNODH-SHTZXODSSA-N 352.394 1.659 0 50 FDAA CSc1ccc(CN2CC[C@@]3(O)CCN(S(C)(=O)=O)C[C@H]3C2)cc1 91643803 PQKKZIHOJUUMFA-NVXWUHKLSA-N 370.540 1.627 0 50 FDAA Cc1nccnc1CN1CCC2(CC1)CCN(Cc1ncc[nH]1)C[C@H]2CO 97570940 LVGJQZVRTJJSLE-KRWDZBQOSA-N 370.501 1.605 0 50 FDAA Cc1nn(C)c(C)c1C(=O)N1CCC2(CCC(=O)N(CCCO)C2)CC1 91724932 CWWFXJAZSMKOPC-UHFFFAOYSA-N 362.474 1.264 0 50 FDAA O=C(Cn1nccc1[C@H]1CCCNC1)N1CCN(Cc2ccccn2)CC1 426727341 FSFZCEZZKLKWPI-KRWDZBQOSA-N 368.485 1.090 0 50 FDAA CS(=O)(=O)N1CCC(NC(=O)c2ccc([C@@H]3CCCO3)s2)CC1 91365263 CGJFIVIEZCVENG-LBPRGKRZSA-N 358.485 1.753 0 50 FDAA C[C@H]1CN(C[C@@H]2CN(C(=O)CCc3cccs3)C[C@@H]2CO)C[C@@H](C)O1 91664504 JICQSRHYYDKIST-YYIAUSFCSA-N 366.527 1.857 0 50 FDAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1nc3ccsc3c(=O)[nH]1)C2 95529827 WMCLQMDEYWKJRD-NWDGAFQWSA-N 362.455 1.054 0 50 FDAA CCN(C)Cc1ccc(OC)c(OC[C@@H](O)CN2CCN(C)CC2)c1 22853511 NTXZCIQKPUWLTE-KRWDZBQOSA-N 351.491 1.134 0 50 FDAA CCc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2cnccn2)C3)ccn1 91645483 PZZKFCPMHBNJHH-WMLDXEAASA-N 365.437 1.811 0 50 FDAA CCn1nnc(-c2cccc(NC(=O)NCCCn3nc(C)nc3C)c2)n1 95521505 QUWQAMOAMHMKSC-UHFFFAOYSA-N 369.433 1.780 0 50 FDAA CCCNS(=O)(=O)c1ccc(NC(=O)NCC2CCOCC2)cc1 96179769 SHYSYZDHWVSJFB-UHFFFAOYSA-N 355.460 1.923 0 50 FDAA Cc1cc2cc(NC(=O)N3CCN(S(=O)(=O)N(C)C)CC3)ccc2o1 96142049 MRVJQZDVQJOTQC-UHFFFAOYSA-N 366.443 1.697 0 50 FDAA Cc1cc(C)n(Cc2nc(COc3ccc(F)cc3)nn2CC(=O)O)n1 97805563 YCDQVEDNUQNDQS-UHFFFAOYSA-N 359.361 1.942 0 50 FDAA CCN1CCN(CC(=O)N2CCC[C@@H](c3ccccc3C)C2)C(=O)C1=O 95506726 IMCWKHZFPOWLJI-MRXNPFEDSA-N 357.454 1.392 0 50 FDAA CC(C)[C@H]1CN(c2ccncc2F)C[C@@H]1NC(=O)CCS(C)(=O)=O 91859481 QUKCNEPVBCGCMY-OCCSQVGLSA-N 357.451 1.232 0 50 FDAA CC(=O)c1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3=O)c(=O)[nH]c1C 91321080 HTFOPWYCCOGLLJ-LSDHHAIUSA-N 371.437 1.359 0 50 FDAA CSCc1noc(CNC(=O)[C@H]2CCC(=O)N(C3CCCC3)C2)n1 92021497 ASBCEKHTSPPOKN-NSHDSACASA-N 352.460 1.730 0 50 FDAA O=C1C[C@H](C(=O)N2CCC(Cn3cccn3)CC2)CN1Cc1cccnc1 95373278 WUUDXEXDQJIKPY-SFHVURJKSA-N 367.453 1.565 0 50 FDAA O=C(COCC(F)(F)C(F)F)N1CCN(C(=O)c2ccc[nH]2)CC1 244787765 QDHHJAKJLSYQNO-UHFFFAOYSA-N 351.300 1.216 0 50 FDAA Cn1cc([C@@H](NC(=O)c2cc(=O)c3ccccc3o2)[C@H]2C[C@H](O)C2)cn1 244574976 CUOWHEHMADSZCC-FNFWKMNBSA-N 353.378 1.769 0 50 FDAA COc1cncc([C@H](NC(=O)CCC2=NNC(=O)CC2)[C@H]2C[C@H](O)C2)c1 244718691 LPAPXXAJEOEAQM-YRILPIOLSA-N 360.414 1.065 0 50 FDAA NC(=O)C[C@H](c1cccnc1)c1oc(CN2CCCCC2)cc(=O)c1O 253412539 RHHIYFHCDOYDGP-OAHLLOKOSA-N 357.410 1.734 0 50 FDAA biogenic COCCn1nnnc1[C@@H]1CN(C(=O)CC2Cc3ccccc3C2)CCO1 252507791 WTYNSZAABMHUPA-KRWDZBQOSA-N 371.441 1.025 0 50 FDAA COC[C@H](NC(=O)c1cccc(-c2ccc(=O)n(C)n2)c1)c1ccnn1C 534647295 DXBWQEFRFZMHRX-INIZCTEOSA-N 367.409 1.298 0 50 FDAA CC(=O)N1CCC[C@H](CNC(=O)N2CCN(c3cccc(O)c3)CC2)C1 279816616 PCSQLVADRFJQIP-MRXNPFEDSA-N 360.458 1.482 0 50 FDAA Cc1cc(C(=O)N[C@@H]2CCN(Cc3ccnc(C(C)C)n3)C[C@H]2O)no1 299768820 ZJEHPPZQDWIKLN-GDBMZVCRSA-N 359.430 1.262 0 50 FDAA NC[C@H](O)C(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67679073 SUOLDUWTHMEKSS-INIZCTEOSA-N 362.813 1.753 0 50 FDAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(C(=O)c1ccc3nccnc3c1)CC2 299796490 OIEUFQQQGHVEQB-ZDUSSCGKSA-N 368.393 1.168 0 50 FDAA O=C(COC[C@@H]1CCCO1)NCCn1nc(-c2ccccc2)ccc1=O 299758485 NVCFZPSFJMSIJB-INIZCTEOSA-N 357.410 1.222 0 50 FDAA Cc1ccc(-c2noc(CN3CCC4(CC3)N=C(N(C)C)NC4=O)n2)cc1 299798462 SKMMPLMGTZPCCS-UHFFFAOYSA-N 368.441 1.427 0 50 FDAA CCOC(=O)[C@@H]1C(=O)C(F)(F)CN(Cc2ccccc2)[C@H]1C(=O)OCC 390822722 HXPWCBUJDZSZNB-UONOGXRCSA-N 369.364 1.818 0 50 FDAA C[C@@H](C(=O)NCc1noc(C2CC2)n1)N(c1ccccc1)S(C)(=O)=O 827631654 MFAAESIFVZZMEG-NSHDSACASA-N 364.427 1.418 0 50 FDAA O=C(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1cncc(O)c1 828930864 ZDYRAEAXSUSGIZ-IPFXWSOASA-N 364.449 1.085 0 50 FDAA NC[C@]1(c2ccccc2)C[C@@H](NC(=O)[C@H](N)Cc2ccc(O)c(F)c2)C1 1875340932 ZRWFSWGRGFKSNP-MDYRTPRTSA-N 357.429 1.576 0 50 FDAA CCOc1ccc(N2C[C@H](C(=O)NCC/C=C/C(=O)OC)CC2=O)cc1 1875311718 KWDRTALOHLCZMD-YVARQFDVSA-N 360.410 1.674 0 50 FDAA COC[C@H](C)CC(=O)NCC1(Cn2cc(-c3ccc(=N)[nH]c3)nn2)CC1 1875358583 BATYIJBMELKRLH-CYBMUJFWSA-N 358.446 1.322 0 50 FDAA CNC(=O)C[C@@H]1CN(C(=O)NCc2cc(C3CC3)ccc2OC)C[C@H]1O 1875400780 LZACQNNIJRELKX-HZPDHXFCSA-N 361.442 1.211 0 50 FDAA Cc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)CN3C(=O)[C@@H]2CCCN2C2CC2)o1 1875407436 ZUTAEQSJTXHVHM-PVAVHDDUSA-N 357.454 1.888 0 50 FDAA COc1ccc2c(c1Br)CCCN2C(=O)C[C@@H]1CNC[C@H]1O 1875401206 TYASUIIDUSNIRW-ZWNOBZJWSA-N 369.259 1.707 0 50 FDAA Cn1c(O)nnc1[C@H]1[C@@H](C2CC2)CCN1C(=O)Cn1cnc2c1CCCC2 1875401138 GPEPJPDGNSSFAH-CXAGYDPISA-N 370.457 1.596 0 50 FDAA CCn1nncc1C(=O)N[C@@H]1CC[C@H]2C[C@H]1CN2C(=O)C[C@@H]1CC1(C)C 1875407721 GOZKVXBUMYKJFO-LJISPDSOSA-N 359.474 1.844 0 50 FDAA CCCCN1C(=O)CC[C@@H](C(=O)NCC(=O)O)[C@H]1c1ccccc1OC 268945375 ONTIKMYCNDDARB-RDTXWAMCSA-N 362.426 1.976 0 50 FDAA Cc1nc(CCNC(=O)c2nc(N)nc3c2CCCC3)nc2c1CCC2 952963305 JSHNIIRVAJHINC-UHFFFAOYSA-N 352.442 1.497 0 50 FDAA O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cnc(Oc2ccccc2)cn1 887006947 ZRGJKHIBKNUOFR-HZPDHXFCSA-N 355.394 1.929 0 50 FDAA NC[C@@H]1Cc2cc(F)ccc2N(C(=O)[C@H]2CO[C@@H](CCC(=O)O)C2)C1 1334887403 WDEBWPLHXALCBL-LNSITVRQSA-N 350.390 1.560 0 50 FDAA COc1cc2nc(N3CCS(=O)(=O)C[C@H](C)C3)nc(N)c2cc1OC 277445615 JOVIFGUNDLSEKC-SNVBAGLBSA-N 366.443 1.100 0 50 FDAA CC(C)c1nnc2ccc(NC(=O)[C@H]3COCCN3CC(F)F)cn12 189071299 GMCIDLDNTITFHS-GFCCVEGCSA-N 353.373 1.757 0 50 FDAA C[C@H](O)CN1CCN(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)CC1 189385878 QTSMUEKFTDILIP-HNNXBMFYSA-N 358.461 1.999 0 50 FDAA COc1cc(C)c(C)cc1S(=O)(=O)N1C[C@H](O)[C@@H](N2CCCC2)C1 1506408333 DMKVZRUOHMFMAU-GJZGRUSLSA-N 354.472 1.142 0 50 FDAA O=C(O)/C=C/C(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 459118 AVBWKEVDRFKJCY-BQYQJAHWSA-N 350.352 1.337 0 50 FDAA Cc1ccc(Cl)c(C(=O)N2C[C@H]3COC[C@@H]2CN(CC(=O)O)C3)c1 1704304222 BJICOIIFVUKKTF-STQMWFEESA-N 352.818 1.506 0 50 FDAA COc1ccc(CN2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)c(OC)c1OC 1704307896 LWECVKFGKYKRLI-CALCHBBNSA-N 351.355 1.074 0 50 FDAA NCCN1C(=O)CC[C@@H]2CN(Cc3nc(-c4ccccc4)no3)CC[C@@H]21 215127662 VZHNPGGBFRCWMT-CVEARBPZSA-N 355.442 1.508 0 50 FDAA CCN(CC)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2C#N)C[C@@H]1O 216938832 BAGWUQCSRORTSG-WBVHZDCISA-N 358.442 1.433 0 50 FDAA CCN1CCC(C(=O)N[C@H]2CC(=O)N(C3Cc4ccccc4C3)C2)CC1 11814125 JXVSMUNFVIEMKF-SFHVURJKSA-N 355.482 1.603 0 50 FDAA CCN1C[C@H](CN(C)C(=O)c2cn(Cc3ccccc3C)nn2)CC1=O 12049349 IMBXCJLHHSFKBF-HNNXBMFYSA-N 355.442 1.575 0 50 FDAA O=C(NCc1cc(C2CC2)[nH]n1)[C@@H]1CCC(=O)N(CCc2ccccn2)C1 12430204 YUOQMPMZDOJXBX-OAHLLOKOSA-N 367.453 1.780 0 50 FDAA CN(CCc1ccccn1)[C@@H]1CCN(Cc2cccc3c2OCO3)C[C@H]1O 12432315 LMSOIIMBBWIOTH-RTBURBONSA-N 369.465 1.920 0 50 FDAA CC(=O)NC[C@H]1CCCN(c2nc3nonc3nc2N2CCCCCC2)C1 12437393 HGLBWTIHTZRVRX-CQSZACIVSA-N 373.461 1.746 0 50 FDAA O=C(c1ccc2c(c1)OCO2)N1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857714644 FSIPBAUETUQEAT-OBZYLPMUSA-N 367.401 1.624 0 50 FDAA O=S(=O)(CCn1ccnc1-c1cc2ccccc2o1)N1CCOCC1 1857730859 AFQBOTUKPZZSNO-UHFFFAOYSA-N 361.423 1.958 0 50 FDAA COC(=O)c1cnc(N2CCC3(CCc4c(O)nc(C)nc43)CC2)cn1 1857734019 ACECQNKDPBOHFT-UHFFFAOYSA-N 355.398 1.552 0 50 FDAA COc1cc(CCC(=O)N[C@@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)ccc1O 1857734981 AYWVRMQQOAGPRB-JTDSTZFVSA-N 360.454 1.701 0 50 FDAA CCCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3cnn(CC)c3C)[C@H]3CC[C@]2(C1)O3 1857737571 SVTQLHVQLHFJRP-TVKQPGBESA-N 374.485 1.747 0 50 FDAA O=C(NCc1cccc(F)c1)N1CC[C@H](O)[C@](CC2CC2)(C(=O)O)C1 1875247761 RFNMWNVOQWLKIR-MAUKXSAKSA-N 350.390 1.973 0 50 FDAA CCC[C@H]1CN(Cc2cc(-c3ccccn3)no2)C[C@@H]1NS(C)(=O)=O 216939510 IDQGFPZSGMWPPN-GUYCJALGSA-N 364.471 1.886 0 50 FDAA COc1ccccc1[C@H](CNC(=O)C1(C(=O)N(C)C)CC1)N1CCCC1 225702169 NGBNTVQAKOYAOP-INIZCTEOSA-N 359.470 1.817 0 50 FDAA CN(Cc1nccc(N)n1)[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)CC1 328650671 VRDNEACDYDENJW-CYBMUJFWSA-N 369.473 1.397 0 50 FDAA O=C([C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CC[C@H](N2CCC2)C1 828244763 UXDOOGMLEUYJNE-HOCLYGCPSA-N 371.437 1.117 0 50 FDAA Cc1sc2nc(CN3CCOCC3)nc(N3CCCNCC3)c2c1C 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355.402 1.398 0 50 FDAA CN1CC[C@H](NC(=O)NCC(=O)NCC2CC2)[C@@H]1c1ccc(F)c(F)c1 181647908 VWLSIWHBLZULJQ-RDJZCZTQSA-N 366.412 1.535 0 50 FDAA CC(C)c1noc(CN(C)CC(=O)Nc2nnc([C@@H]3CCCO3)s2)n1 244778649 PUHMWXLZMKEHSG-JTQLQIEISA-N 366.447 1.967 0 50 FDAA Cn1c(O)nc(=O)c2[nH]c(CCC(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)nc21 299354219 AOUGCXSNUUFUOH-WYRIXSBYSA-N 373.457 1.722 0 50 FDAA CNC(=O)c1[nH]nc2c1CN(Cc1noc(-c3ccc(C)cc3)n1)CC2 252499230 RXOOHPJEQKZRLL-UHFFFAOYSA-N 352.398 1.686 0 50 FDAA Cc1nn(C)c(C)c1CN(C(=O)NCC[C@H](C)N1CCOCC1)C1CC1 534589493 IHEASAIYTUKUAR-AWEZNQCLSA-N 363.506 1.822 0 50 FDAA CCCn1cnnc1[C@@H](C)NC(=O)N1CCCN(C(=O)c2ccco2)CC1 534586331 CHKZHWQSIXYJOJ-CQSZACIVSA-N 374.445 1.900 0 50 FDAA O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc(F)cc(Cl)c1 268072055 ASCQZEHRYLRTHS-HNNXBMFYSA-N 369.824 1.142 0 50 FDAA CC(C)(CO)NC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl 55183405 AGDXYEYEAYHIJK-AWEZNQCLSA-N 371.840 1.057 0 50 FDAA CCc1nccn1CCC(=O)NC[C@@H](c1ccc(C)o1)N1CCOCC1 299790378 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367.467 1.930 0 50 FDAA CCCNS(=O)(=O)c1ccc(C(=O)NCc2[nH]nc3ncccc23)cc1 1772811581 ZMPQMNMBAKERFS-UHFFFAOYSA-N 373.438 1.576 0 50 FDAA O=C1CC[C@@H](C(=O)N2CCCN(Cc3ccncc3Cl)CC2)CN1 1775979836 NNEBLCQZTKGIJF-CYBMUJFWSA-N 350.850 1.296 0 50 FDAA O=C1N(Cc2cccc(F)c2F)CCC[C@@]1(O)CN1CCSCC1 12027670 VVSUSMHSNBKMDD-QGZVFWFLSA-N 356.438 1.867 0 50 FDAA Cc1c(C(=O)NCc2ccncn2)cnn1-c1nccc(-c2cccnc2)n1 12453736 DQEDBDSTMSBQRV-UHFFFAOYSA-N 372.392 1.753 0 50 FDAA O=C(NCCc1ccccc1)[C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1 12575936 JSYNBVFEOPMKSK-GOSISDBHSA-N 371.481 1.596 0 50 FDAA CC[C@]12COC(=O)N1CCN(C(=O)CCn1cnc3ccccc3c1=O)C2 1857680916 RBNNYYQRQFUVOB-IBGZPJMESA-N 370.409 1.230 0 50 FDAA O=C(c1cnc2cccnn12)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1857722581 YXUDLWLTNDBCBX-DNVCBOLYSA-N 373.416 1.953 0 50 FDAA CC(C)n1cnnc1CN(C)C[C@]1(O)CCCN(c2nccs2)C1 1857733057 STOFCDMDJPGESF-MRXNPFEDSA-N 350.492 1.779 0 50 FDAA CC1=C(C(=O)NCC2(c3ccc(Cl)cc3)CC2)Cn2nnnc2N1C 241173057 KFRNESSPOKVXKW-UHFFFAOYSA-N 358.833 1.898 0 50 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Cc1nc(CNC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)no1 534592067 MMCSIOFKOPJYKG-CQSZACIVSA-N 364.427 1.277 0 50 FDAA Nc1nc(-c2ccc(C(=O)NCC3CCOCC3)cc2)cc(=NC2CC2)[nH]1 534653245 JJRSKRGAEPWUAA-UHFFFAOYSA-N 367.453 1.878 0 50 FDAA CO[C@@]12CC[C@@H](NC(=O)c3cnccn3)C[C@@H]1N(Cc1cc(C)no1)CC2 534590180 QGRCPGPTPBQYTA-DKSSEZFCSA-N 371.441 1.715 0 50 FDAA CCN(C(=O)NCc1c[nH]nc1-c1cccs1)[C@H]1CCS(=O)(=O)C1 534673000 CGNBMVSURMGTGP-LBPRGKRZSA-N 368.484 1.857 0 50 FDAA C[C@H]1N(C(=O)c2cccc(-n3cnnc3)n2)CCC[C@@]12CCCN(C)C2=O 1940198304 CSTCBUHTMUVJRJ-KUHUBIRLSA-N 368.441 1.525 0 50 FDAA CCn1nc(C)c(CN2CC[C@@H](NC(=O)c3cc(C)on3)[C@H](O)C2)c1C 299768516 OAOWJHXFZCSEGY-NVXWUHKLSA-N 361.446 1.181 0 50 FDAA O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1nnc(O)c2ccccc12 733159736 IVCIXNYZJPHKMU-CQSZACIVSA-N 356.426 1.709 0 50 FDAA O=C1CC[C@@H](N2Cc3c(cccc3-c3cncc4[nH]ccc34)C2=O)C(=O)N1 1875355620 BCXZIUDZDUPRND-QGZVFWFLSA-N 360.373 1.991 0 50 FDAA C[C@H](C(=O)N(C)CCCNC(=O)c1cc2nc[nH]c2cn1)[C@@H]1CCCO1 1875358120 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Cc1cccnc1CN1CCN(C(=O)c2cc(C(C)C)nc(N)n2)CC1 952968600 CMGVJAVOPGZQIU-UHFFFAOYSA-N 354.458 1.844 0 50 FDAA NC(=O)CN1CCC[C@@H](C(=O)N2CCC[C@H](COc3ccccc3)C2)C1 952963651 LKWVWRWWZUPHDU-DLBZAZTESA-N 359.470 1.501 0 50 FDAA Cc1noc(C2(NC(=O)Nc3cnc4c(c3)COCC4)CCOCC2)n1 888100318 SOBHCXLAPCFXBP-UHFFFAOYSA-N 359.386 1.673 0 50 FDAA O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1cccnc1O 1565528789 KZDMCRGWGNGTBH-KGLIPLIRSA-N 352.394 1.559 0 50 FDAA NC(=O)c1ccc(O[C@H]2COCC[C@@H]2NC(=O)Cc2ccccc2)cc1 1565512426 AHHPTXNYFDRLKE-ROUUACIJSA-N 354.406 1.681 0 50 FDAA CCc1nccn1CC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccccn1)C2 1565510412 ZCSRVNDHTWLSLZ-AEFFLSMTSA-N 353.470 1.964 0 50 FDAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2oc(C)nc2C)CN1CC1CCCC1 95368988 YJRQFKKRPIUEGK-CVEARBPZSA-N 362.474 1.790 0 50 FDAA Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N[C@@H]3CCN(C)C(=O)C3)n2)n1 194205884 LFHDNYSMMCJNGM-GFCCVEGCSA-N 361.833 1.888 0 50 FDAA CN(C(=O)CCCc1nc(-c2ccco2)no1)[C@@]1(C)CCS(=O)(=O)C1 1506403599 QFVSBRPAGJZVHO-INIZCTEOSA-N 367.427 1.688 0 50 FDAA CCCn1nccc1NC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1 1529091769 QBGQEKUJSKZINR-MRXNPFEDSA-N 373.432 1.761 0 50 FDAA CO[C@H](C)c1nnc(NC(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)s1 1529090065 FIIDSRKXZQCVCL-BBBLOLIVSA-N 351.436 1.532 0 50 FDAA Cc1nncn1CCN1CCCN(C(=O)[C@@H]2CCc3ccccc32)CC1 1704352889 LYIDPHYMFXBWFM-LJQANCHMSA-N 353.470 1.851 0 50 FDAA Cc1ccc(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)cc1NC(=O)C1CCCC1 1616076922 VBBJHBWVINSNSV-WMZOPIPTSA-N 360.454 1.939 0 50 FDAA CC(C)(C)C(=O)NC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 12381307 JWVOMBSRRJBJRP-IGMJJTELSA-N 354.406 1.662 0 50 FDAA CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)CCn2cnnn2)C1 12583017 MYIXDOLVJIIVOQ-ZDUSSCGKSA-N 359.455 1.907 0 50 FDAA O=C(Cc1cnc2ncnn2c1)N[C@@H]1CCCN(Cc2ccccc2F)C1 14966060 SXNJCMLOWWRTCE-MRXNPFEDSA-N 368.416 1.587 0 50 FDAA O=C(NCCCO)c1cn([C@@H]2CCCN(CCCc3ccccc3)C2)nn1 14989759 BNGIJQKJUAWCPO-GOSISDBHSA-N 371.485 1.660 0 50 FDAA CCN(Cc1c(C(=O)N2CCOCC2)nc2ccccn12)C[C@H]1CCCO1 19225013 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COc1cc(N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccc2)nc(N)n1 219485705 HWFHDIWIUYUUKN-CABCVRRESA-N 353.426 1.695 0 50 FDAA COc1cc2c(cc1OC)CN(C(=O)c1cn(C3CCNCC3)nn1)CC2 237478044 HVUNOTBUJJJYNP-UHFFFAOYSA-N 371.441 1.418 0 50 FDAA Cc1nc(Cn2nnc(NS(=O)(=O)c3ccc(Cl)cc3)c2C)no1 241383404 MVDBJWRBGXZILL-UHFFFAOYSA-N 368.806 1.780 0 50 FDAA CCC(C)(C)c1ccc(S(=O)(=O)N2CC[C@@H](O)[C@@H](C(=O)O)C2)cc1 1704303386 IPFIHBNHGZFSRL-LSDHHAIUSA-N 355.456 1.830 0 50 FDAA CCC[C@]1(C(=O)O)CN(S(=O)(=O)c2cc(F)ccc2F)CC[C@H]1O 1704332572 SWJOBUGTDOFDLF-HIFRSBDPSA-N 363.382 1.591 0 50 FDAA CS(=O)(=O)C[C@H]1CCCN1c1nnc(COC2CCC2)n1CC1CC1 2325769842 WPBLUSLGWRTWAF-CQSZACIVSA-N 368.503 1.771 0 50 FDAA COCCNC(=O)Nc1ccc(NC(=O)c2c[nH]c3ncnc(O)c23)cc1 2325862969 PAROAMPQWZWVGS-UHFFFAOYSA-N 370.369 1.684 0 50 FDAA O=C1Nc2ccccc2CC[C@H]1N1CCC[C@@H](C(=O)N2CCOCC2)C1 248814507 DFQCOFFXHUAZRC-SJLPKXTDSA-N 357.454 1.511 0 50 FDAA COC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1 624834 MLMBTPIIBCHLPS-UHFFFAOYSA-N 362.407 1.699 0 50 FDAA 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Cc1nc2c(c(NCc3noc(C)n3)n1)CCN(C[C@@H]1CCOC1)CC2 72433549 BBPYJDLDTFTLOE-AWEZNQCLSA-N 358.446 1.526 0 50 FDAA COc1ccccc1N1CC[C@@H](CNC(=O)N2CCC[C@H](CC(N)=O)C2)C1 175423807 ZERHNJFDXMKTAE-CVEARBPZSA-N 374.485 1.819 0 50 FDAA O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCN(C(=O)[C@H]2CCCO2)CC1 46455335 NOQUUZIGKURXQZ-QGZVFWFLSA-N 372.400 1.679 0 50 FDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c(C)c1 17073059 AXNBXBXGKMUMFG-HNNXBMFYSA-N 352.456 1.315 0 50 FDAA CC(=O)N(CC(=O)O)[C@H]1CCCN(C(=O)c2cccc3c[nH]nc23)CC1 461333429 MUSRCUQOYHJSIO-AWEZNQCLSA-N 358.398 1.491 0 50 FDAA NC(=O)c1csc(N2CCCn3nc(CCC(=O)NC4CC4)cc3C2)n1 82099660 JTBKZHQTTXTJHX-UHFFFAOYSA-N 374.470 1.060 0 50 FDAA Cc1nc(CC(=O)N2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)cs1 82107574 QJHVQRKBRPESBW-SFHVURJKSA-N 365.499 1.608 0 50 FDAA O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1)c1cccc(Cn2cccn2)c1 223927882 FVVQARMSRRNEMF-IYWMVGAKSA-N 366.465 1.913 0 50 FDAA NC(=O)[C@@H]1CCCN(CCCNC(=O)N2CCOc3ccccc3C2)C1 426404370 SINDZDFXRPXKFW-MRXNPFEDSA-N 360.458 1.178 0 50 FDAA Cn1cnnc1SCC(=O)N1C[C@H]2CC[C@@H]1CN(C1CCOCC1)C2 95360396 WYPPZHLSAWBZFB-DZGCQCFKSA-N 365.503 1.009 0 50 FDAA COC(=O)c1cc(OCC2CCC2)cc(C(=O)N2CC[C@](O)(CO)C2)c1 91943747 QUANKCZYTDYBBR-LJQANCHMSA-N 363.410 1.221 0 50 FDAA COc1cc2nc(N3CCC4(CC3)OCCC[C@H]4O)nc(N)c2cc1OC 95355473 ASSFULAUGYFMIT-MRXNPFEDSA-N 374.441 1.740 0 50 FDAA CCN1C[C@@H](CNC(=O)N(C)Cc2nnc(-c3ccccc3)o2)CC1=O 426389581 GYQXWTNXZNWHMK-CYBMUJFWSA-N 357.414 1.746 0 50 FDAA COc1ccc(-c2cc(C(=O)N(C)C3CCS(=O)(=O)CC3)[nH]n2)cc1 91643251 WQUWLFGRWRIQBN-UHFFFAOYSA-N 363.439 1.735 0 50 FDAA CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)N(S(=O)(=O)Cc1ccccc1)C2 91518768 OLEYBRPINFMROH-DLBZAZTESA-N 365.499 1.001 0 50 FDAA CSc1ccc(CC(=O)N2C[C@H](CO)[C@H](CN3CCOCC3)C2)cc1 91444489 MNYAISFGOLYIRW-IAGOWNOFSA-N 364.511 1.350 0 50 FDAA Cc1cc(C)n(CC(=O)N2CC[C@]3(CCCN(C(C)C)C3=O)C2)c(=O)n1 91664975 IITJMBYDRCCLBN-LJQANCHMSA-N 360.458 1.110 0 50 FDAA Cn1c(Cn2ccnc2)nnc1[C@H]1CCCN(C(=O)c2cscn2)C1 95387952 STBKHCJLEHFAQL-LBPRGKRZSA-N 357.443 1.536 0 50 FDAA O=C(c1cccc(Cn2cccn2)c1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 91665050 RERSZHFBXQTUFB-SFHVURJKSA-N 368.437 1.395 0 50 FDAA O=C(Cn1ccc2ccccc2c1=O)N1CCC[C@H](N2CCCC2=O)C1 95501324 URTKSANGXGPOQY-INIZCTEOSA-N 353.422 1.615 0 50 FDAA CCN1CC2(CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)CC2)CC1=O 95531095 WNCGAOPBOZNKQP-UHFFFAOYSA-N 368.441 1.066 0 50 FDAA Cn1c(N2CC[C@H](O)C2)nc2cc(C(=O)NCCCn3ccnc3)ccc21 95371330 NPARJWUIBCIUCO-HNNXBMFYSA-N 368.441 1.161 0 50 FDAA CNC(=O)c1cc(NC(=O)N2CCC3(CC2)C[C@@H](O)CO3)ccc1OC 95523723 CXJHKTJULLNQNR-CYBMUJFWSA-N 363.414 1.203 0 50 FDAA O=C(Cn1ncc2ccccc2c1=O)NCCCN1Cc2ccccc2C1 91586501 SWUURADTFRQRNZ-UHFFFAOYSA-N 362.433 1.919 0 50 FDAA CN1CC23CN(C)CC2(C1)CN(C(=O)[C@H](c1ccccc1F)N(C)C)C3 95376726 HZGQKCAEWRYQTN-KKXNLOMOSA-N 360.477 1.134 0 50 FDAA COCCN1CCC[C@]2(CCN(C(=O)NCc3ccc(F)cc3)C2)C1=O 95352207 UXFKOGZKEODDBO-LJQANCHMSA-N 363.433 1.996 0 50 FDAA CCC[C@H]1CN(Cc2cnc(NC(C)C)nc2)C[C@@H]1NS(C)(=O)=O 91997133 LWXBWGCNTAXCLS-GJZGRUSLSA-N 355.508 1.447 0 50 FDAA COc1ccccc1CNC(=O)CN1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2=O 91649741 ZVPNVKWEMORFQV-ZWKOTPCHSA-N 371.481 1.644 0 50 FDAA CC(C)CNS(=O)(=O)c1ccc(C(=O)N(C)CCc2cn[nH]c2)cc1 91625124 GPVXMSQGWICLLX-UHFFFAOYSA-N 364.471 1.659 0 50 FDAA O=C1NCCN(C(=O)C2CCN(C3CCCCC3)CC2)[C@H]1Cc1c[nH]cn1 97600942 VIXONRZRIQEOHA-SFHVURJKSA-N 373.501 1.324 0 50 FDAA COc1ccc(N2CCN(C(=O)CCc3nncn3C)[C@H](C)C2=O)cc1 92065677 CPWLNZCEKDUFMR-CYBMUJFWSA-N 357.414 1.020 0 50 FDAA Cc1cc(F)ccc1S(=O)(=O)NCC(=O)N(C)C[C@@H]1CCCCO1 244594319 DKWBSOWUFMCJMZ-AWEZNQCLSA-N 358.435 1.440 0 50 FDAA Cc1cc(C)cc(N2CC[C@H](C(=O)N(CCN(C)C)CC(=O)O)C2=O)c1 299749425 KGULUIYCOLDGSO-MRXNPFEDSA-N 361.442 1.131 0 50 FDAA Cn1c(N2CCC(Oc3ccccc3F)CC2)nc2c1c(O)nc(=O)n2C 631444483 ZHNXALVYYVIFHV-UHFFFAOYSA-N 373.388 1.560 0 50 FDAA CCn1ncc(S(=O)(=O)N2CC[C@]3(OC)CC[C@H](OC)C[C@H]23)c1C 299763552 OPNGAEGBMKNHHG-CWRNSKLLSA-N 357.476 1.559 0 50 FDAA COc1ccc(C(=O)N[C@@H]2CCN(Cc3cscn3)C[C@H]2O)cc1C 299771463 XXPKNPFALNEQKN-HZPDHXFCSA-N 361.467 1.825 0 50 FDAA 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O=c1c2cnn(CCO)c2ncn1Cc1cccc(CN2CCCCC2)c1 1875280897 FORNKTFXSMSOCT-UHFFFAOYSA-N 367.453 1.620 0 50 FDAA CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2c[nH]nc2-c2nccs2)C1 1875265207 LSGVJJWCCBBWNP-VIFPVBQESA-N 370.460 1.079 0 50 FDAA COCCC(=O)NCc1cccc(CN(C)C(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)c1 1875331344 GGYCLMWPERDISK-ATZDWAIDSA-N 358.438 1.523 0 50 FDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCN(CC4CCCC4)C(=O)C3)n[nH]c21 1875393893 PKRJGIOVTYHRTN-OLZOCXBDSA-N 360.458 1.907 0 50 FDAA COc1cccc(CC(=O)N[C@H]2CCCN(C(=O)c3[nH]nnc3C)CC2)c1 1875341967 QXRMRKROZZYIIR-HNNXBMFYSA-N 371.441 1.475 0 50 FDAA Cc1nc(C(=O)N(C)Cc2ccccn2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875301787 VAQXUEMQQUCFGC-QGZVFWFLSA-N 368.485 1.901 0 50 FDAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)NCc1c2c(nn1C)CCCC2 1875314714 NRSYPKMQNSRUSY-NEPJUHHUSA-N 357.458 1.985 0 50 FDAA Cc1cc(C)n2ccc(C(=O)N[C@@H]3C[C@H](Cn4ccnc4)C[C@H]3O)c2n1 1875402406 FNGMATMBSVEAIE-USXIJHARSA-N 353.426 1.717 0 50 FDAA Cc1noc(C[C@@]2(O)CCCN(CCc3nc4ccccc4n3C)C2)n1 886079337 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COc1ccccc1N1CC[C@H](NC(=O)c2n[nH]c(=O)c3ccccc23)C1 156599545 USYUFLSCFULSKD-ZDUSSCGKSA-N 364.405 1.940 0 50 FDAA Cc1nn(C)cc1[C@H]1CCCN1C(=O)CNC(=O)COc1ccccc1 369464056 PZFMAXSZTQQTEQ-QGZVFWFLSA-N 356.426 1.587 0 50 FDAA Cc1cn2c(=O)cc(CN3CCCC[C@@H]3CN3CCOCC3)nc2s1 77301873 MWQZOJLJEGLPJY-MRXNPFEDSA-N 362.499 1.751 0 50 FDAA CC(C)(C)C(=O)NCc1ccc(C(=O)N2CCO[C@@H](CC(=O)O)C2)cc1 262804979 SJRGMTFXLMIAAJ-HNNXBMFYSA-N 362.426 1.665 0 50 FDAA COc1ccc(F)c(F)c1C(=O)N[C@@H]1CCOC[C@H]1OCCN(C)C 219846627 GPMPSXHUNCGDGN-TZMCWYRMSA-N 358.385 1.439 0 50 FDAA Cc1ncsc1CCN(C)C(=O)[C@@H]1CC(=O)N(Cc2cccnc2)C1 72475314 GQUAXKZPUFWGRI-OAHLLOKOSA-N 358.467 1.896 0 50 FDAA CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N(C)Cc1cccc2ncccc12 77300999 FPNUSTYPEMPFPF-SFHVURJKSA-N 351.410 1.664 0 50 FDAA Cc1c(-c2ccnc3nc(N4CCCCC4)[nH]c(=O)c23)cnc2ncnn12 30874199 CVYDPBCMHGVMNZ-UHFFFAOYSA-N 362.397 1.722 0 50 FDAA O=C(c1cncc(-n2ccnn2)c1)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 374735866 UBNSSSYOWBXZHG-IBGZPJMESA-N 360.377 1.398 0 50 FDAA COCCN(C)C(=O)[C@H]1CC[C@@H](NC(=O)c2scc3c2OCCO3)C1 72421942 ZYXDWUVGOVGYMG-NWDGAFQWSA-N 368.455 1.523 0 50 FDAA C[C@H](NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1)C(=O)O 262466096 SYGCDDUJBVYFNA-GXFFZTMASA-N 374.846 1.337 0 50 FDAA Cc1ccncc1NC(=O)C[C@H]1COCCN1C(=O)CCCn1cncn1 72477060 FZIQQFVUCSNHIE-HNNXBMFYSA-N 372.429 1.018 0 50 FDAA COc1ccc(CN2C[C@H](C(=O)N3CCCC[C@@H]3C(=O)O)CC2=O)cc1 262566681 LTYGDXKMDCAMNA-GDBMZVCRSA-N 360.410 1.509 0 50 FDAA COc1ccc(C(=O)N2CCc3c(nc(C)[nH]c3=O)C2)c(OC)c1OC 72133844 FFHUVHFHNDNTOE-UHFFFAOYSA-N 359.382 1.303 0 50 FDAA Cc1ncc(C(=O)NCCN2CCC[C@H](C(N)=O)C2)c(-c2ccccc2)n1 215404241 SWELKKTTXYKINP-INIZCTEOSA-N 367.453 1.379 0 50 FDAA CS(=O)(=O)NCCC(=O)N1CCC(Cc2cccc(C(=O)O)c2)CC1 72128897 XERHLPWKDIFSSK-UHFFFAOYSA-N 368.455 1.105 0 50 FDAA O=C(NCCN1CCCC[C@H]1CO)c1nc2ccc(Cl)cn2c1F 215904261 YRTRLZADKAFBLW-LBPRGKRZSA-N 354.813 1.703 0 50 FDAA NC(=O)[C@H]1CN([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CCO1 241588443 PDFAIXDRACJDKS-SJORKVTESA-N 357.385 1.692 0 50 FDAA CN(C)C[C@@]1(O)CCN(C(=O)Cc2cc3c(cc2Cl)OCCO3)C1 72146807 HHIAOADKLFVQLJ-KRWDZBQOSA-N 354.834 1.179 0 50 FDAA Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1c(Cl)nc2ccccn12 177002708 QGMLGNCBOLUAHQ-SNVBAGLBSA-N 366.834 1.701 0 50 FDAA CN(C(=O)CN1CCCN(C(=O)c2ccccn2)CC1)c1ccccc1 138988552 KJTJXPGYGYBBJO-UHFFFAOYSA-N 352.438 1.893 0 50 FDAA Cc1nn(C)cc1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(=O)O)cc1 220111462 SIXDJAAILHOSHX-HZPDHXFCSA-N 359.382 1.393 0 50 FDAA O=C1C[C@]2(CCN(c3nc(-c4ccccc4)ccc3C(=O)O)C2)C(=O)N1 82108353 DBCKOUUITAWTPP-IBGZPJMESA-N 351.362 1.690 0 50 FDAA COc1ccc(-c2ccc(=O)n(CC(=O)NCc3cccnc3)n2)cc1 44917165 RLKLOAZSUXZLHH-UHFFFAOYSA-N 350.378 1.630 0 50 FDAA COc1cccc(-c2ccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3OC)o2)c1 426640608 ZWYVNIOUDCIMLR-CZUORRHYSA-N 365.407 1.497 0 50 FDAA CCCOc1ccc(Cl)cc1CNC(=O)CN1C(=O)CN(C)C1=O 426538405 QCWNQPGVMSUSGG-UHFFFAOYSA-N 353.806 1.639 0 50 FDAA O=C(CC(F)(F)F)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2 82170598 ODGSLMSYENBGTK-UHFFFAOYSA-N 358.364 1.984 0 50 FDAA Cn1ccnc1CC1CCN(c2cc(N3CCC[C@@H]3CO)ncn2)CC1 178771363 QMOJXVGXFLRXTN-MRXNPFEDSA-N 356.474 1.630 0 50 FDAA COc1cccc(-n2cc([C@@H](C)NC(=O)CCn3nnnc3C)cn2)c1 223244674 QMMOMPUSMYPUPO-GFCCVEGCSA-N 355.402 1.443 0 50 FDAA CN(C)CCO[C@H]1CCOC[C@H]1NC(=O)CCc1ccc(F)cc1F 222331621 FUZXLJKZMJMTLN-SJORKVTESA-N 356.413 1.749 0 50 FDAA COc1ccc2[nH]cc(CC(=O)N3CC[C@@H](CS(C)(=O)=O)C3)c2c1 292051599 FXQIAVJGDOKQGO-GFCCVEGCSA-N 350.440 1.612 0 50 FDAA NCCOc1ccc(CC(=O)N2CCNC(=O)[C@@H]2c2cccc(F)c2)cc1 426433944 CZNZOUWEZDFPBC-IBGZPJMESA-N 371.412 1.405 0 50 FDAA Cc1ccc(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)c(=O)[nH]1 95513292 OBAWABKGEIBDBL-OAHLLOKOSA-N 357.458 1.461 0 50 FDAA CS(=O)(=O)c1ccc(NC(=O)NCCN2CCCC[C@@H]2CO)cc1 96148799 AOXHNBKVBNIWNS-CQSZACIVSA-N 355.460 1.058 0 50 FDAA CC(C)(C(=O)O)c1cnc(NC[C@H]2CCCCO2)nc1N1CCOCC1 96140299 FGFFJZFVPGGDCG-CYBMUJFWSA-N 364.446 1.656 0 50 FDAA CN(CCNC(=O)Nc1ccccc1OC(F)(F)F)S(C)(=O)=O 95513306 CSHWPXMWVLOTAW-UHFFFAOYSA-N 355.338 1.598 0 50 FDAA Cc1nc2ncc(C(=O)N3CCC[C@H]3c3cc(C(C)C)on3)c(=O)n2[nH]1 426640585 WVVCPKYAJAPIAM-ZDUSSCGKSA-N 356.386 1.815 0 50 FDAA Cc1cc(=NC(=O)c2ccc3ccn(C)c3c2)n([C@H]2CCS(=O)(=O)C2)[nH]1 334159231 PTIIOESKYSOHRT-HNNXBMFYSA-N 372.450 1.717 0 50 FDAA Cc1ccc([C@@H](CNC(=O)c2cnc3ccnn3c2C)N2CCOCC2)o1 97217404 MKAZSYXYQCOJPR-MRXNPFEDSA-N 369.425 1.742 0 50 FDAA Cc1cc(C)n([C@H]2CCN(C(=O)CN3C(=O)COc4cccnc43)C2)n1 95516882 MVTBOWZMOCHMTG-AWEZNQCLSA-N 355.398 1.094 0 50 FDAA Cc1nc(C)c(C(=O)NCc2cc3n(n2)CCN(C(=O)N(C)C)C3)s1 91493140 FDEBVQOOGGBCNG-UHFFFAOYSA-N 362.459 1.384 0 50 FDAA C[C@@H](Cn1cncn1)C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O 91546992 AHEYYGSASPVLQZ-ZDUSSCGKSA-N 354.414 1.340 0 50 FDAA Nc1ccnc(N2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CC2)n1 91906946 ACXRVUVGJGIWQN-UHFFFAOYSA-N 353.430 1.072 0 50 FDAA Cc1n[nH]c(C)c1CCN(C)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 95379553 FECOKELRRTYLMC-OAHLLOKOSA-N 355.442 1.471 0 50 FDAA CCCc1nnc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 238937474 VSTWONBZLQHALN-CXWACVEQSA-N 360.439 1.625 0 50 FDAA O=C(NCCNC(=O)C1CCN(Cc2ccccc2)CC1)c1cccnc1 299158402 PWKSERKWXBHPDX-UHFFFAOYSA-N 366.465 1.840 0 50 FDAA C[C@H](C(=O)N[C@H](CO)c1cccc(Br)c1)N1CCN(C)CC1 183913431 OUURDYTWDYABCA-IUODEOHRSA-N 370.291 1.235 0 50 FDAA COc1ccc(CNC(=O)c2ccc3c(c2)OCC(=O)N3)cc1C(=O)O 299747221 CKTSVXISLRIHMU-UHFFFAOYSA-N 356.334 1.654 0 50 FDAA CCOc1cn(-c2ccccc2)nc1C(=O)N1CCO[C@H](CC(=O)O)C1 299749479 KMNAHNKTULBQIB-CQSZACIVSA-N 359.382 1.587 0 50 FDAA COc1ccc2[nH]c(CCN(C)C(=O)Cc3c(C)nc(C)nc3O)nc2c1 253537227 FJYPSNZBGYSXRY-UHFFFAOYSA-N 369.425 1.928 0 50 FDAA COc1ccc(OC)c([C@H](C)NC(=O)N2CCN(Cc3nc[nH]n3)CC2)c1 534588864 ONLNGARVNNJVMN-ZDUSSCGKSA-N 374.445 1.410 0 50 FDAA CCc1nc(C)c(CNC(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)s1 534586349 QRSZPVTYGWZCEL-GFCCVEGCSA-N 359.517 1.980 0 50 FDAA CC[C@H](C(=O)N1CCc2c(nc(C)[nH]c2=O)C1)N1Cc2ccccc2C1=O 71575977 SRWWSOVMFQDSKZ-QGZVFWFLSA-N 366.421 1.398 0 50 FDAA Cc1nc(-c2cccc(C(=O)N3CCO[C@@H]4CC[C@H](C(N)=O)C[C@H]43)c2)no1 1940194851 XHMJBCXHAFVSKG-APHBMKBZSA-N 370.409 1.540 0 50 FDAA O=C(Cn1cncn1)N(Cc1cccc(OC[C@@H]2CCOC2)c1)C1CC1 299802035 ZYBGISJLEDMALJ-MRXNPFEDSA-N 356.426 1.885 0 50 FDAA NCCc1ccc(CN2CCn3nc(CNc4ncccn4)cc3C2)cc1 299764663 CGEXSMPPFLEEIQ-UHFFFAOYSA-N 363.469 1.802 0 50 FDAA CN(C)c1ncnc2c1CCN(C(=O)CCNC(=O)c1ccccc1F)C2 299790488 ARMASWICNUCRMF-UHFFFAOYSA-N 371.416 1.387 0 50 FDAA O=C(O)[C@H](Cc1ccccc1)NC(=O)N1CCC(Oc2ncccn2)CC1 670442293 RKRQOPREUKCSJM-INIZCTEOSA-N 370.409 1.725 0 50 FDAA C=CC(=O)N1CCC(C(=O)N2CCN(c3cccc(OCC)n3)CC2)CC1 1875369619 YZROAOWDPITAPN-UHFFFAOYSA-N 372.469 1.554 0 50 FDAA COc1ccccc1C(=O)N(C)C[C@H](C)NC(=O)[C@@H](CC(C)C)C(N)=O 1875344064 CUSDDUWRQWZLKB-ZFWWWQNUSA-N 363.458 1.420 0 50 FDAA Cc1conc1C(=O)NC[C@]1(CO)COC[C@@H](C)N1Cc1ccccc1 1875396950 YLMVNUBYCDFKRR-BEFAXECRSA-N 359.426 1.365 0 50 FDAA NC(=O)c1cccnc1N1CCN(C(=O)c2ccc3c(c2)CCCO3)CC1 952984943 YXXBZZHJHVXSDV-UHFFFAOYSA-N 366.421 1.468 0 50 FDAA Cc1c(CC(=O)N2CCOC3(CCOCC3)C2)nnn1-c1ccccc1 269063383 RBXXQJPYRHMJJX-UHFFFAOYSA-N 356.426 1.526 0 50 FDAA Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(CC(=O)N(C)C)C[C@@H]3O)c(C)c2c1 1565527948 KFINJNPVFKUPAG-IRXDYDNUSA-N 372.469 1.038 0 50 FDAA O=C(COc1ccc(F)cc1)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1O 1565527338 FIJNKISASVVBFA-ROUUACIJSA-N 359.401 1.351 0 50 FDAA Cc1c(NC(=O)CN2C[C@@H]3CC[C@H]2CN(Cc2cscn2)C3)cnn1C 1073244576 HCQDQKCEADKHNN-ZBFHGGJFSA-N 374.514 1.720 0 50 FDAA O=S(=O)(c1ccc2c(c1)OCO2)N1C[C@@H](CO)[C@H](c2ccsc2)C1 275315215 OHSJRCPKMCCXNE-JSGCOSHPSA-N 367.448 1.873 0 50 FDAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 170594109 DGANQKSRQKLYCV-MRXNPFEDSA-N 361.467 1.677 0 50 FDAA O=C(Cc1cccc(O)c1)N1CCCN(C(=O)C[C@H]2CCCOC2)CC1 1529113303 DSALAPLLFMZTCK-QGZVFWFLSA-N 360.454 1.812 0 50 FDAA COCC1(CNC(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)CCC1 1529194989 DSNAVNKJNRGEHI-MSOLQXFVSA-N 373.453 1.445 0 50 FDAA COc1ccc(Br)c(S(=O)(=O)N2CCC(CN)CC2)c1 237330644 JFCLQBZJVBOXED-UHFFFAOYSA-N 363.277 1.817 0 50 FDAA C[C@@]1(O)CCOC2(CCN(C(=O)CCCN3CCCCC3=O)CC2)C1 1704340470 IROYKEXYBPDCIE-GOSISDBHSA-N 352.475 1.702 0 50 FDAA CCCCc1ccc(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1 1704298335 GWRYRFBPFFOTRC-DLBZAZTESA-N 368.499 1.665 0 50 FDAA NC(=O)c1ccc(OCCCN2C[C@H](O)[C@H](Cc3ccncc3)C2)cc1 1704339765 NZWVPIYKJDTFNV-MJGOQNOKSA-N 355.438 1.485 0 50 FDAA O=C(O)[C@]12CCOC[C@H]1CN(S(=O)(=O)c1ccc(F)cc1Cl)C2 1772711810 GDMGQSHFRTYQPB-OTYXRUKQSA-N 363.794 1.591 0 50 FDAA CCc1nc(CN2CCCN(C(=O)c3ccc4c(c3)OCCO4)CC2)n[nH]1 1772813788 TZIZCHFXWKCKAR-UHFFFAOYSA-N 371.441 1.486 0 50 FDAA COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(O)cc1)CC2 12130738 NBUYZMRFEQHCGE-CQSZACIVSA-N 373.457 1.256 0 50 FDAA CS(=O)(=O)N1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 12596619 LPPUYHJFZCSPCE-MRXNPFEDSA-N 358.410 1.739 0 50 FDAA O=C1c2ccccc2S(=O)(=O)N1Cc1nnnn1-c1ccc(F)cc1 13629552 JQHPDIFGVJDELI-UHFFFAOYSA-N 359.342 1.146 0 50 FDAA CN1C(=O)C[C@@](CC(=O)N2CCCC[C@@H]2CO)(c2cccc(F)c2)C1=O 200566038 REJMSXHCVQKEPK-DNVCBOLYSA-N 362.401 1.216 0 50 FDAA C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@@H]2C[C@]3([C@@H](O)O2)[C@@H](C(=O)CO)CC[C@@H]13 6067801 JDEYOKPHRJVBQO-BMDKAXIVSA-N 364.482 1.875 0 50 FDAA in-vitro CCOC(=O)[C@@H]1[C@@H](C)C=C[C@H]2CN(S(=O)(=O)c3c(C)noc3C)C[C@H]21 1857672721 YDVPBZYBXBJABB-BSLXNSKLSA-N 368.455 1.913 0 50 FDAA CCn1cc(CN2CCC[C@@]3(CCc4c(O)nc(N(C)C)nc43)C2)cn1 1857706239 LUEOCRLYAACNNG-LJQANCHMSA-N 356.474 1.945 0 50 FDAA Cc1noc(C)c1C(=O)N1CCC[C@]2(CCc3c(O)nc(N(C)C)nc32)C1 1857714346 QKRSSTWLRXZPAU-IBGZPJMESA-N 371.441 1.973 0 50 FDAA Cc1cc(C)n2nc(C)c(C(=O)N[C@H]3C[C@H]4CO[C@@H](C5CC5)CN4C3)c2n1 1857738301 BBJZTOYFHMILSE-YESZJQIVSA-N 369.469 1.636 0 50 FDAA COc1cc(C(=O)N2CCc3nc(C(N)=O)cn3CC2)c2ccccc2n1 1875248986 CJPLVDVHRTVZKA-UHFFFAOYSA-N 365.393 1.237 0 50 FDAA O=C1C[C@H](c2ccc(-c3cc(C(=O)N4CCOCC4)ccn3)cc2)CN1 1875249076 CYIRMNKXZBOTHQ-KRWDZBQOSA-N 351.406 1.825 0 50 FDAA O=C(NC1CC1)c1ccc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)cc1 120233738 PEJJMLDFFOXTKS-LJQANCHMSA-N 371.481 1.906 0 50 FDAA Cc1oc(-c2cccs2)nc1CC(=O)N1CCO[C@H](CC(=O)O)C1 237663210 XRTIXOUSCCBHIV-LLVKDONJSA-N 350.396 1.956 0 50 FDAA O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)N1CCC[C@@H](c2ncc[nH]2)C1 264809555 SJMOVSQFZDYPNG-GHMZBOCLSA-N 359.352 1.462 0 50 FDAA CC(=O)NCC(=O)NC[C@H](Cc1ccccc1)N(C)C(=O)OC(C)(C)C 820516957 WSZOAQUZCSUNGU-INIZCTEOSA-N 363.458 1.717 0 50 FDAA CC(C)c1nc(O)ccc1C(=O)N1CCC[C@H](c2nnc(CO)n2C)C1 2100482790 ZBBSOSARRIMVFZ-LBPRGKRZSA-N 359.430 1.551 0 50 FDAA O=c1c2ccccc2cnn1CCc1nnc(S)n1-c1cccnc1 13690271 SBBTUWDPIMUAEW-UHFFFAOYSA-N 350.407 1.904 0 50 FDAA O=C1C[C@@H](N2CCN(c3ccc(O)cc3)CC2)C(=O)N1Cc1cccs1 18271506 UPUVGXCCEJUGMF-QGZVFWFLSA-N 371.462 1.903 0 50 FDAA CN[C@H](CC(C)(C)C)C(=O)NS(=O)(=O)CC12C[C@@H]3CC(C[C@H](C3)C1)O2 2325780038 BYKNIUWGOMPOOL-BBRFQWEMSA-N 372.531 1.804 0 50 FDAA O=C(CN1CCNC[C@H]1c1ccncc1)Nc1cccc2nsnc12 2325807874 AOUCTAXBUUXEFU-HNNXBMFYSA-N 354.439 1.671 0 50 FDAA O=C1N[C@H](c2ccc(OCC(F)F)cc2)C(=O)N2CC3(CCC3)OC[C@@H]12 2325808974 JFGKBFCEYDXTCY-DZGCQCFKSA-N 366.364 1.652 0 50 FDAA O=C1N[C@@]2(CCc3cc(Cl)ccc32)C(=O)N1Cc1nnnn1C1CC1 151818187 PRNUZVDLQZWLDE-MRXNPFEDSA-N 358.789 1.555 0 50 FDAA CCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 813990 DISRAQWGSLOIOH-UHFFFAOYSA-N 360.863 1.885 0 50 FDAA CC1(C)CC(=O)[C@@H]([C@]2(O)C(=O)Nc3ccc(Br)cc32)CO1 849605 VKDTYZYFTAYPCQ-BONVTDFDSA-N 354.200 1.973 0 50 FDAA biogenic Cc1cc(C)c(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C)c1 898108 NGFUKOLKGLWMPA-UHFFFAOYSA-N 368.480 1.738 0 50 FDAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)C3=NNC(=O)CC3)C2)c2cccc(=O)n21 2356146004 MYHSUHQPXJNWNI-GUTXKFCHSA-N 356.426 1.401 0 50 FDAA O=C1CN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CCN1c1ccccc1 462688502 UFEGJTIFWZDESV-UHFFFAOYSA-N 372.406 1.306 0 50 FDAA CCNC(=O)N1CCNC(=O)[C@@H]1CC(=O)Nc1cccc(Cl)c1Cl 9225257 GZAPNDXXOWVPOO-NSHDSACASA-N 373.240 1.852 0 50 FDAA CCN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)CC1 20019614 YUXNFJVWJMDGRM-AWEZNQCLSA-N 361.442 1.221 0 50 FDAA CC1=C(C(=O)NCc2n[nH]c3c2CCC3)[C@@H](c2cccnc2)NC(=O)N1 67840054 HYJVRVJDNVPMKI-MRXNPFEDSA-N 352.398 1.238 0 50 FDAA O=C1CCC2(CCN1)CCN(C(=O)Cc1ccc3c(c1)NC(=O)CO3)CC2 67967579 MCVVMCNBIXSFLT-UHFFFAOYSA-N 371.437 1.469 0 50 FDAA CS(=O)(=O)N1CCC(C(=O)NCc2ccc(-n3ccnc3)cc2)CC1 65356358 ZKAMEQOBSGRZAC-UHFFFAOYSA-N 362.455 1.160 0 50 FDAA O=C(NCC(=O)N1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O)NC1CCCCC1 408066356 XRXWACSUEFKGNN-BBWFWOEESA-N 367.490 1.397 0 50 FDAA Cn1cc(CNCC2(O)CCS(=O)(=O)CC2)c(C2CCCCC2)n1 328878459 LALJQOPWOCUMPD-UHFFFAOYSA-N 355.504 1.497 0 50 FDAA Cn1cccc(C(=O)N2CC[C@@H](NC(=O)OCc3ccccc3)C2)c1=O 215738024 FSCLXXSPLJNHMR-OAHLLOKOSA-N 355.394 1.526 0 50 FDAA COc1nccnc1N1CCc2nc(C)nc(N[C@@H]3CCOC3)c2CC1 72458680 JZIFNIRAGGYAOL-CYBMUJFWSA-N 356.430 1.390 0 50 FDAA CC(C)CCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2ccno2)[C@@H]3C1=O 77407129 BQOHXUBNBQZYAB-GGXPGOJBSA-N 359.426 1.461 0 50 FDAA CCOCCn1c(=O)[nH]c2cc(C(=O)N(C)Cc3cc(C)no3)ccc21 77469845 JUTBJCRKBPQEJU-UHFFFAOYSA-N 358.398 1.935 0 50 FDAA C[C@H](NC(=O)N1C[C@H]2CC[C@H]1CN2)c1ccc(S(=O)(=O)N(C)C)cc1 333337573 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CNS(=O)(=O)c1ccc(CN2CCC(N3CCC[C@@H](O)C3)CC2)cc1 72410774 LIXKEKINUXVPDZ-QGZVFWFLSA-N 367.515 1.016 0 50 FDAA Cc1c(C(=O)NC[C@H](O)c2ccc(Cl)cc2)nnn1C1CCNCC1 237808729 FETAUCKNOXMOHU-HNNXBMFYSA-N 363.849 1.628 0 50 FDAA O=C(N[C@@H]1CCN(C(=O)c2ccc(Cl)s2)C[C@H]1O)c1ccncc1 77406013 OXADVOKKPAZWFU-VXGBXAGGSA-N 365.842 1.802 0 50 FDAA Cc1ccc(Cn2nc(C)c(CCC(=O)N3C[C@@H](O)[C@@H](CO)C3)c2C)cc1 458020658 GENXSTSHLVBQMM-UYAOXDASSA-N 371.481 1.601 0 50 FDAA COCCCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1 72142097 LKZFFTAXIHISCG-IBGZPJMESA-N 369.465 1.683 0 50 FDAA CN1CC2(CCN(C(=O)c3ccccc3-n3cncn3)CC2)C[C@@H]1C(=O)O 72164848 PKWKZTWGTHZYGV-MRXNPFEDSA-N 369.425 1.278 0 50 FDAA O=C(CCc1ccccc1)[C@H]1CCCN(C(=O)c2cc(=O)[nH]c(O)n2)C1 77388544 WIZLHIHQINBNDO-AWEZNQCLSA-N 355.394 1.530 0 50 FDAA O=C(N[C@@H]1CCOC[C@H]1Oc1ccccn1)c1cc2c([nH]c1=O)CCCC2 220512537 RLKRJIVYDPNWQH-IAGOWNOFSA-N 369.421 1.615 0 50 FDAA COCCN1CC[C@H](CNC(=O)c2cnc(-c3cccc(C)c3)nc2O)C1 82099366 OTHRWPZWPMZVKU-OAHLLOKOSA-N 370.453 1.856 0 50 FDAA CCC[C@@H]1CN(S(=O)(=O)c2ccc3oc(=O)n(C)c3c2)C[C@H]1N(C)C 82139280 SAUAKMVJFXGQRO-IUODEOHRSA-N 367.471 1.482 0 50 FDAA Cc1nn(C)c(C)c1CN(C(=O)Cn1ccc([C@@H]2CCCNC2)n1)C1CC1 426489462 AKLMDXHLGTWMKO-MRXNPFEDSA-N 370.501 1.892 0 50 FDAA O=C(NCc1ccc(Cl)cc1Cl)N[C@@H]1COCC[C@@H]1OCCO 223164474 OKOQRTCXTXDNEC-KGLIPLIRSA-N 363.241 1.959 0 50 FDAA Cc1cc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(C)CC3)C2)nn1C 20994146 SPNHAEDJQAMBJD-MRXNPFEDSA-N 361.490 1.135 0 50 FDAA Cc1c(-c2cc(C(=O)NCCCc3nnc4ccccn34)no2)cnn1C 426409180 CLWXJFDBADDGBJ-UHFFFAOYSA-N 365.397 1.789 0 50 FDAA O=C(NCCNC(=O)c1ccccc1N1CCOCC1)c1ccc(F)cc1 149977606 HQZGMGXKIDBCPD-UHFFFAOYSA-N 371.412 1.822 0 50 FDAA O=C(CCc1ccccc1)N1CCCN(S(=O)(=O)N2CCCC2)CC1 81064868 IVEKCXMPMMQKGE-UHFFFAOYSA-N 365.499 1.494 0 50 FDAA CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)c1cc(N2CCOCC2)ccn1 293590187 BAIRQNVLVVCDSD-GDBMZVCRSA-N 367.471 1.004 0 50 FDAA COCCN1CCN(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)CC1 194449496 AHWXEQKOABPPAU-IBGZPJMESA-N 360.502 1.482 0 50 FDAA CN1CCCC[C@H]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 95360295 JZZPMWJOXWZBOY-HNNXBMFYSA-N 353.488 1.257 0 50 FDAA Cc1nn(C)cc1C(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1cccnc1)C2 91417046 DGRKMFYNFMQIFH-GOEBONIOSA-N 353.426 1.500 0 50 FDAA O=C(c1ccc[nH]1)N1CCN(C(=O)[C@@H]2CCCN(C3CCCC3)C2)CC1 95391758 LIDJIMWBMCMWAH-MRXNPFEDSA-N 358.486 1.954 0 50 FDAA CN1CC2(CCC1=O)CCN(C(=O)c1cc(=O)n(-c3ccccc3)[nH]1)CC2 91973976 KIYJZFULSLGYPR-UHFFFAOYSA-N 368.437 1.640 0 50 FDAA CNc1ncc(C(=O)N2CCC[C@H](c3nccn3CCCN(C)C)C2)cn1 95371455 SGTBCIDQUKGVER-HNNXBMFYSA-N 371.489 1.686 0 50 FDAA COCC(=O)N1C[C@@H]2CN(Cc3ccc4ccccc4c3)C[C@]2(C(=O)O)C1 96137355 OAEVQIPWEYCIBF-RXVVDRJESA-N 368.433 1.831 0 50 FDAA COCCN(C)C[C@@H]1CN(C(=O)c2cc3ccccc3cc2O)C[C@@H]1CO 91713682 ADBJEVNMAPPYPI-QZTJIDSGSA-N 372.465 1.804 0 50 FDAA C[C@H](CN1CCOCC1)C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O 92027974 IHCGCAAUSPDHKI-OAHLLOKOSA-N 372.469 1.380 0 50 FDAA COCCCN1CCC[C@@]2(CCN(Cc3[nH]cc(C)c(=O)c3C)C2)C1=O 91792852 WYMNREBITSYBDD-FQEVSTJZSA-N 361.486 1.843 0 50 FDAA Cn1nc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)c2ccccc21 95512837 AYLUBXDFGMCCSK-FQEVSTJZSA-N 370.453 1.410 0 50 FDAA Nc1ncccc1CN1CCC2(CCN(C3CCOCC3)CC2)[C@H](CO)C1 97785475 XUHANALCQRWPEA-SFHVURJKSA-N 374.529 1.739 0 50 FDAA CC[C@H]1CN(C)CCCN1S(=O)(=O)c1ccc2nc(O)cnc2c1 295846788 DFQXMQDNZCTUMD-LBPRGKRZSA-N 350.444 1.440 0 50 FDAA CCNc1ncc(CN2CC[C@@]3(O)CCN(C(=O)C4CCC4)C[C@H]3C2)cn1 95382423 MVMJLHCUNVXMBJ-YLJYHZDGSA-N 373.501 1.494 0 50 FDAA CS[C@H](C)C(=O)N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 91809120 BHMASTNVNDPWNM-CQSZACIVSA-N 364.515 1.935 0 50 FDAA Cn1c(=O)c(CN2CCC3(CC2)NC(=O)C[C@@H]3C(=O)O)cc2ccccc21 243893205 APHVNSJVVONGQZ-OAHLLOKOSA-N 369.421 1.094 0 50 FDAA O=C1NCC2(CCN(CCN3CCN(Cc4ccccc4)CC3)CC2)O1 244601806 DSAUMQRSZHROQL-UHFFFAOYSA-N 358.486 1.379 0 50 FDAA Cc1cc(N2CCN(Cc3nnc([C@H]4C[C@H](N)C4)n3C)CC2)cc(C)n1 252527446 COZNWJSHJBQEKH-WKILWMFISA-N 355.490 1.354 0 50 FDAA CN(C[C@H]1OCCc2ccccc21)C(=O)Cc1ccc(-n2cnnn2)cc1 299683707 UHJYNBZXMLLNBO-LJQANCHMSA-N 363.421 1.977 0 50 FDAA C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)c2cc(C(=O)O)nn2-c2ccccc2)CC1=O 299752229 SXWHBVSLSNLHPE-TYNCELHUSA-N 368.393 1.310 0 50 FDAA COc1ccccc1OC(C)(C)C(=O)N[C@H]1COC[C@@H]1N1CCOCC1 534643530 LWYCWXQAWXBBBN-GJZGRUSLSA-N 364.442 1.068 0 50 FDAA CC(C)Cc1noc(CN(C)C(=O)NCc2cccc(-c3nn[nH]n3)c2)n1 534656124 WWPLBOXDGHGEHA-UHFFFAOYSA-N 370.417 1.790 0 50 FDAA CN(C)C(=O)CN1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 377288453 JLOIMJGJXVLDIQ-UHFFFAOYSA-N 373.906 1.266 0 50 FDAA O[C@@H]1CN(Cc2ccccc2Cn2cccn2)CC[C@H]1Nc1ncccn1 299757040 HQDDZSMUMNYOLV-RTBURBONSA-N 364.453 1.769 0 50 FDAA Cc1noc(C)c1CN1CC[C@@H](NC(=O)c2n[nH]c3ccccc23)[C@H](O)C1 299773741 FNNGGCPENYDMPC-IAGOWNOFSA-N 369.425 1.533 0 50 FDAA CN(C)c1nc(O)c2c(n1)CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)CC2 299774849 JJOINOKHMWZXGF-JKSUJKDBSA-N 352.438 1.979 0 50 FDAA CC(C)(C)c1cc(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)nc(O)n1 299768636 PMVMIVDRRNVEHT-ZDUSSCGKSA-N 360.458 1.954 0 50 FDAA COCC(=O)N1CCC2(CC1)CN(C(=O)c1sccc1Cl)CCO2 824308499 FZHRIYBQASFMHI-UHFFFAOYSA-N 372.874 1.882 0 50 FDAA CCSC[C@@H](C)N1CCOC2(CCN(C(=O)CCNC(C)=O)CC2)C1 823421474 QLMBJEREBNJEHM-OAHLLOKOSA-N 371.547 1.348 0 50 FDAA O=C1NC(=O)[C@H](C2CN(C(=O)c3cc(C4CC4)nc(C(F)(F)F)c3)C2)N1 1875319873 WTPFHNGYORTURB-LBPRGKRZSA-N 368.315 1.258 0 50 FDAA C=CC(=O)N1CCC(C(=O)N2CCc3c(CC(N)=O)cccc3C2)CC1 1875366913 WWWZIYRLFBVAIC-UHFFFAOYSA-N 355.438 1.024 0 50 FDAA C=CC(=O)N(C)c1ccc(C(=O)N[C@@]2(c3ncccn3)CCOC2)cc1 1875373807 PBEIIHLIEBHPCO-IBGZPJMESA-N 352.394 1.671 0 50 FDAA COc1cnc2nc[nH]c(=NC[C@@H](c3cn(C)cn3)N3CCCC3)c2c1 1875305504 UIKLLQNQSJBOAY-INIZCTEOSA-N 353.430 1.438 0 50 FDAA Cn1ncnc1-c1ccc(C(=O)N[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)cc1 1875401010 QDHNOGFSKQTYOM-KBRIMQKVSA-N 366.425 1.248 0 50 FDAA CNC(=O)C[C@@H]1CN(C(=O)NCCC2=CCc3ccc(OC)cc32)C[C@H]1O 1875403699 YVBWOLBEWUDWCD-CRAIPNDOSA-N 373.453 1.163 0 50 FDAA Cc1nc(CC2CC2)oc1C(=O)N1Cc2nnc(C)n2C[C@H]1CN(C)C 952848243 DDWNUXNWPWGJHQ-CQSZACIVSA-N 358.446 1.422 0 50 FDAA O=C(CN1CCC(=O)N2CCOC[C@@H]12)Nc1ccc(C(F)(F)F)cc1 1875281475 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Cc1cc(C)n(C2CN(C(=O)C3CCN(C(=O)c4ccncc4)CC3)C2)n1 426442830 DFNLOYHPGHJHGL-UHFFFAOYSA-N 367.453 1.831 0 50 FDAA CN(Cc1ccc2nsnc2c1)C(=O)c1cc2ncc(CCO)cn2n1 426711203 DHPHMMNREPDNGQ-UHFFFAOYSA-N 368.422 1.541 0 50 FDAA COCc1noc(C[C@H]2CN(c3nc4c(s3)c(C)nn4C)CCO2)n1 96137030 WVDINULKCNMXQG-JTQLQIEISA-N 364.431 1.316 0 50 FDAA O=C1OCc2cc(NC(=O)N3CCCO[C@@H](Cn4cccn4)C3)ccc21 95524387 HSTZSGRTXNRGCH-OAHLLOKOSA-N 356.382 1.877 0 50 FDAA CC[C@@H](O)Cn1nc(-c2ccncc2)nc1-c1ccccc1-c1nnn[nH]1 96179818 GHCOKFBTHNHFQK-CYBMUJFWSA-N 362.397 1.958 0 50 FDAA COCc1noc(CCNC(=O)Nc2cc(-n3cnnn3)cc(C)c2C)n1 96180624 KNZHYJFAYPSMCS-UHFFFAOYSA-N 372.389 1.173 0 50 FDAA O=C(NC[C@@H]1CCCO1)c1cccc(S(=O)(=O)N2CCCOCC2)c1 95388071 GDYQPFICJPYKEB-HNNXBMFYSA-N 368.455 1.006 0 50 FDAA Cn1ncnc1COc1ccc(S(=O)(=O)NCCc2cccnc2)cc1 162743358 QFDIMZDPNWTLOY-UHFFFAOYSA-N 373.438 1.310 0 50 FDAA Cc1ocnc1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 91860222 SXDYYJPSTWKKCO-UHFFFAOYSA-N 369.425 1.632 0 50 FDAA COc1cccc2c1OCCCN(C(=O)C[C@H]1C(=O)N(C)C(=O)N1C)C2 91424944 NXTMELFDJACNON-ZDUSSCGKSA-N 361.398 1.089 0 50 FDAA COc1ccc(CN2C[C@H]3CN(C(=O)N(C)C)C[C@@]3(C(=O)O)C2)c(F)c1 96165358 IWRIFHZDNNQNMR-UGSOOPFHSA-N 365.405 1.334 0 50 FDAA COc1ccc([C@@H](NS(=O)(=O)c2cn(C)cn2)[C@H]2C[C@@H](O)C2)cc1F 244734335 NDPJIKXLKCATKD-BFQNTYOBSA-N 369.418 1.358 0 50 FDAA CN(Cc1ccccc1)S(=O)(=O)N1CCCC[C@H]1CN1CCOCC1 248010447 BRASZTBQRHHNLO-SFHVURJKSA-N 367.515 1.550 0 50 FDAA Nc1nc(N2CCC(OCc3cccnc3)CC2)cc([C@H]2C[C@@H](O)C2)n1 244898868 ZDAUOHKYNSJANV-GASCZTMLSA-N 355.442 1.878 0 50 FDAA CN1C(=O)C[C@@H](C(=O)NCCC(=O)O)[C@@H]1c1ccc(C(F)(F)F)cc1 299753607 YTXRUEXBHLWXIW-RISCZKNCSA-N 358.316 1.816 0 50 FDAA COc1ccc(CNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1C(=O)O 299749838 LVYVKLAMBPLBQM-SJCJKPOMSA-N 364.423 1.464 0 50 FDAA CNC(=O)c1noc(CNC(=O)CCc2nc(-c3cccc(C)c3)no2)n1 252484354 FUSICJYLQVBGNO-UHFFFAOYSA-N 370.369 1.037 0 50 FDAA CCCn1cnnc1[C@H](C)NC(=O)N1CCN(Cc2ccccn2)CC1 534647274 CENPWIXXSGBFSK-HNNXBMFYSA-N 357.462 1.672 0 50 FDAA CC(C)N(C[C@H]1CCC(=O)N1)C(=O)c1ccc(-c2nc(=N)cc[nH]2)cc1 534676016 RBRGWZHPXGTNMY-OAHLLOKOSA-N 353.426 1.685 0 50 FDAA O=C(NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2)[C@H](O)C1CCCCC1 299801331 ZXGVYMFXTZRTLI-GOSISDBHSA-N 374.485 1.583 0 50 FDAA CN(C(=O)c1ccc(Cl)cc1OCCCN)C1CCS(=O)(=O)CC1 299800531 XGECETTYUILQJS-UHFFFAOYSA-N 374.890 1.717 0 50 FDAA Cn1c(C(=O)NCC2(c3ccccc3F)CCCC2)cc(=O)n(C)c1=O 299783450 YMVHYUTYCASVLL-UHFFFAOYSA-N 359.401 1.465 0 50 FDAA O=C(CCN1CCCCCC1=O)N[C@H]1CCCN(C(=O)c2ccco2)C1 828013122 SIYGJSKCMZIIOQ-HNNXBMFYSA-N 361.442 1.793 0 50 FDAA Cc1cccnc1CN1CCN(C(=O)NCc2cnc3cnccn23)CC1 584894506 HHJFMMLQJYYMFW-UHFFFAOYSA-N 365.441 1.460 0 50 FDAA COCCN1CCC[C@@H](CNS(=O)(=O)N(C)Cc2ccccc2)C1 670450802 RTXVVJRHTRZYDP-KRWDZBQOSA-N 355.504 1.311 0 50 FDAA CN(Cc1nc2c(s1)CCCC2)C(=O)c1ccc(S(N)(=O)=O)nc1 270876997 KRMZZGSFGCGNAV-UHFFFAOYSA-N 366.468 1.337 0 50 FDAA O=C1CC[C@@H]2CN(C(=O)c3sc(N4CCCC4)nc3Cl)C[C@@H]2N1 1875296628 GOHUWXDRLLXBJO-ZJUUUORDSA-N 354.863 1.747 0 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1.782 0 50 FDAA CNC(=O)Cc1nc(-c2cccnc2N(C)C)n(CCc2ccccc2)n1 1857667427 QMKJPPQWUPSWFO-UHFFFAOYSA-N 364.453 1.937 0 50 FDAA CC(C)(C)c1nc(O)c2c(n1)[C@]1(CCCN(C(=O)c3cc(=N)[nH][nH]3)C1)CC2 1857708887 SDGIZRQEQXSKCB-LJQANCHMSA-N 370.457 1.736 0 50 FDAA Cn1ccc(C(=O)N2CCO[C@@H](CO)[C@@H]2c2ccccc2Cl)cc1=O 1875242820 CZVQAHRDTUGMMS-RDJZCZTQSA-N 362.813 1.613 0 50 FDAA NC(=O)c1ccc(OCCCN2C(=O)[C@@]3(CCNC3)c3ccccc32)cc1 1875245434 ZOSKHPQWUBLVSX-OAQYLSRUSA-N 365.433 1.832 0 50 FDAA CCOc1ccc(S(=O)(=O)N[C@@H]2CCCn3nc(COC)nc32)cn1 328615480 YPIHWMRTPGRYBH-GFCCVEGCSA-N 367.431 1.032 0 50 FDAA CC(C)c1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(S(=O)(=O)N(C)C)C3)no1 247981398 XSIPKRQYCRPLFA-OLZOCXBDSA-N 370.475 1.141 0 50 FDAA Cc1ccc(-c2nnn(C[C@H](O)COc3ccc4c(c3)OCO4)n2)cc1 142570487 DVULYAWZORQQJW-AWEZNQCLSA-N 354.366 1.817 0 50 FDAA CCCCN[C@@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(CC)cc1 19820895 YNILANWCUMEALI-CVEARBPZSA-N 359.513 1.578 0 50 FDAA CCNC(=O)CNC(=O)N[C@H](CC)[C@@H]1CN(Cc2ccccc2)CCO1 151510407 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Cn1nccc1[C@H](NC(=O)C[C@@H]1C(=O)Nc2cc(Cl)ccc21)C(=O)O 2325851971 OLMXLUUKWHHNOZ-HZMBPMFUSA-N 362.773 1.441 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)N(C)[C@H]2CCN(c3ccccc3)C2=O)C1 2325888602 JQNMZQNLHXOBDA-RDJZCZTQSA-N 355.438 1.675 0 50 FDAA Cc1cnc2c(cnn2CC(=O)Nc2cc(N3CCN(C)CC3)ccn2)c1 906628780 VYJADWYNIOBVGK-UHFFFAOYSA-N 365.441 1.525 0 50 FDAA COc1cc(OC)cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 1279751 CFENPTQQXDPEIC-UHFFFAOYSA-N 364.423 1.324 0 50 FDAA biogenic C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCCc1ccccc1 2866424 PZZYZZVGXFTNRD-CYBMUJFWSA-N 350.415 1.851 0 50 FDAA CCCCNC(NCCCC)=C(S(=O)(=O)CC)S(=O)(=O)CC 2923773 FNWHIVKHHPRKDH-UHFFFAOYSA-N 354.538 1.762 0 50 FDAA Cc1n[nH]c2ncc(NC(=O)Cc3csc(N4CCNC4=O)n3)cc12 225517630 PXPSJUMYXNGLGN-UHFFFAOYSA-N 357.399 1.434 0 50 FDAA COc1ccc(-c2n[nH]cc2CN2CCN(C)[C@H](C(=O)O)C2)cc1OC 106687837 QBRRNIVKQLZBKY-AWEZNQCLSA-N 360.414 1.295 0 50 FDAA Cc1ccc(CN2CCN(c3ncccc3C(N)=O)C[C@H]2CCO)cc1 106979260 MFORUZGRKXFPOF-QGZVFWFLSA-N 354.454 1.562 0 50 FDAA Cc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1 10110563 MPOOJCJVOSKZLE-UHFFFAOYSA-N 367.515 1.562 0 50 FDAA COc1ccc(-c2nnc3n(CC(C)C)c4c(=O)nc(O)n(C)c4n23)cc1 10964067 ASDLOULTLVQOLL-UHFFFAOYSA-N 368.397 1.815 0 50 FDAA CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cnc(-c2ccccc2)nc1 67587531 HSKVOQQPZKDEKC-IRXDYDNUSA-N 367.453 1.554 0 50 FDAA Cn1c(-c2cc3n(n2)CCCN(C(=O)[C@H]2C=CCN2)C3)nc2ccccc21 65393848 LFPYHDMXWBRZHX-MRXNPFEDSA-N 362.437 1.697 0 50 FDAA CCN(CC)CCN[C@@H]1CCc2c(c(C(=O)N3CCCCC3)nn2C)C1 20204590 MDWITJZWTTYYJT-MRXNPFEDSA-N 361.534 1.835 0 50 FDAA O=C1[C@@H](N2CCN(c3cccnn3)CC2)CCN1c1c(F)cccc1F 119977458 UUIQUZZIUMBAPG-HNNXBMFYSA-N 359.380 1.682 0 50 FDAA CN1CCC(n2nccc2NC(=O)c2cn(-c3ccccc3)nn2)CC1 1506425675 QOEXYZSWWBQWNQ-UHFFFAOYSA-N 351.414 1.983 0 50 FDAA Cc1ccc(C2(O)CCN(C(=O)c3nc(N)nc4c3CCCC4)CC2)nc1 67856141 YWXRQABCRZQBSG-UHFFFAOYSA-N 367.453 1.765 0 50 FDAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CNC(=O)NCC1CCCC1 252487625 ZQJXFZKGKISBCM-OAGGEKHMSA-N 365.474 1.809 0 50 FDAA 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O=C1CC[C@@H](CN(Cc2cccnc2)Cc2cn(-c3ccccc3)nn2)N1 72170349 HNBINELRBWQQSG-KRWDZBQOSA-N 362.437 1.943 0 50 FDAA Cn1c(S)nc2cc(C(=O)N[C@@H]3CCO[C@H](C4CC4)C3)ccc2c1=O 157028935 WYRZNNANMYHJMX-DOMZBBRYSA-N 359.451 1.910 0 50 FDAA O=C(NCc1ccccc1CN1CCC(O)CC1)[C@@H]1CC12CCNCC2 238159417 LVYSGFRZOWDCFD-IBGZPJMESA-N 357.498 1.649 0 50 FDAA CNC(=O)C(C)(C)CNC(=O)N1CCC(NC(=O)c2ccccc2C)CC1 130474588 VVSYLTKMERPPLV-UHFFFAOYSA-N 374.485 1.671 0 50 FDAA Cn1cccc1[C@@H]1COCCN1C(=O)CN1CCc2ccccc2C1=O 375757837 TVVSRPFXWMPEDV-SFHVURJKSA-N 353.422 1.624 0 50 FDAA COC(=O)c1ccc(N2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)nc1 77503355 WDFWMGAJYRUHFP-IBGZPJMESA-N 361.442 1.460 0 50 FDAA Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)N1CCN(c2ccccn2)CC1 285076455 POBWIRGSCAHQKH-CRAIPNDOSA-N 355.442 1.632 0 50 FDAA Cc1ccc2ncc(C(=O)N3CCOC[C@@H]3[C@@H]3CCC[C@H]3O)c(=O)n2c1 286091657 DLYKZLHIQUJTGJ-NUEKZKHPSA-N 357.410 1.005 0 50 FDAA CC(C)(C)c1noc(CCC(=O)N2CCN(C[C@H]3CCOC3)CC2)n1 178096873 JLQMLGAOQYJERP-CQSZACIVSA-N 350.463 1.480 0 50 FDAA 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359.426 1.251 0 50 FDAA O=C(NCCc1nc2ccccc2o1)[C@@H]1CC(=O)N(Cc2cccnc2)C1 299794090 IYSIVXUBLIFJRH-OAHLLOKOSA-N 364.405 1.930 0 50 FDAA COCC(=O)N1CC[C@@H](NC(=O)c2ccccc2-c2ccccc2)[C@H](O)C1 299773736 HRJPOACLSREDFP-RTBURBONSA-N 368.433 1.692 0 50 FDAA CCCNS(=O)(=O)c1ccc(NC(=O)N2CCNC(=O)[C@@H]2CC)cc1 299761824 ZVTQZYBXTXVNDJ-AWEZNQCLSA-N 368.459 1.117 0 50 FDAA CCOC(=O)[C@@H]1[C@@H](C(=O)OCC)C(=O)C(F)(F)CN1Cc1ccccc1 390822721 HXPWCBUJDZSZNB-KGLIPLIRSA-N 369.364 1.818 0 50 FDAA COc1ncnc(C)c1-c1cccc(C(=O)N[C@@H](C)Cn2cncn2)c1 584898421 XOALBLMTJIKCMG-LBPRGKRZSA-N 352.398 1.871 0 50 FDAA C=CC(=O)N(C)CC(=O)N1C[C@@H](O)C[C@H]1c1ccc(Br)cc1 1875370162 DMRKTSVPEOTOFX-KBPBESRZSA-N 367.243 1.728 0 50 FDAA O=C(N[C@@H](Cc1cn(Cc2cccs2)nn1)C(=O)O)c1cncs1 1875325422 XNYRXIYPPRJCRG-NSHDSACASA-N 363.424 1.270 0 50 FDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3ccccc3OCCO)nn(C)c21 1875402984 OHUIUEYAZUZMBJ-OLZOCXBDSA-N 359.426 1.743 0 50 FDAA Cc1ccn2cc(C(=O)N(C)C[C@H]3OCC[C@H]3c3n[nH]c(C)n3)nc2c1 952889324 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KPEOIIIEOPHZCW-UHFFFAOYSA-N 370.383 1.464 0 50 FDAA O=C(c1nnc(O)c2ccccc12)N1CCOc2ccc(CO)cc2C1 1506425778 RJWVBBVRPPQCSS-UHFFFAOYSA-N 351.362 1.863 0 50 FDAA CN(C)Cc1nc(C(=O)N2C[C@H](c3cccnc3)[C@@H](C(=O)O)C2)cs1 216362228 MWAYZKMZVIILJL-OLZOCXBDSA-N 360.439 1.540 0 50 FDAA O=C(N[C@H]1CCN(Cc2nc3c(s2)CCCC3)C[C@@H]1O)c1ccccn1 216937732 RYTXHKCUDAGCLW-BBRMVZONSA-N 372.494 1.782 0 50 FDAA Cn1nccc1C(=O)N1CCCN(C(=O)[C@H]2CCc3ccccc32)CC1 1704299075 NMGOAVPCANZXJY-KRWDZBQOSA-N 352.438 1.825 0 50 FDAA O=C(N[C@H]1COC[C@H]1Cc1ccnc2ccccc12)C(=O)N1CCCCC1 1704338562 VCRIRPZSXZFXPN-APWZRJJASA-N 367.449 1.921 0 50 FDAA O=C(CN1CCCCC1=O)N[C@H]1COC[C@@H]1Cc1ccnc2ccccc12 1616074490 ZHOLRCGVJGJEBM-LPHOPBHVSA-N 367.449 1.921 0 50 FDAA Cc1cc(C(=O)N2CCCN(C(=O)CCc3ccncc3)CC2)nn1C 1772708977 MAKWDHVZHMOKJZ-UHFFFAOYSA-N 355.442 1.431 0 50 FDAA O=C(CCc1ccc(F)c(F)c1)N1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1 12198150 YJICZWGBYMVESW-QZTJIDSGSA-N 368.424 1.316 0 50 FDAA CC(C)[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)N[C@@H](C)c3ccccc3)CN2C1=O 14743880 NXUOZNFOQDFMJH-TUUVXOQKSA-N 358.442 1.171 0 50 FDAA CCc1nnc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)s1 169772765 BZECUWUMRJPHLA-VIFPVBQESA-N 356.411 1.968 0 50 FDAA CC[C@@]12COC(=O)N1CCN(C(=O)C1CCN(Cc3ccco3)CC1)C2 1857680937 RUTFCTUBNWQDIG-LJQANCHMSA-N 361.442 1.935 0 50 FDAA O=C(NCCc1ccccc1)c1cn(CCNCc2cccnc2)nn1 12243108 SVCIVCKPZFUXNV-UHFFFAOYSA-N 350.426 1.435 0 50 FDAA CN(Cc1ccccc1Br)C(=O)CN1C(=O)[C@H]2C[C@@H]2C1=O 134796227 OWCHZYHKTRPVKK-QWRGUYRKSA-N 351.200 1.412 0 50 FDAA CN1C(=O)[C@H]2COC[C@@H]1CN(C(=O)CSc1ccc(Cl)cc1)C2 1704336299 LGTWBKQHZHOGKF-YPMHNXCESA-N 354.859 1.748 0 50 FDAA CCC[C@]1(C(=O)O)CN(S(=O)(=O)c2ccc(Cl)cc2)CC[C@H]1O 1704300040 XQSNFLGUBKTSBK-HIFRSBDPSA-N 361.847 1.966 0 50 FDAA CC(C)Cn1[nH]c(CC(=O)N2CCN(Cc3ccsc3)CC2)cc1=O 821488051 YRCAOUJZSDHZIJ-UHFFFAOYSA-N 362.499 1.781 0 50 FDAA CCCOc1nc2ccccc2cc1C(=O)N1CC(N2CC[C@@H](O)C2)C1 824018933 BXDHVANGHKTOAK-MRXNPFEDSA-N 355.438 1.915 0 50 FDAA CCn1nccc1S(=O)(=O)NC[C@@H]1CCCO[C@H]1c1nccn1C 858008696 VIZTVMKIHMDTFF-GXTWGEPZSA-N 353.448 1.083 0 50 FDAA O=C1CN(C[C@@H]2CCC[C@@H](NC(=O)c3cc4ccccc4cn3)C2)CCN1 2100473607 KVLIFTVCQOVQRY-CRAIPNDOSA-N 366.465 1.955 0 50 FDAA COCC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1 2325789110 PTGZXGQIPRQAGS-INIZCTEOSA-N 363.439 1.631 0 50 FDAA O=C(NC[C@@H](NC(=O)[C@H]1CN2CCC1CC2)C1CC1)c1occ2c1CCC2 2325793608 AKERDDBGRRQFDK-ZWKOTPCHSA-N 371.481 1.735 0 50 FDAA O=C(c1cnn(CCN2CCCCC2)c1)N1CC(F)(F)C[C@@H]1CCO 2325810891 MHBAOEOBGRSMRQ-HNNXBMFYSA-N 356.417 1.601 0 50 FDAA COC(=O)c1cn([C@@H]2CCCN(c3cc(=N)[nH]c4ccccc34)C2)nn1 2325822205 JIAMXMOKLHKIGL-GFCCVEGCSA-N 352.398 1.867 0 50 FDAA CC[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[C@H](NC(=O)/C=C/Cn1cncn1)C2 2325872684 JIYQTOJKCIRKHB-FCRAIWKWSA-N 357.458 1.376 0 50 FDAA O=C1CC[C@H](NC(=O)c2c3c(nc4ccc(Cl)cc24)CCC3)C(=O)N1 1857797909 DFUIKJWOSULARA-AWEZNQCLSA-N 357.797 1.912 0 50 FDAA O=C1C[C@H](N2CCN(c3ccccn3)CC2)C(=O)N1c1ccccc1F 971000 SCCLIEBPNOQSII-INIZCTEOSA-N 354.385 1.675 0 50 FDAA O=C(O)COc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 1063763 QFOGDPXSJFOQSE-UHFFFAOYSA-N 354.318 1.385 0 50 FDAA N=c1nc(CCNC(=O)c2ccc(-c3nccc4ncccc34)cc2)[nH][nH]1 2356139786 XVDOYGGGJCYRRA-UHFFFAOYSA-N 359.393 1.800 0 50 FDAA NC(=O)Cc1nc(-c2cccc3c2COC3)n(-c2ccc3c(c2)OCO3)n1 2356146498 ISOJHXCARNKKCM-UHFFFAOYSA-N 364.361 1.721 0 50 FDAA O=C([C@H]1Cc2ccccc2O1)N1CCc2nc(-c3cccnc3)nn2CC1 2356163879 VRPHRHVKQHLBLX-QGZVFWFLSA-N 361.405 1.729 0 50 FDAA O=C(O)[C@@H]1CCCN1C(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 4082209 QDLJHWPBPAZKHV-HNNXBMFYSA-N 357.362 1.736 0 50 FDAA biogenic COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc(C)c1 4839398 BISOOXPQVXENGW-AWEZNQCLSA-N 355.394 1.397 0 50 FDAA Cc1n[nH]c(C)c1CNC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O 55074562 MHJOBNKRNLRPSA-CYBMUJFWSA-N 350.444 1.497 0 50 FDAA C[C@H]1CC[C@@H](NC(=O)NCc2ccc(-n3ccnc3)nc2)CS1(=O)=O 853270287 QUDZVADBHQMMDM-GXTWGEPZSA-N 363.443 1.032 0 50 FDAA COc1cccc(CS(=O)(=O)N2CCC[C@H](CN3CCOCC3)C2)c1 117922018 POBFTBWNPIQBBB-QGZVFWFLSA-N 368.499 1.569 0 50 FDAA CNC(=O)CN(C)C(=O)c1coc(COc2ccc(F)cc2Cl)n1 67822040 IZNPSFJFYGWCFQ-UHFFFAOYSA-N 355.753 1.864 0 50 FDAA COc1ccc(S(=O)(=O)NCc2ccccn2)cc1N1CCCC1=O 20455795 BLWJVPSYSYRSLS-UHFFFAOYSA-N 361.423 1.696 0 50 FDAA CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)[C@@H]3C[C@H]3C)ccc21 250249916 RKJOLNLWQMGHBV-BXUZGUMPSA-N 351.424 1.781 0 50 FDAA Cc1ccc2[nH]c(=O)c(CN3CCCN([C@H]4COC[C@@H]4O)CC3)cc2c1 67696968 DTYFMHFFESKRLZ-OALUTQOASA-N 357.454 1.104 0 50 FDAA Cn1ncc(Br)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 2743617 FRXVZNNKMCXLFQ-UHFFFAOYSA-N 373.251 1.876 0 50 FDAA CCn1cc(NS(=O)(=O)c2c(C)n[nH]c2C)c(C(=O)NCC(C)C)n1 2804540 KRUDITIQWKLJPO-UHFFFAOYSA-N 368.463 1.430 0 50 FDAA Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(C(=O)c2cccnc2)C1 72421101 SFSPGUQXBCRVLU-MRXNPFEDSA-N 354.458 1.826 0 50 FDAA COCCNC(=O)C1CCN(C2CCN(Cc3cccc(C)n3)CC2)CC1 71714815 SSXZOFIEIRRMHZ-UHFFFAOYSA-N 374.529 1.829 0 50 FDAA O=C(CNC[C@@H]1CCCO1)N(Cc1nccs1)[C@H]1CC12CCNCC2 435570632 OMQIWXGUUXZZFZ-GJZGRUSLSA-N 364.515 1.382 0 50 FDAA O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)[C@@H]1CCc2nn[nH]c2C1 332773798 HGDWWRGBHUMUBQ-ATNYBXOESA-N 365.437 1.183 0 50 FDAA COc1cccc(-c2ccc(C(=O)N3CCNC[C@H]3C(=O)NC3CC3)o2)c1 72158995 HYDNGXYIZDZEIZ-INIZCTEOSA-N 369.421 1.648 0 50 FDAA C[C@H]1CN(C2CCN(C(=O)c3cc4c([nH]c3=O)CCC4)CC2)C[C@@H](C)O1 72418117 PXKJWMZLZUPIMH-OKILXGFUSA-N 359.470 1.577 0 50 FDAA C[C@@H](COc1ccccc1)NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 72140663 WADIBZUEUUZVIA-AWEZNQCLSA-N 369.487 1.089 0 50 FDAA CN1C(=O)[C@H]2CC[C@@H]1CN(Cc1ccc(OCCN3CCOCC3)cc1)C2 77299507 KMNVDXZLIZTONS-RBUKOAKNSA-N 373.497 1.450 0 50 FDAA Cc1nc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)nc2c1CCCC2 215598207 MDYSJYDLDLHZGC-UHFFFAOYSA-N 374.466 1.284 0 50 FDAA Cc1ccc(N2CCC(c3nnc(CN4CCOCC4)n3C)CC2)nn1 77376847 XCNPSVQOXODTBP-UHFFFAOYSA-N 357.462 1.130 0 50 FDAA COc1cc(CC(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3C)cc(OC)c1OC 216372608 QXIQTFNFJLZAPU-KGLIPLIRSA-N 362.426 1.334 0 50 FDAA COc1ccccc1S(=O)(=O)N1CCC2(CC1)C[C@H](C(=O)O)N(C)C2 72161042 ZEZLMKNQZPTBKW-CYBMUJFWSA-N 368.455 1.255 0 50 FDAA COC(=O)CN1CCC(Nc2nc(C(C)(C)C)nc3c2cnn3C)CC1 72152972 ZXHBBAMSMSQWNQ-UHFFFAOYSA-N 360.462 1.710 0 50 FDAA Cn1cc([C@H](NC(=O)N2CCC(n3cnnc3O)CC2)C(F)(F)F)cn1 375460272 NOHVFQBHVGYFNW-NSHDSACASA-N 373.339 1.367 0 50 FDAA O=C(C[C@H]1COCCN1C(=O)Cc1ccc(F)cc1F)NC1CCC1 72408888 HYVSAFDXDPBFPK-HNNXBMFYSA-N 352.381 1.794 0 50 FDAA CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCCN2CC=CCC2)c1 241466103 NUVXDACEGPBPTN-UHFFFAOYSA-N 365.499 1.707 0 50 FDAA Cc1cc2c(cc1C(=O)NCc1cc(N3CCOCC3)ncn1)OCCO2 72429818 QSQUGZKUSQPCCY-UHFFFAOYSA-N 370.409 1.323 0 50 FDAA Cc1cccn2c(CN3CCC[C@@H]3C(N)=O)c(C(=O)N3CCCCC3)nc12 71746471 VUBMFZOURKYNFY-OAHLLOKOSA-N 369.469 1.719 0 50 FDAA COc1cccc(-c2ccc(C(=O)N3CCNC[C@@H]3C(=O)NC3CC3)o2)c1 72158994 HYDNGXYIZDZEIZ-MRXNPFEDSA-N 369.421 1.648 0 50 FDAA O=C(c1cc(=O)[nH]c2ccc(F)cc12)N1CCO[C@H](C(=O)N2CCCC2)C1 72431151 XNGZROSWSXYJNO-INIZCTEOSA-N 373.384 1.131 0 50 FDAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)C1(c2ccccc2)CCN(C)CC1 223581902 NBGINTUWCZRXCX-MANSERQUSA-N 358.482 1.816 0 50 FDAA O=C1NC[C@H](C(=O)N2CCN(c3ccccc3-c3ccccc3)C(=O)C2)N1 82087174 DGMDLGQHWRUXIM-MRXNPFEDSA-N 364.405 1.210 0 50 FDAA Cc1nc(C2CCN(C(=O)NCCCCCN3CCOCC3)CC2)n[nH]1 426640522 PRDOHXRBEYWSHQ-UHFFFAOYSA-N 364.494 1.505 0 50 FDAA COc1cccc(C(=O)N2CCC3(CC2)C[C@@H](C(=O)O)N(C(C)=O)C3)c1C 82138571 BMACNNJXRPRLTG-INIZCTEOSA-N 374.437 1.931 0 50 FDAA N[C@H]1CCN(C(=O)c2cccc(-c3ccc(C(=O)N4CCOCC4)o3)c2)C1 426733947 COVKPQYFVIBDID-INIZCTEOSA-N 369.421 1.592 0 50 FDAA Cc1ccc2nsnc2c1NC(=O)N1CCN(CCOCCO)CC1 426723814 CKBQGLYYOABUBQ-UHFFFAOYSA-N 365.459 1.158 0 50 FDAA Cn1ccnc1C1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1 92037652 CWKCSNQAJJNLIY-INIZCTEOSA-N 367.453 1.570 0 50 FDAA CCOC(=O)c1cnn2cc(CN3C[C@@H](N(C)C)[C@H](C(C)C)C3)cnc12 91895469 USAKEWADKOGJRR-DLBZAZTESA-N 359.474 1.924 0 50 FDAA O=C1CCCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(Cn2cccn2)on1 293518891 YTALYUBXDOEDRH-HOCLYGCPSA-N 358.398 1.520 0 50 FDAA CCn1ccnc1C1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 97475631 VVSBYEBATPAQND-INIZCTEOSA-N 361.490 1.019 0 50 FDAA CCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2noc(C(C)C)n2)[C@@H]3C1=O 95381157 CTPJFBJSPOMHRT-FIIQBIKZSA-N 374.441 1.343 0 50 FDAA Nc1nnc(CCNc2nc3c(c(=O)[nH]2)Cc2ccccc2OC3)s1 95502989 ACUOFLCSCHOOHH-UHFFFAOYSA-N 356.411 1.341 0 50 FDAA Cc1c(C(=O)NC[C@@H]2CCCNC2)nnn1-c1cccc2ncccc12 237805118 NAAWIRVGTXTFIF-CQSZACIVSA-N 350.426 1.853 0 50 FDAA COc1cc(N2CCC[C@@H](c3nnc(Cn4ccnc4C)n3C)C2)ncn1 95389359 PHNWMKHFHHNMDO-CQSZACIVSA-N 368.445 1.551 0 50 FDAA Cc1cc(OC(F)F)ccc1NC(=O)NCCN1CCC[C@H](C(N)=O)C1 97521921 IAMGTPILKYTBFJ-LBPRGKRZSA-N 370.400 1.915 0 50 FDAA CN1CCN(Cc2nnc(C3CCN(Cc4ccncc4)CC3)n2C)CC1 96132850 FMNGZHARHBBRGQ-UHFFFAOYSA-N 369.517 1.337 0 50 FDAA Cc1ccc(CSc2nc(N)cc(N3C[C@@H](CO)[C@H](CO)C3)n2)cc1 95368875 WWNUSZURSHFEDG-GJZGRUSLSA-N 360.483 1.697 0 50 FDAA CCc1nc(C)c(CC(=O)N2CCC3(CC2)OCCC[C@@H]3OC)c(=O)[nH]1 95384020 FSJGHFWBGZVUJP-HNNXBMFYSA-N 363.458 1.370 0 50 FDAA COc1ccccc1-c1noc(CCC(=O)NCc2nnc(N)s2)n1 244817143 SUWHYYMSFNLPHL-UHFFFAOYSA-N 360.399 1.428 0 50 FDAA C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CCO[C@H](CC(=O)O)C2)CC1=O 269031704 MWQBFVKKIOHRJN-FVQBIDKESA-N 360.410 1.298 0 50 FDAA CC[C@]1(C(N)=O)CCCN(Cc2cc(O)c3cc(C(N)=O)ccc3n2)C1 253537048 VUHJPDCSATZQDS-IBGZPJMESA-N 356.426 1.517 0 50 FDAA CCn1cc(NS(=O)(=O)c2cc(CC(=O)O)ccc2OC)ccc1=O 299158376 PSTYQCYZQCSBAL-UHFFFAOYSA-N 366.395 1.305 0 50 FDAA CCOC(=O)C1CCN(C(=O)C[C@@H](C)NCc2nnc3ccccn23)CC1 183815818 BCFLXZAQFXLUMH-CQSZACIVSA-N 373.457 1.399 0 50 FDAA COc1ccc(CN2C(=O)[C@@H](CC(=O)NCc3cccnc3)N=C2O)cc1 252537783 MIHDCBCWCHQJBW-MRXNPFEDSA-N 368.393 1.422 0 50 FDAA Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N(C)CC(=O)O)CCCC2)c1 299751301 QFWKVOJJMWTJIA-UHFFFAOYSA-N 353.440 1.933 0 50 FDAA Cc1ccc(C2(O)CCN(C(=O)N[C@@H](C)CN3CCOCC3)CC2)nc1 534586250 DCXXRYIBNWBPCN-INIZCTEOSA-N 362.474 1.104 0 50 FDAA O=C(N[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cnc2ccccn2c1=O 373969635 GKCSPRKGDSOSGO-OAHLLOKOSA-N 362.389 1.225 0 50 FDAA Cc1ccc(C(=O)N2CCCN(S(=O)(=O)N3CCCC3)CC2)c(C)n1 299781881 XRWRROMQNRYZNL-UHFFFAOYSA-N 366.487 1.187 0 50 FDAA O=C(NCCc1nc(Cc2ccccc2)no1)[C@@H]1CCCCn2nnnc21 299797313 NKTQRYHGFPNDHW-CQSZACIVSA-N 367.413 1.273 0 50 FDAA COc1ccc(C[C@H](N)C(=O)NCc2nncn2C2CCCCC2)cc1 824673632 DMRNLFSNPUSDBS-KRWDZBQOSA-N 357.458 1.978 0 50 FDAA O=S(=O)(NCCN1CCCC[C@@H]1CO)c1ccc2nc(O)sc2c1 670449460 PMSGHIVPLLDCLK-LLVKDONJSA-N 371.484 1.127 0 50 FDAA COCCn1cnnc1[C@H](C)NC(=O)c1nc2ccc(Cl)cn2c1F 670461668 GCFKXGVDTXHEBC-VIFPVBQESA-N 366.784 1.856 0 50 FDAA C=CC(=O)NCC(=O)N1CCC[C@H](c2ncc(Br)cn2)C1 1875371684 IXWOVPRMWIMNIS-JTQLQIEISA-N 353.220 1.247 0 50 FDAA Cc1cccn2c(CC(=O)N(C)[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4C)C3)cnc12 1875326744 TWIKLVDNHGJYGU-BFYDXBDKSA-N 354.454 1.901 0 50 FDAA CC(=O)Nc1nc(C(=O)NCCN(C)C(=O)c2sccc2C)cs1 1875308900 GSYJKALVMNQXBQ-UHFFFAOYSA-N 366.468 1.973 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)NC[C@@](C)(O)c2ccc(F)cc2F)C1 1875371411 ZINPWKGYJHAOLQ-KPZWWZAWSA-N 352.381 1.713 0 50 FDAA C[C@@H]1CN(C(=O)c2cc(-c3ccco3)n3cnc(C(N)=O)c3n2)[C@H](C)CO1 1875350683 XCDPLZQGWPHDGN-GHMZBOCLSA-N 369.381 1.338 0 50 FDAA CCc1nc(=N)[nH]c(=N[C@@H]2CCCC23CCN(C(=O)[C@H]2C[C@@H]2C)CC3)[nH]1 1875407862 JFTJPAKRHNUVLI-MELADBBJSA-N 358.490 1.498 0 50 FDAA O=C(N[C@@H]1COCCN(C(=O)c2ccc3c(c2)CC3)C1)c1ccns1 1875407429 ZTBWNFIAGLSDNL-HNNXBMFYSA-N 357.435 1.513 0 50 FDAA Cn1nccc1[C@H]1C[C@H](Nc2nc3ccccc3n3nnnc23)CCO1 894099316 PSWBNKQFRPNZHA-IAQYHMDHSA-N 350.386 1.738 0 50 FDAA NC[C@@H]1CN(C(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)CCO1 274791738 NDEVTVQUNLHAFY-SNVBAGLBSA-N 372.322 1.830 0 50 FDAA CCC[C@]1(COC)CCCN1C(=O)c1ccc(S(=O)(=O)NC)nc1 278163720 ZOVUQQBQABYKOF-MRXNPFEDSA-N 355.460 1.411 0 50 FDAA CC1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)C1 170617803 TYEDFBICNBCLKE-ZDUSSCGKSA-N 372.874 1.889 0 50 FDAA COC[C@H]1[C@@H](NC(=O)c2cc(-c3ccccc3OC)[nH]n2)[C@H]2CCO[C@H]21 1074584788 HMCXRYRYRPSGHN-XLQHLMKVSA-N 357.410 1.865 0 50 FDAA O=C(NCc1ccc(-n2cncn2)cc1)[C@H]1COCCN1C1CCCC1 189145902 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1.721 0 50 FDAA COc1ccc(CNC(=O)Cn2nnc(-c3ccc(OC)cc3)n2)cc1 4855515 QSRVVGMZEXYIOK-UHFFFAOYSA-N 353.382 1.674 0 50 FDAA O=C(NCCO)c1cn([C@H]2CC[C@@H](NC3Cc4ccccc4C3)CC2)nn1 1857667973 SBXUYTOBIGWKHZ-MAEOIBBWSA-N 369.469 1.241 0 50 FDAA O=C(N[C@@H]1CN2CCCC[C@]2(C(=O)NC[C@@H]2CCCO2)C1)c1cccnc1 1857685351 SAQDUYSWIPNOHQ-ABSDTBQOSA-N 372.469 1.104 0 50 FDAA COC(=O)c1cncc(N2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)n1 1857721238 GGIKTQUIQNZSHT-RDTXWAMCSA-N 364.405 1.851 0 50 FDAA O=C(N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1)c1cnc2cccnn12 1857733942 GSCMADQQZLFUHI-SOLBZPMBSA-N 363.421 1.674 0 50 FDAA Cc1c(C(=O)N[C@H]2C[C@H]3CO[C@H](C(C)C)CN3C2)cnn1-c1ccccn1 1875241396 CNMBRLVZOQXIAO-BQFCYCMXSA-N 369.469 1.803 0 50 FDAA CCOCC(=O)NC[C@H]1[C@H]2CN(c3cc(C)cc(C)n3)C[C@]23CC[C@H]1O3 1875244491 MGPKXFGWOVPASW-TVKQPGBESA-N 359.470 1.835 0 50 FDAA Cc1cc(Cl)ccc1OCC(=O)N1CCc2nc(C(N)=O)cn2CC1 1875247177 SEHNLRLWDHRBLQ-UHFFFAOYSA-N 362.817 1.408 0 50 FDAA CNC(=O)c1ccc([C@@H]2CCCCN2CCC(=O)N2CCOCC2)n1C 328624275 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COc1cccc(CN2CCOC[C@H](O)C2)c1OCCCn1ccnc1 77538316 VTUHFHJKAHBXDL-QGZVFWFLSA-N 361.442 1.554 0 50 FDAA COc1ccc(CN2CCN(C(=O)c3cc[nH]n3)C[C@@H]2CCO)c(F)c1 72479950 CKXLSCCYGKYZLS-AWEZNQCLSA-N 362.405 1.266 0 50 FDAA Cn1cc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c(C(=O)NCc2ccco2)n1 6828056 QFQVMTZFXDUDQI-STQMWFEESA-N 374.397 1.773 0 50 FDAA CCc1cnc(N2CCN(CCCN3C(=O)NC(C)(C)C3=O)CC2)s1 331418427 QLTOQZXEAFIRLO-UHFFFAOYSA-N 365.503 1.548 0 50 FDAA Cc1ccc(CN2CCN(Cc3cccnc3)[C@H]3CS(=O)(=O)C[C@H]32)o1 72425055 AXRVEOXIJRJYNM-ZWKOTPCHSA-N 361.467 1.466 0 50 FDAA COc1ccc(CCC(=O)N2CCc3[nH]nc(C(=O)O)c3C2)cc1OC 215241894 RXIYVUMBWAKLHJ-UHFFFAOYSA-N 359.382 1.643 0 50 FDAA Cn1cc(Oc2ccccc2C(=O)N2CCO[C@H](c3ncon3)C2)cn1 367274462 MOYCCYUVZZCIKZ-HNNXBMFYSA-N 355.354 1.809 0 50 FDAA CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1cn(C2CCNCC2)nn1 236891938 KJECLEXQOMFRJW-GOSISDBHSA-N 357.458 1.707 0 50 FDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCC2CC2)c(C)c1C 72157943 SVYLPAHURQQEAM-QGZVFWFLSA-N 359.470 1.529 0 50 FDAA CCn1cc(S(=O)(=O)N2CC[C@@H](Cc3ccc(C(=O)O)cc3)C2)cn1 72409277 KRIHIWMDPIUGJC-AWEZNQCLSA-N 363.439 1.855 0 50 FDAA CCc1ccc2occ(CC(=O)N3CCNC[C@@H]3C(=O)N3CCCC3)c2c1 72124228 QKTVOTJDYDBLJR-GOSISDBHSA-N 369.465 1.961 0 50 FDAA NC(=O)c1cccnc1N1C[C@H]2[C@@H](C1)OC(=O)N2CCc1ccc(F)cc1 71746995 HZVJHPORYKZYDD-JKSUJKDBSA-N 370.384 1.572 0 50 FDAA COc1nccnc1N1CCC(c2nnc(CN3CCCC3)n2C)CC1 77288046 DYBVKIGPNIPMNY-UHFFFAOYSA-N 357.462 1.594 0 50 FDAA CC(C)Sc1nnc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)s1 72437789 OZLDPHMSRCJUKV-SECBINFHSA-N 364.518 1.649 0 50 FDAA Cc1ncc(CC(=O)N[C@H]2CCCN(CCc3ccccc3)C2)c(=O)[nH]1 72166316 UYILDCJUTRSWHP-SFHVURJKSA-N 354.454 1.444 0 50 FDAA COCCS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2C(=O)O)cc1 262575185 OANAKWZCMPXGGK-CQSZACIVSA-N 355.412 1.186 0 50 FDAA CC(C)c1cc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)nc2ncnn12 216170802 JTXDGONSQQSTBK-ZDUSSCGKSA-N 366.429 1.437 0 50 FDAA COc1ccc(CC(=O)N2CCn3nc([C@H](O)C4CC4)cc3C2)cc1OC 219872098 YNJYYYZPLQPAOP-HXUWFJFHSA-N 371.437 1.929 0 50 FDAA O=C([C@@H]1CC2(CCNCC2)CN1)N1CCC(c2nnc3ccccn23)CC1 72164860 QAAVJSWYOFDBND-INIZCTEOSA-N 368.485 1.167 0 50 FDAA C[C@@H]1CN(CCN2CCOC[C@H]2c2ncn(Cc3ccccc3)n2)CCO1 284830050 RPVOBKNXLRGECL-MJGOQNOKSA-N 371.485 1.420 0 50 FDAA C[C@H]1CC[C@@H](C(=O)O)CN1C(=O)CCNS(=O)(=O)c1ccccc1 263273281 WGSDLBBOLOUZPZ-QWHCGFSZSA-N 354.428 1.067 0 50 FDAA O=C(CCc1cc2n(n1)CCCNC2)Nc1cccc(C2=NCCN2)c1 72456880 KWMGWCPOCOBENJ-UHFFFAOYSA-N 352.442 1.298 0 50 FDAA COc1ccc(C(=O)N2CCN(CC=C(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)o1 72462652 PNAMJKREVAJVOI-KGLIPLIRSA-N 368.455 1.178 0 50 FDAA Cc1nc2c(s1)CCC[C@H]2NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 220654376 GGDYSMCKKZKIJO-LLVKDONJSA-N 356.407 1.789 0 50 FDAA Cc1nc(N2CCCCC2)ncc1C(=O)NCc1cc2n(n1)CCCNC2 82134211 IDDMTRSXGRBREA-UHFFFAOYSA-N 369.473 1.395 0 50 FDAA Cc1c(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)n(C)c2ccc(F)cc12 426376583 WDDKFIXMNYRAIR-NSHDSACASA-N 353.419 1.376 0 50 FDAA CC(C)c1cc(C(=O)N2CCN(Cc3ccccc3)C[C@H]2CO)n(C)n1 82108940 NYRFISVTOQOYRY-KRWDZBQOSA-N 356.470 1.862 0 50 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CN1CC[C@]2(CCC1=O)CN(C(=O)Nc1ccc3c(c1)OCO3)CCN2C 95379513 MUPCHRYZGPIBDA-LJQANCHMSA-N 374.441 1.576 0 50 FDAA CNC(=O)c1ccc(-c2ccc(C(=O)N3CCO[C@H](CCN)C3)cc2)s1 426567155 VNWRJQFPHKGWEI-OAHLLOKOSA-N 373.478 1.965 0 50 FDAA Cc1ncnc(N2CCN(Cc3cnc(N4CCOCC4)s3)CC2)c1C 97527829 LKJAQMIQBQCQGU-UHFFFAOYSA-N 374.514 1.709 0 50 FDAA O=C(NCCS(=O)(=O)N1CCCC1)c1ccc([C@H]2CCCO2)s1 91943795 QFOIXWIBJKUFML-GFCCVEGCSA-N 358.485 1.755 0 50 FDAA CCNC(=O)[C@H]1CCN(C(=O)Nc2cc(-c3nnn(C)n3)ccc2C)C1 97575059 XXWMLJYJSLZLGZ-ZDUSSCGKSA-N 357.418 1.175 0 50 FDAA CN1C(=O)[C@@H](CC(=O)NCCc2nc(-c3ccccc3)cs2)N(C)C1=O 91914884 MNQJOVMUUCYELB-CQSZACIVSA-N 372.450 1.751 0 50 FDAA COc1ccc2c(c1)OC[C@H](C(=O)N1CCN(c3ccccn3)CC1)C2 91651565 TXDXDZIIEDURIN-MRXNPFEDSA-N 353.422 1.990 0 50 FDAA O=C1C[C@H](C(=O)N2CC(Oc3ccccc3F)C2)CN1Cc1ccncc1 95498882 HTPYSDPWXKONNX-HNNXBMFYSA-N 369.396 1.859 0 50 FDAA CC1(C)SC[C@@H](C(=O)N2CCC(OCc3cccnc3)CC2)NC1=O 95354248 KUMONODPOSKNRT-HNNXBMFYSA-N 363.483 1.599 0 50 FDAA 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368.411 1.658 0 50 FDAA COc1ccc2oc(C)c(C(=O)NS(=O)(=O)Cc3ccon3)c2c1 170649815 LXTRMHANIOVVII-UHFFFAOYSA-N 350.352 1.998 0 50 FDAA CCS(=O)(=O)NC1CCN(C(=O)[C@@H](C)Cc2cccc(F)c2)CC1 195085964 GOXMEHQXBKCVTH-ZDUSSCGKSA-N 356.463 1.935 0 50 FDAA Cc1cc(Cl)ccc1OCC(=O)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1529189080 FJGGZBAGPHWZBV-CZUORRHYSA-N 361.829 1.879 0 50 FDAA Cc1ccc(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1Cl 1704339979 ALXJDVCXQJYASH-JSGCOSHPSA-N 360.863 1.285 0 50 FDAA CN1CCC[C@]2(CO)CCN(C(=O)CCc3nc4ccc(F)cc4[nH]3)C[C@@H]12 1704297377 PAEKWDXJHWERRZ-YLJYHZDGSA-N 374.460 1.940 0 50 FDAA O=C(CN1CCOc2ccccc2C1)N1C[C@H](Cc2ccccn2)[C@@H](O)C1 1616075726 DHNIZFHAAOQDMJ-HKUYNNGSSA-N 367.449 1.338 0 50 FDAA O=C1CO[C@@]2(CCN(C(=O)CC3CCN(Cc4ccccc4)CC3)C2)CN1 1772813378 YWLRESGFFZUIMP-NRFANRHFSA-N 371.481 1.406 0 50 FDAA CC1=NN(Cc2ccccc2F)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C 5148008 DGGMUKMOKPVZBL-LLVKDONJSA-N 370.388 1.530 0 50 FDAA COC(=O)CCC(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 11951054 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Cc1cccc(-c2ncc(CN3C[C@H](O)[C@@H](N4CCOCC4)C3)cn2)c1 20997878 FDZAGVDLNOSQMM-OALUTQOASA-N 354.454 1.329 0 50 FDAA CCn1nc(C)c(NC(=O)CN2CCC([C@@H](O)c3nccn3C)CC2)c1C 65387225 ROAHTQMNUSGXLY-GOSISDBHSA-N 374.489 1.637 0 50 FDAA O=C(NC[C@@H](c1cccnc1)N1CCOCC1)c1n[nH]c2c1CCCC2 62370162 AEYPNNJERSKITK-KRWDZBQOSA-N 355.442 1.487 0 50 FDAA O=S(=O)(NCCNc1cc(-n2cccn2)ncn1)c1cccc(F)c1 65362672 GCZMDJZXTBXQNU-UHFFFAOYSA-N 362.390 1.192 0 50 FDAA O=C(C[C@H]1CCS(=O)(=O)C1)N1CCCN(Cc2ccc(F)cc2)CC1 73841150 JZVNMPVLKPQSNV-MRXNPFEDSA-N 368.474 1.685 0 50 FDAA O=C(NCCSCc1ccccc1F)C(=O)N1CCC[C@H](CO)C1 253404308 IWKSAGZUTDOCPE-ZDUSSCGKSA-N 354.447 1.406 0 50 FDAA CCNC(=O)[C@H]1CCN(C(=O)c2coc(COc3cccc(F)c3)n2)C1 67909413 LONCFWVVKGDCSK-LBPRGKRZSA-N 361.373 1.991 0 50 FDAA COCCn1cc(CN2CCC[C@@H](N(C)Cc3noc(C)n3)CC2)cn1 364662127 KMFBURPXVWGUOM-QGZVFWFLSA-N 362.478 1.707 0 50 FDAA COC1CCN(c2nc(N)nc3c2CCN(c2cnccn2)CC3)CC1 72419221 ILZVBIJTCYRSKV-UHFFFAOYSA-N 355.446 1.069 0 50 FDAA 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354.472 1.431 0 50 FDAA Cc1cc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)c(C)o1 91690918 AGRGOYJOORFQCM-MJGOQNOKSA-N 363.502 1.747 0 50 FDAA COCCn1nnnc1[C@H]1CN(c2nc(C)nc3ccsc23)CCO1 91965176 UOMWSCLVHOYODO-GFCCVEGCSA-N 361.431 1.211 0 50 FDAA CSc1ncccc1C(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2 91305100 GOGSFLDLDSCZKH-UHFFFAOYSA-N 374.470 1.427 0 50 FDAA CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C(=O)O)c2ccccc2)CC1=O 269084955 KZCITJDEYIUTPI-LZLYRXPVSA-N 373.453 1.261 0 50 FDAA CN1C(=O)NC(=O)[C@]2(Cc3cc(C(F)(F)F)ccc3N3CCC[C@H]32)C1=O 248030768 KWLFSYNRWIXMLB-BLLLJJGKSA-N 367.327 1.925 0 50 FDAA CNC(=O)C(C)(C)N(C)Cc1ccccc1OCCN1CCN(C)CC1 243901471 BBSSSVBIXPNVEX-UHFFFAOYSA-N 362.518 1.269 0 50 FDAA CN(C)Cc1nc(C(=O)N[C@@H](Cc2ccncc2)[C@H]2C[C@@H](O)C2)cs1 244594328 DLBCLGKQGLXIGO-ZNMIVQPWSA-N 360.483 1.712 0 50 FDAA COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N2CC[C@@H](C(=O)O)C2)cc1 299743467 NQEYTIJVZLOOBB-VXGBXAGGSA-N 355.412 1.038 0 50 FDAA COc1ccc(C(=O)N[C@@H](c2cnn(C)c2)[C@H]2C[C@H](O)C2)c(F)c1F 252540048 ORNXPZXNMOWCMF-ZYSBLVPFSA-N 351.353 1.949 0 50 FDAA CN1CCN(S(=O)(=O)NCC2(c3ccc(F)cc3)CCCC2)CC1 534647967 OGAQFHWLXCFYIW-UHFFFAOYSA-N 355.479 1.719 0 50 FDAA O=C(O)c1ccc(CN2CCn3nc(CNc4cnccn4)cc3C2)cc1 299760197 SRKYFSKPWJOPDC-UHFFFAOYSA-N 364.409 1.999 0 50 FDAA O=C(c1ccccc1-c1ncc[nH]1)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 299787152 ZLHOVTQTJXBQLY-HOTGVXAUSA-N 350.382 1.654 0 50 FDAA Cc1[nH]c(-c2ccccc2)nc1C(=O)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 299790195 AULYVRIWFFKEND-HOTGVXAUSA-N 364.409 1.963 0 50 FDAA COc1c2c(c(Br)c3c1[C@@H](CC(N)=O)N(C)CC3)OCO2 824528198 DWTJLKWXSTXANA-MRVPVSSYSA-N 357.204 1.591 0 50 FDAA biogenic CCn1ccc(-c2nc(CC(N)=O)nn2-c2cc(C)cc(C)c2)cc1=O 823588044 VZMFNKQLWTZGAZ-UHFFFAOYSA-N 351.410 1.761 0 50 FDAA COc1cccc([C@H]2CCCCN2C(=O)NCCN(C)S(C)(=O)=O)c1 584897668 FUUWXGRTJLORJU-MRXNPFEDSA-N 369.487 1.823 0 50 FDAA COc1ccc2c(c1)[C@@H](NC(=O)NCCNS(C)(=O)=O)CC(C)(C)O2 584893482 VDDUFBOXYCNCFZ-ZDUSSCGKSA-N 371.459 1.146 0 50 FDAA COCCN1CCC[C@@H](CNC(=O)C2CCN(C3CCOCC3)CC2)C1 670453169 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1857709082 DIJUGPWTYUCFLW-LLVKDONJSA-N 362.459 1.373 0 50 FDAA CN(C)C[C@@H]1OCCN(C(=O)Cc2ccc(O)cc2)[C@H]1c1cnn(C)c1 1857715097 BEXFFSZHFLPDTR-HKUYNNGSSA-N 358.442 1.199 0 50 FDAA Cc1ncc(S(C)(=O)=O)c(N[C@H]2C[C@H]3CO[C@H](C(C)C)CN3C2)n1 1857724782 CKNXXXJXEYEANP-IHRRRGAJSA-N 354.476 1.098 0 50 FDAA CN(C)S(=O)(=O)N1CCC2(CCc3c(O)nc(C4CC4)nc32)CC1 1857738259 ZEUGZASABVYQGN-UHFFFAOYSA-N 352.460 1.146 0 50 FDAA O=C(NC[C@H]1CCN(C(=O)c2ccc3nc[nH]c3c2)C[C@@H]1O)c1ccco1 215385731 NIRSSERQOZKJSF-CJNGLKHVSA-N 368.393 1.409 0 50 FDAA C[C@H]1C[C@@H](C)CN(CCCNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)C1 4687782 ZKDNTHTXBSBRKO-OWCLPIDISA-N 359.536 1.142 0 50 FDAA CS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3ccccc3)CC2)C1 4748626 QOIPBAKKZHWZNJ-HNNXBMFYSA-N 351.472 1.007 0 50 FDAA C[C@H](C(=O)N1CCO[C@@H](CN(C)CC(=O)O)C1)c1cc2ccccc2o1 328632025 LDAVTVOBHAJOEI-ZFWWWQNUSA-N 360.410 1.780 0 50 FDAA COc1cccc(CNC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)c1OC 328618367 DRMMFTLWOIBVIN-KBXCAEBGSA-N 358.442 1.747 0 50 FDAA 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365.455 1.032 0 50 FDAA COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)C1Cc2ccccc2C1 129478905 GEPLVRWLKUYNQV-OAHLLOKOSA-N 362.455 1.346 0 50 FDAA Cc1ccc(N2CCN(C(=O)c3c[nH]nc3[C@H]3CCOC3)CC2=O)cc1 376013754 PIFZREZZAUVGKT-AWEZNQCLSA-N 354.410 1.711 0 50 FDAA CS[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc3nc(O)nc(O)c3c2)C1 265330916 MRIYVAMFWRXVON-ZJUUUORDSA-N 369.468 1.994 0 50 FDAA Cc1cc(C2CN(C(=O)CN3C(=O)COc4ccc(Cl)cc43)C2)no1 2325791249 GPDBICQSNSNXMW-UHFFFAOYSA-N 361.785 1.988 0 50 FDAA O=C(NC1CCN([C@@H]2COC[C@H]2O)CC1)[C@@H]1C[C@H]1c1ccc(F)cc1F 2325811025 YLPSWXKUMZLIDC-BURFUSLBSA-N 366.408 1.409 0 50 FDAA O=C(c1c[nH]c2ccncc2c1=O)N1CCN[C@H](c2ccc(F)cc2)C1 2325860010 UHRLRVXIOGMYGR-KRWDZBQOSA-N 352.369 1.849 0 50 FDAA O=C(c1cc(=O)c2c(O)cccc2o1)N1CC(O)(c2ccccc2F)C1 2325875885 DTHJWUGCZRUMLO-UHFFFAOYSA-N 355.321 1.981 0 50 FDAA CC1(C(=O)Nc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)CCCC1 2325887994 IGBXRGVDJXVHTK-HNNXBMFYSA-N 369.421 1.966 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)C1 2325888753 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O=C(Cn1nc2c(cc1=O)CCCCC2)N[C@H](Cc1ccccc1)C(=O)O 67640877 XXNWYOHPHXHNNM-QGZVFWFLSA-N 369.421 1.324 0 50 FDAA Cn1cc(Br)c(C(=O)N2N=C(C(F)F)C[C@]2(O)C(F)F)n1 1016010 XTJINYRXIVFLJI-JTQLQIEISA-N 373.104 1.603 0 50 FDAA O=C(OCCOCCO)c1ccc(O)c(I)c1 5046456 TUSXTKOZQDSZPC-UHFFFAOYSA-N 352.124 1.163 0 50 FDAA Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCCN(C(=O)C(C)(C)C)C1 72411627 LMROTFNXCWPSOX-AWEZNQCLSA-N 363.506 1.524 0 50 FDAA Cn1nccc1N1CCC[C@@H](NS(=O)(=O)C2Cc3ccccc3C2)C1=O 328610137 GOEBDGZOPMDJRC-MRXNPFEDSA-N 374.466 1.002 0 50 FDAA Cc1c([C@H]2[C@H](CNCc3cccc4c3OCO4)CC(=O)N2C)cnn1C 328633388 SPAYXTDOCASFHY-KBXCAEBGSA-N 356.426 1.766 0 50 FDAA O=C(Cn1cccnc1=O)N1CCC(N2CCc3ccccc3C2)CC1 329271897 HQYBAFLSRCGDNU-UHFFFAOYSA-N 352.438 1.293 0 50 FDAA CCCc1cc(C(=O)N2CCc3c(nc(N(C)C)nc3N(C)C)C2)n[nH]1 71745547 GYRYOSLLXMFOMZ-UHFFFAOYSA-N 357.462 1.483 0 50 FDAA CC[C@H](c1ccc(F)cc1F)N1CCN(Cc2nc(=O)n(C)[nH]2)CC1 329628243 VTMCTENWAHWYLK-OAHLLOKOSA-N 351.401 1.656 0 50 FDAA 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72167977 FVHIFGBUQXXYNI-KRWDZBQOSA-N 363.458 1.261 0 50 FDAA O=C(c1ccc[nH]1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCCn2ccnc2)C1 72457586 LXUXUGCJXZYXAX-DOTOQJQBSA-N 355.442 1.755 0 50 FDAA C[C@@H]1CCCN(Cc2nnn(-c3nonc3N)c2CN2CCC[C@@H](C)C2)C1 15024154 QFENPDYVIVLENT-ZIAGYGMSSA-N 374.493 1.696 0 50 FDAA CS(=O)(=O)c1ccc2ncnc(NC[C@H](CO)Cc3ccccn3)c2c1 241590515 PFLSFWMDUUHETN-CYBMUJFWSA-N 372.450 1.691 0 50 FDAA Cc1c(NC(=O)C(=O)N2CCOC[C@@H]2[C@H]2CCCO2)cccc1N(C)C 377317670 CKUROPZBWXSBFJ-IAGOWNOFSA-N 361.442 1.406 0 50 FDAA CC[C@H]1CN(C(=O)c2ccc(O)nn2)CCC(=O)N1Cc1ccccc1 71765532 VHCGEPKLVBTEPK-HNNXBMFYSA-N 354.410 1.836 0 50 FDAA CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccccc2Cl)C1 72441834 ZXPNSMTZVYYZOQ-ZDUSSCGKSA-N 359.879 1.475 0 50 FDAA C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1C(=O)C(=O)NCCCc1ccccc1 285610347 UYKOFQBRPRMKNN-LQWHRVPQSA-N 374.481 1.514 0 50 FDAA CC(C)(Oc1ccc2c(c1)CCC2)C(=O)N[C@@H]1COCC[C@@H]1OCCO 222816860 KZKRSEPRYGRPKU-MSOLQXFVSA-N 363.454 1.615 0 50 FDAA C[C@H](c1ccon1)N(C)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 426547627 NFCKVQGQYABETD-LLVKDONJSA-N 363.395 1.429 0 50 FDAA Cc1nc2ccc(CNC(=O)Cn3nnc(-c4ccc(F)cc4)n3)cc2[nH]1 221347339 YKTFZIAVNOBWPW-UHFFFAOYSA-N 365.372 1.980 0 50 FDAA CC(=O)N1CCC[C@H](CNC(=O)N2CCOc3ccc(CO)cc3C2)C1 426584572 CGUQLHBVQFBHDQ-MRXNPFEDSA-N 361.442 1.341 0 50 FDAA COc1ccc(C(=O)N2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)o1 220752653 KJODRQHVISTPFJ-QGZVFWFLSA-N 371.397 1.346 0 50 FDAA Cc1ccc2nc(CCN=c3cc([C@@H]4CCOC4)nc(N)[nH]3)[nH]c2c1C 426711185 CUWDGAHCNLQTKW-CYBMUJFWSA-N 352.442 2.132 0 50 FDAA CCn1ncc(CN(C)C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)c1C 426494299 NPVOKRIOGSXBIV-HNNXBMFYSA-N 355.442 1.614 0 50 FDAA O=S(=O)(C[C@H]1CCOC1)N1CCN(c2ccc(F)cc2Cl)CC1 179317568 XDDWEYQEBUWRPO-LBPRGKRZSA-N 362.854 1.967 0 50 FDAA O=C(CCc1cc2n(n1)CCCN(C1Cc3ccccc3C1)C2)NCCO 91986019 OUVHGUDKRBZZRJ-UHFFFAOYSA-N 368.481 1.297 0 50 FDAA CNC(=O)C[C@@H](C)N(C)C(=O)c1cccc(-c2cncc(C(N)=O)c2)c1 426422734 DNDJFOGSPYBQPT-GFCCVEGCSA-N 354.410 1.444 0 50 FDAA Cc1nnc2n1[C@H](C)CN(C(=O)CCCn1cnc3ccccc3c1=O)C2 96165224 IAHKKCAZQJKARU-CYBMUJFWSA-N 366.425 1.680 0 50 FDAA O=C1CNC(=O)N1Cc1nc(-c2ccncc2)nn1-c1ccc(F)cc1 96148604 NUYZUWZTJRDFFP-UHFFFAOYSA-N 352.329 1.520 0 50 FDAA CCCc1nc(C(=O)N2CCN(C(=O)N3CCOCC3)CC2)cs1 91325395 NXYDLGMSSFJMJR-UHFFFAOYSA-N 352.460 1.306 0 50 FDAA O=C(CCc1nc2ccc(F)cc2[nH]1)NCCS(=O)(=O)N1CCCC1 97495220 JGOSWAOSNYREHL-UHFFFAOYSA-N 368.434 1.176 0 50 FDAA CN(C)S(=O)(=O)N1CCN(C(=O)c2c[nH]nc2C2CCCCC2)CC1 97773095 LABOKYKCIRZXKK-UHFFFAOYSA-N 369.491 1.022 0 50 FDAA C[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)NCCn2cccn2)cc1 91574393 XTNNXHPGVMKIIQ-CQSZACIVSA-N 362.455 1.486 0 50 FDAA Cn1c(N2CC[C@H](O)C2)nc2cc(C(=O)NCCN3CCCCC3)ccc21 95365329 QLRCJHBYTZVIQP-INIZCTEOSA-N 371.485 1.360 0 50 FDAA O=C(NC[C@@]1(O)CCS(=O)(=O)C1)C1c2ccccc2Oc2ccccc21 295475297 QPZLHUCRHATCPH-IBGZPJMESA-N 373.430 1.590 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2ccncc2)CN1C1CCCCC1 96180527 PEPMLIFUOCCMFI-WMZOPIPTSA-N 358.486 1.652 0 50 FDAA O=C1CC[C@]2(CCOC2)CN1CCN1CCN(Cc2ccccc2)CC1 91603895 JJMAXSHPICBDEI-NRFANRHFSA-N 357.498 1.833 0 50 FDAA CN1C(=O)[C@H](CC(=O)NCCCN2CCCc3ccccc32)N(C)C1=O 91460074 JKGBKSONPGXOQU-INIZCTEOSA-N 358.442 1.228 0 50 FDAA COc1ccccc1-n1nc(Cn2cncn2)nc1[C@@H]1CCC(=O)N(C)C1 96166598 ZJSFHIKJJCNHHE-CYBMUJFWSA-N 367.413 1.252 0 50 FDAA NC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)NCc2ccc(F)cc2)C1 95509355 SHGDHNJFEBMLBY-AWEZNQCLSA-N 359.405 1.597 0 50 FDAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@@H]3[C@@H]4[C@H]3[C@H]3[C@]15CCSCC[C@@]35[C@H]42 247903611 LDQLPMQXZGNMGH-LKAPLBJNSA-N 365.458 1.916 0 50 FDAA COc1cccc(-n2cc(CN(C)CC(=O)Nc3ccn(C)n3)cn2)c1 244811662 SIWKIIJOOPJQTL-UHFFFAOYSA-N 354.414 1.685 0 50 FDAA COc1cccc([C@H](O)CNC(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)c1 244708158 KOTWJPYKTVAYHA-JKIFEVAISA-N 359.430 1.193 0 50 FDAA COC(=O)[C@@H]1N[C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 526056073 OVNVCTFDFZCLAC-BSDSXHPESA-N 364.401 1.987 0 50 FDAA O=C(O)[C@H]1COCCN1C(=O)c1cnn2c(-c3ccccc3)ccnc12 299752862 VUEQKXHFFIHIKT-OAHLLOKOSA-N 352.350 1.322 0 50 FDAA COCC(=O)N1CC[C@@H](Nc2ncc(C(F)(F)F)cc2Cl)[C@H](O)C1 299785646 LDUOWLNVBQWCNP-GHMZBOCLSA-N 367.755 1.774 0 50 FDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cn1ncc2ccccc2c1=O 268935878 HDPOJCGOCMMPLA-MAZHCROVSA-N 355.394 1.641 0 50 FDAA C[C@@H](c1ccncc1)N(C)C(=O)c1cc(N)cc(S(=O)(=O)N(C)C)c1 299783061 GYAZXCDUHSGQKQ-LBPRGKRZSA-N 362.455 1.747 0 50 FDAA COc1ccc(OCCCN)c(C(=O)N2CCC(n3cnnc3)CC2)c1 299781271 DLFORBGDGRJZFV-UHFFFAOYSA-N 359.430 1.492 0 50 FDAA COc1ccc([C@H](CC(=O)NCCO)c2cc3c(cc2O)OCO3)cc1 828765265 OLIBJFPXASSRGP-AWEZNQCLSA-N 359.378 1.760 0 50 FDAA biogenic O=C(NCCc1nc(-c2cccnc2)no1)c1ccc(-n2cnnn2)cc1 670466661 QFWOEKZKBRDDBL-UHFFFAOYSA-N 362.353 1.080 0 50 FDAA c1cn2nc(N3CCN(Cc4noc([C@H]5CCCO5)n4)CC3)ccc2n1 670435482 OVUPOIXIFCTNPU-CYBMUJFWSA-N 355.402 1.286 0 50 FDAA CC(C)(C)N1C[C@@H](C(=O)NCCc2nc(-c3ccccn3)no2)CC1=O 670454190 RHKVLKVEPKADFO-LBPRGKRZSA-N 357.414 1.437 0 50 FDAA Cc1nc(N[C@@]23CC[C@@H](C[C@@H]2NC(=O)c2cncc(F)c2)C3)[nH]c(=N)n1 1875408438 WSLPWBNFSCHURK-SIMVJXQJSA-N 357.393 1.280 0 50 FDAA Cn1cncc1C(=O)N[C@@H]1CCCCN(c2ncnc3scnc23)C1 1875407516 BROJASQLFUYWOE-LLVKDONJSA-N 357.443 1.609 0 50 FDAA Cn1cc(C(=O)N[C@@]2(C)CCN(C(=O)[C@@]3(C)CC(C4CC4)=NO3)C2)cn1 1875408154 PMIXHWIXWIUTMP-ZWKOTPCHSA-N 359.430 1.086 0 50 FDAA Cc1cccc(CC(=O)N2CC(N3CCO[C@@H](c4nc(C)no4)C3)C2)c1 952848415 GRNDKAWUOJMNKD-QGZVFWFLSA-N 356.426 1.513 0 50 FDAA Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2(c3cccc(F)c3)CC2)C1 952849252 UTFFINREVQFTSU-WOSRLPQWSA-N 358.417 1.657 0 50 FDAA Cc1ccc(-n2ccnc2)c(C(=O)N2C[C@@H]3COCC[C@]3(C(N)=O)C2)c1 952849518 DHRXOAHNQBUAAC-KUHUBIRLSA-N 354.410 1.145 0 50 FDAA O=C(C[C@H](Cc1ccccc1)C(=O)O)NCC(=O)N1Cc2ccccc2C1 1875291419 YGEKBVNAUAMTAJ-SFHVURJKSA-N 366.417 1.979 0 50 FDAA COC[C@@H]1C[C@H](O)CN1C(=O)Nc1cn(CC(F)(F)F)nc1C1CC1 1875318955 NHTMOWFFUMVKSX-QWRGUYRKSA-N 362.352 1.936 0 50 FDAA Cc1nn[nH]c1C(=O)N[C@@H]1CCC[C@H]2CN(c3ncnc(C)c3F)C[C@H]21 1875339400 IJVRFDLGZWSFOL-YNEHKIRRSA-N 359.409 1.386 0 50 FDAA CN1CC/C(=C\C(=O)NCCC2CC(N=c3nc[nH]n4cccc34)C2)C1 1875327676 FULJWEISMPLQAP-RVDMUPIBSA-N 354.458 1.110 0 50 FDAA COc1cc(C(=O)N2CCOC3(CCN(c4ncccn4)CC3)C2)ccn1 952972069 FCSGXKFRIMCTGE-UHFFFAOYSA-N 369.425 1.392 0 50 FDAA Cc1nn(C)c2nccc(NC[C@@H]3OCCN(C)[C@H]3c3ccnn3C)c12 886081945 JNFAPLNRDFUIOE-RDJZCZTQSA-N 355.446 1.494 0 50 FDAA Cc1c(C(=O)O)cnn1-c1ccc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C)cc1 888097870 RGYRXLOIVZASSS-DLBZAZTESA-N 370.409 1.034 0 50 FDAA CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cccc3oc(C)nc23)cn1 888093523 CEYFUYKRVZCEIA-GOEBONIOSA-N 356.382 1.929 0 50 FDAA Cc1nc(O)nc(C)c1CCC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N1CCCCC1 1565507836 WTBOVSADYICJNZ-NQYYFHDYSA-N 374.485 1.490 0 50 FDAA O=C(N[C@H]1CCN(Cc2cscn2)C[C@@H]1O)c1cncc(Cl)c1 1565512505 SDLQZEVWQPOWFP-KBPBESRZSA-N 352.847 1.557 0 50 FDAA NC(=O)c1ccc(O[C@H]2CCOC[C@@H]2NC(=O)CCc2ccncc2)cc1 1565507654 KLCSFGQBTKNXHT-ROUUACIJSA-N 369.421 1.466 0 50 FDAA CC(C)[C@H](NC(=O)NC1CCC2(CC1)OCCO2)c1nnc2n1CCC2 170623132 QMMXUTOFGLTNKA-HNNXBMFYSA-N 363.462 1.906 0 50 FDAA Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCN(C3CCOCC3)C[C@H]2C)c1 279400851 ZOOIZKKAIOBXCA-IAGOWNOFSA-N 373.497 1.825 0 50 FDAA O=C([C@@H]1Cc2ccccc2O1)N1CCC[C@H](N2CCCS2(=O)=O)C1 279630385 XZNVQHLWEKJDGD-HOCLYGCPSA-N 350.440 1.017 0 50 FDAA CC(=O)[C@@H]1C[C@H](C(=O)NS(=O)(=O)c2ccc3c(c2)COC3)C1(C)C 408488330 YUEQVHVXRHCVFE-LSDHHAIUSA-N 351.424 1.773 0 50 FDAA C[C@@H](O)CN1C(=O)N[C@@](C)(c2ccc(I)cc2)C1=O 193383914 KQQUKZXLSOCPJB-OQPBUACISA-N 374.178 1.439 0 50 FDAA COCCN1C[C@H](C(=O)Nc2cc(-n3cnnc3)ccc2OC)CCC1=O 1506412258 APMGVPRDYQMGRZ-CYBMUJFWSA-N 373.413 1.099 0 50 FDAA COc1cccc(N2CCC(N3C[C@@H](O)[C@H](Cc4cnccn4)C3)CC2)c1 1529184711 FATCKIPCYOYQGY-IIBYNOLFSA-N 368.481 1.989 0 50 FDAA CC(=O)N[C@H]1CN(C(=O)CCNC(=O)c2ccc(C)cc2)C[C@@H]1C(C)C 219412758 HRNGCOPJUGJXMB-MSOLQXFVSA-N 359.470 1.734 0 50 FDAA Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3cccnc3)[C@@H](O)C2)c(O)c1 222124282 XISVQLUNPQOKKJ-RDJZCZTQSA-N 355.394 1.101 0 50 FDAA COc1ccc(CN2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)cc1Cl 1616079566 XMCIXIGCCXXFAE-OCCSQVGLSA-N 362.879 1.033 0 50 FDAA Cc1nc2sccn2c1C(=O)N1CCCN(C(=O)c2ncoc2C)CC1 1772700819 IUQTZXUSMNJPNG-UHFFFAOYSA-N 373.438 1.989 0 50 FDAA C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)n1nnc2ccccc2c1=O 5307400 KDUZYJPSLZVIDM-HNNXBMFYSA-N 363.421 1.701 0 50 FDAA O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCc2cccs2)cc1 11027314 RKABMBPNRPQHPM-UHFFFAOYSA-N 364.448 1.923 0 50 FDAA Cc1c(CNCc2cccc(OC[C@H](O)CN3CCOCC3)c2)cnn1C 11878342 GWVJXFJZFCDZPS-LJQANCHMSA-N 374.485 1.090 0 50 FDAA Cc1cc(C)n(CCCNC(=O)[C@@H]2CCCN(C3CCN(C)CC3)C2)n1 11879881 BTBMADQEPCSVNX-GOSISDBHSA-N 361.534 1.812 0 50 FDAA COCCN1C[C@@H](C(=O)NCCc2nc(-c3ccccc3)no2)CCC1=O 12111822 SUNCHWARIYNPCB-HNNXBMFYSA-N 372.425 1.280 0 50 FDAA CN1CCN(S(=O)(=O)c2cccc(C(=O)NC3CCCCC3)c2)CC1 16025848 INPYQEZDZSTKJU-UHFFFAOYSA-N 365.499 1.685 0 50 FDAA Cn1cnc2c(C(=O)N3CCC[C@H]3CCc3ccccn3)n[nH]c2c1=O 1857527373 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FDAA COc1ccc([C@H]2CN(C(=O)CCCn3ccnc3)C[C@@H]2NC(C)=O)cc1 1565512578 FFRDVTBGJASDFN-MOPGFXCFSA-N 370.453 1.803 0 50 FDAA Cc1nn(C)cc1C(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1cccnc1)C2 1565505793 DGRKMFYNFMQIFH-ZBFHGGJFSA-N 353.426 1.500 0 50 FDAA O=C([C@@H]1CCCN1C(=O)c1ccccc1OC(F)F)N1CC(CO)C1 274784363 OKKYMRUPCJJZNY-ZDUSSCGKSA-N 354.353 1.343 0 50 FDAA CN(CC(=O)O)C[C@@H]1CN(C(=O)c2cc(Cl)sc2Cl)CCO1 275620306 JDRWOPHIZJSFQT-MRVPVSSYSA-N 367.254 1.912 0 50 FDAA O=C(Nc1nnc(Cc2ccc(F)cc2)s1)NN1CCCNC1=O 755265816 QPQGFWLGYAXMFI-UHFFFAOYSA-N 350.379 1.720 0 50 FDAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2ccc(F)cc2Cl)C[C@H]1O 1529151631 KVFWVUOQEDGTBK-SMDDNHRTSA-N 350.843 1.163 0 50 FDAA COc1cc(-c2onc(N3CCO[C@@H](CCN)C3)c2C(=O)O)ccc1F 1704311684 QCSXWDXIVGCBJL-NSHDSACASA-N 365.361 1.742 0 50 FDAA COc1cccc([C@H]2CN(C(=O)Cn3ccccc3=O)C[C@@H]2C(=O)O)c1 219305722 XKKUGWMPDOVZLL-CVEARBPZSA-N 356.378 1.184 0 50 FDAA COc1ccc(CN2CCN(C(=O)C(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 220223077 FLTRRPOFKZECKG-SJORKVTESA-N 366.483 1.161 0 50 FDAA CCC[C@@H]1COC[C@@H]2CN(C(=O)c3nc4ccccc4[nH]c3=O)CCN21 1615964805 RZKGMMBIGOVCGN-KGLIPLIRSA-N 356.426 1.248 0 50 FDAA CN1CCCC[C@@H]1C(=O)N1CCCN(C(=O)Cc2ccc(F)cc2)CC1 1772701799 ABNUIYYWSIBOCO-GOSISDBHSA-N 361.461 1.913 0 50 FDAA O=C1N(CC2CCC2)CCC[C@]1(O)CNCc1ccccc1-n1cncn1 12049036 RBFDUQIFXHFRFJ-FQEVSTJZSA-N 369.469 1.511 0 50 FDAA Cc1cccc(CN2CCC[C@@](O)(CNCc3cnn(C)c3C)C2=O)c1 12703080 XDBQFEJIIYDEIF-HXUWFJFHSA-N 356.470 1.680 0 50 FDAA CC(C)[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)cs1)C(=O)O 16625681 PZESKESUZWZLMO-LBPRGKRZSA-N 360.457 1.372 0 50 FDAA CCN1CCN(CC(=O)N[C@H]2CCCN(CC3CCCCC3)C2)CC1 19761950 NALAROGCCHIAAL-IBGZPJMESA-N 350.551 1.785 0 50 FDAA CNC(=O)C[C@H]1CN(C(=O)NCc2c(Cl)cncc2Cl)C[C@@H]1O 1857531159 ZOOCCVWAFARYQT-UFBFGSQYSA-N 361.229 1.027 0 50 FDAA CC(C)c1nccc(C(=O)N2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)n1 1857705916 AJBJUELUWUCPQQ-KHYOSLBOSA-N 358.442 1.798 0 50 FDAA O=C(NC[C@H]1[C@H]2CN(c3ncccn3)C[C@]23CC[C@H]1O3)c1ccccc1 1857721887 KMOPMYBUYYVEMS-TVKQPGBESA-N 350.422 1.890 0 50 FDAA COc1cc2c(cc1CN1C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C1)O4)OCO2 1857728399 ZSIFYMATLBXOIR-QCBUCWTNSA-N 360.454 1.965 0 50 FDAA CS(=O)(=O)Nc1cccc(NC(=O)c2sccc2S(C)(=O)=O)c1 1875252116 JYQYHVLLKBANLB-UHFFFAOYSA-N 374.465 1.775 0 50 FDAA Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CC[C@@]3(CCOC3)C2)n1 153771582 XXXVWMJDGMUBGC-LJQANCHMSA-N 370.457 1.638 0 50 FDAA COc1ccc2c(c1)CCN(CC(=O)N1CCC[C@@H](NC(C)=O)C1)CC2 371183119 HTEAIEXSWGRXTD-GOSISDBHSA-N 359.470 1.223 0 50 FDAA Cc1cnc([C@@]2(NC(=O)Cn3nc(C(F)(F)F)cc3C)CCOC2)[nH]1 818665983 OEKRFLRXBPEAHX-CQSZACIVSA-N 357.336 1.674 0 50 FDAA O=C(NCC(=O)N1CCC[C@@H]1c1nn[nH]n1)c1ccc(C(F)(F)F)cc1 819444145 LEQLOEBWLMHEJF-LLVKDONJSA-N 368.319 1.312 0 50 FDAA COc1cccc(N2C(=O)C[C@H](N3CCN(c4ccccn4)CC3)C2=O)c1 712881 RKKCQAJSHDDDLO-KRWDZBQOSA-N 366.421 1.544 0 50 FDAA CN1CCN(c2ncccc2CN[C@H]2CC[C@H](c3nccn3C)C2)CC1 2325763205 CDIWIPIXDAYNGM-WMZOPIPTSA-N 354.502 1.993 0 50 FDAA Cc1csc2c(C(=O)NC[C@@H]3CCS(=O)(=O)[C@H](C)C3)ncnc12 2325786651 MPJJZZSEYVEWAI-GHMZBOCLSA-N 353.469 1.943 0 50 FDAA CO[C@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CO3)CCc2ccccc21 2325791364 SPYNXDWIOCRVMR-INIZCTEOSA-N 353.378 1.799 0 50 FDAA CN(C)c1nc2c(C(=O)N3C[C@H](C(=O)O)C[C@@H]4COCC[C@H]43)cccc2o1 2325797766 SNFFVCKVSNPJOP-YRGRVCCFSA-N 373.409 1.846 0 50 FDAA CC(C)Cn1ccc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)n1 2325842204 RHNQYUPUSSBGMK-UHFFFAOYSA-N 365.459 1.904 0 50 FDAA COc1c(Cl)cc(C(=O)N=c2[nH][nH]c3c2CNCC3)c2ncccc12 2325856943 JDEBWTJWJMADBC-UHFFFAOYSA-N 357.801 1.940 0 50 FDAA O=C(NCC12CCC(CC1)N2C(=O)c1cccnc1)c1cnnc(O)c1 2325870018 GHDBLPTZTMTTLO-UHFFFAOYSA-N 353.382 1.144 0 50 FDAA CC1(C)C[C@H](NC(=O)C(F)(F)F)[C@@H](NC(=O)C(F)(F)F)C(C)(C)N1 849978 CENWDAKHRRVLAG-NKWVEPMBSA-N 363.302 1.631 0 50 FDAA CCOC(=O)CN1C(=O)[C@@](O)(CC(=O)c2cccnc2)c2ccccc21 1137161 UJFVAXPWWOHOHX-LJQANCHMSA-N 354.362 1.452 0 50 FDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccnc(O)c3)C1)CC2 2356141665 KRPMMPAEYCRTTC-LJQANCHMSA-N 353.426 1.763 0 50 FDAA Cc1cc(C)n2[nH]c(=NC(=O)CCc3nc(-c4ccncc4)no3)cc2n1 2356149183 OLZUHDSULZTZPR-UHFFFAOYSA-N 363.381 1.784 0 50 FDAA C[C@@H]1CCCN(CC(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)C1 2356151030 NGPVBKVRZCNEOE-QGZVFWFLSA-N 367.497 1.986 0 50 FDAA Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(=O)O)cc1 2526794 VXGVRMMCUXPRFO-LBPRGKRZSA-N 358.416 1.251 0 50 FDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3n[nH]c4c3CCC4)C1)CC2 2356155089 WTMLQGFBVYGCLS-HXUWFJFHSA-N 366.469 1.875 0 50 FDAA CCOC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 3648059 RGIBNLUTUQVQMZ-AWEZNQCLSA-N 350.415 1.802 0 50 FDAA C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 7656480 ZYWHKHYNHPFCBW-CQSZACIVSA-N 352.456 1.580 0 50 FDAA Cc1cc2ccccc2n1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 7848818 OUTPRQPBUXYUFH-UHFFFAOYSA-N 371.462 1.956 0 50 FDAA CN(C)S(=O)(=O)N1CCC(C(=O)NCc2ccccc2Cl)CC1 10338921 MUVQFMVKAPFKFJ-UHFFFAOYSA-N 359.879 1.475 0 50 FDAA CC(C)[C@H](NC(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)C(N)=O 135166901 SOBBYCXAKZHDNT-FBVQUNGASA-N 358.486 1.991 0 50 FDAA CN1CCN([C@H]2CN(Cc3c[nH]nc3-c3ccc(F)cc3)C[C@@H]2O)CC1 55107635 CAZRLTCOERNQAN-ROUUACIJSA-N 359.449 1.008 0 50 FDAA COCCc1nc(C2CCN(Cc3ccc4nccn4c3)CC2)cc(=O)[nH]1 63884133 QVQOHSXQEQQXBZ-UHFFFAOYSA-N 367.453 1.986 0 50 FDAA CCn1c([C@@H]2CCCN(C(=O)c3nn(C)c4ccc(C)cc34)C2)n[nH]c1=O 67675373 DPTFLNLYNUQZGR-CYBMUJFWSA-N 368.441 1.806 0 50 FDAA O=C(Cc1ccc(Cl)cc1)N[C@H]1CN[C@H](C(=O)NCc2ccccn2)C1 67674047 ILBCWCGTOINKNP-SJORKVTESA-N 372.856 1.441 0 50 FDAA O=C(NCc1cccnc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 20106197 IWLFYEWVJMDBHV-UHFFFAOYSA-N 359.451 1.937 0 50 FDAA Fc1cnc(NC2CCN(C3CCOCC3)CC2)nc1N1CCOCC1 65407518 DZRAEQJECLWRCT-UHFFFAOYSA-N 365.453 1.508 0 50 FDAA O=C(COc1ccc(-n2cnnn2)cc1)N1CCC[C@@H](c2ccn[nH]2)C1 67769771 KPWIUGKGFVAVNM-CYBMUJFWSA-N 353.386 1.170 0 50 FDAA CS(=O)(=O)N1CCO[C@H](c2nnc([C@@H]3Cc4cc(F)ccc4O3)o2)C1 328625343 DAAJLVOBSDYEKD-STQMWFEESA-N 369.374 1.218 0 50 FDAA COC(=O)c1sc(NC(=O)CN2CCC[C@H]2Cn2cccn2)nc1C 65435784 BLOCYYFVGHWNQC-LBPRGKRZSA-N 363.443 1.538 0 50 FDAA Cc1ccc(C(=O)NCCNC(=O)N[C@@H]2c3ccccc3C[C@H]2O)cc1F 122947649 AGQHFNQBYGMASB-QZTJIDSGSA-N 371.412 1.821 0 50 FDAA NCCn1cc(C(=O)NCc2cccnc2Oc2ccccc2F)nn1 67871750 IXMLXZUVYLUYMG-UHFFFAOYSA-N 356.361 1.493 0 50 FDAA C[C@H](c1nc(C2CC2)no1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 329250836 BEAYZBBSFSPLGR-OCCSQVGLSA-N 370.475 1.134 0 50 FDAA C[C@H]1CNCCN1C(=O)c1sc2ccccc2c1CS(C)(=O)=O 125865888 UYHVFKCZJQCCCD-NSHDSACASA-N 352.481 1.880 0 50 FDAA Cc1ccc(Oc2ncccc2CNC(=O)c2c[nH]c(=O)cc2O)cn1 67754517 IHGJDPLUNYAUDV-UHFFFAOYSA-N 352.350 1.901 0 50 FDAA O=C(Nc1ccc(N2CCOCC2)c2nonc12)c1ccn(C(F)F)n1 2780239 RRGFAUXYQJBZST-UHFFFAOYSA-N 364.312 1.903 0 50 FDAA CCn1cc(S(=O)(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)cn1 2804216 FFUOWPVGRBLRLI-UHFFFAOYSA-N 366.834 1.997 0 50 FDAA Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(c1ncnc3[nH]ccc13)C2 219899803 YAPLRMCFDBHBLO-INIZCTEOSA-N 364.413 1.380 0 50 FDAA COc1cc(N2CCC(c3nnc(CN4CCCC4)n3C)CC2)ncn1 77455360 HTYTVQLWIZMEPN-UHFFFAOYSA-N 357.462 1.594 0 50 FDAA O=C(Cc1ccccc1)N1CCN(c2cc(N3CCCC3)ncn2)CC1 38528175 JSMGHDONFNATIQ-UHFFFAOYSA-N 351.454 1.968 0 50 FDAA CC[C@H](C(=O)NCc1cc2c(nc1OC)CN(CC)C2=O)n1cccn1 71774522 JNHAIJQETJCJLU-OAHLLOKOSA-N 357.414 1.530 0 50 FDAA COC[C@@H](NS(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C)C1CC1 332132481 KCOIHJZUXUKBBQ-CYBMUJFWSA-N 361.485 1.410 0 50 FDAA Cc1nn(CC(=O)N2CCN(c3ccncc3)CC2)c(=O)c2ccccc12 30882574 RSEBDIWOAVQCJX-UHFFFAOYSA-N 363.421 1.449 0 50 FDAA Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(C(=O)Cc1cccs1)C2 219862515 GEYSUSABQNVQPZ-GOSISDBHSA-N 371.466 1.735 0 50 FDAA CN(C)CCCN(C)C(=O)c1cn(C[C@H]2COc3ccccc3O2)nn1 72150067 AYIAXSHNJJRXKE-AWEZNQCLSA-N 359.430 1.142 0 50 FDAA Cn1cc(-c2nnc3n2CCN(C[C@@H](O)COCc2cccs2)C3)cn1 371768514 AISZJSHVGYXRDM-CQSZACIVSA-N 374.470 1.133 0 50 FDAA O=C(O)C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CCO1 262458255 UZAMYZXRMCPTIJ-RISCZKNCSA-N 366.801 1.395 0 50 FDAA CN(C)c1noc(CN2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)n1 375760360 FORRRFOSEOJGOP-CHWSQXEVSA-N 353.423 1.005 0 50 FDAA CC[C@H]1CN(C(=O)CCn2cnnn2)CCC(=O)N1Cc1ccccc1 71614634 SLNSXFZQOLQQJW-INIZCTEOSA-N 356.430 1.103 0 50 FDAA CCn1c(N)nc2cc(C(=O)N3CCC(N4CCSCC4)CC3)cnc21 77344305 FQZIHPRKCPCATL-UHFFFAOYSA-N 374.514 1.687 0 50 FDAA NC(=O)[C@H]1CCO[C@@H]1C1CCN(C(=O)Cc2ccc3c(c2)CCC3)CC1 284486222 FWCZOVBOMAUNBK-AZUAARDMSA-N 356.466 1.847 0 50 FDAA COc1ccc2c(c1)C[C@H](C(=O)NCc1nnnn1-c1ccccc1)CO2 217446390 KOWMMSONGBHUNR-AWEZNQCLSA-N 365.393 1.538 0 50 FDAA COCC(=O)Nc1ccccc1C(=O)N1CCC2(CC1)CC(=O)N(C)C2 72421548 CIROWDFHHOLHPP-UHFFFAOYSA-N 359.426 1.356 0 50 FDAA CC(=O)N1CCC[C@@H]1C(=O)N1CCOC[C@H]1c1nnc(-c2ccccc2)o1 286127867 STSWKTCLSMYUJZ-CVEARBPZSA-N 370.409 1.647 0 50 FDAA C[C@H]1NC(=O)N(CCN2CCN(c3cncc4ccccc34)CC2)C1=O 459419400 AIYQLDPUCVJQSV-CQSZACIVSA-N 353.426 1.297 0 50 FDAA Cc1noc(C)c1CCNS(=O)(=O)c1cnn(C2CCOCC2)c1 133092030 YQKSTQKJNOSPQM-UHFFFAOYSA-N 354.432 1.360 0 50 FDAA C[C@](NC(=O)c1cnn2c1CCC2)(C(N)=O)c1cccc(C(F)(F)F)c1 263333659 MWTSOIAKAIGCER-MRXNPFEDSA-N 366.343 1.979 0 50 FDAA C[C@@H](CO[C@H]1CCOC1)NC(=O)N1CCN(c2nc3ccccc3o2)CC1 175577157 SVEADIOZWWUTDO-GJZGRUSLSA-N 374.441 1.853 0 50 FDAA Cn1cc(S(=O)(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)cn1 223321623 BGDNVJKJQQDOKW-LEHRNKBSSA-N 372.450 1.759 0 50 FDAA Nc1nc(C2CC(N)C2)cc(N2CCN(CCOc3ccccc3)CC2)n1 220271027 ZOABARNGSGGBCG-UHFFFAOYSA-N 368.485 1.465 0 50 FDAA CNC(=O)c1cccc(N2CCc3[nH]c(-c4ccc(OC)nc4)nc3C2)n1 223969527 GNLHCEXSDCVHOL-UHFFFAOYSA-N 364.409 1.798 0 50 FDAA CCn1nc(C)c(S(=O)(=O)NCc2noc(C(F)(F)F)n2)c1C 290005623 XCKXTHAKNZGUMQ-UHFFFAOYSA-N 353.326 1.400 0 50 FDAA CC[C@@H](NC(=O)N1CCN(c2ccc3nccn3n2)CC1)c1cnn(C)c1 426567178 ZAHJYTIDWUAIDG-OAHLLOKOSA-N 368.445 1.446 0 50 FDAA Cc1ccc(C(=O)N2N=C3c4ccccc4S(=O)(=O)N3[C@H]2N(C)C)cc1 19831014 FPBUZWJLOHSAGN-SFHVURJKSA-N 370.434 1.662 0 50 FDAA CCc1ccc(C(=O)N[C@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)[nH]1 426555765 AXXHAAGUZYELOL-BRFBUHTJSA-N 364.493 1.875 0 50 FDAA COc1ccccc1OC1CN(C(=O)NCCCN2CCC[C@@H](O)C2)C1 426432071 VLTBTWQMWIHRLH-OAHLLOKOSA-N 363.458 1.315 0 50 FDAA CCOCCN1CCN(C(=O)c2cnc(-c3ccccn3)nc2O)CC1 91474229 VXZZNSFWQWPRDQ-UHFFFAOYSA-N 357.414 1.039 0 50 FDAA Cn1c(SCCS(=O)(=O)c2ccccc2)nnc1[C@H]1CCCNC1 426411585 WPVFSWMPFHAYLT-ZDUSSCGKSA-N 366.512 1.848 0 50 FDAA CS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)OCCC[C@@H]3O)cc1 91474052 KJGPZKUCIOPTHK-HNNXBMFYSA-N 353.440 1.236 0 50 FDAA O=C(NCC1(Cn2cccn2)CC1)Nc1cc(-n2cnnn2)ccc1F 426523224 SJWBNCWATDCGSA-UHFFFAOYSA-N 356.365 1.600 0 50 FDAA COc1cccc(OCCN2CCN(C(=O)c3cnc(C)nc3C)CC2)c1 97698831 QWAQBYODDVZGLN-UHFFFAOYSA-N 370.453 1.939 0 50 FDAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cc(=O)c3ccccc3o1)C2 95521198 AKELIVYNNDITRR-UONOGXRCSA-N 370.405 1.502 0 50 FDAA CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cnc(Cn3cncn3)nc2O)C1 91736218 HOLZDUOTVLKNCR-KZULUSFZSA-N 356.430 1.863 0 50 FDAA Cc1noc(C)c1C(=O)N1CCC2(CCC(=O)N([C@H]3CCN(C)C3)C2)CC1 91593043 SIKYGZCCNWWADN-INIZCTEOSA-N 374.485 1.840 0 50 FDAA Cn1c(N2CC[C@H](O)C2)nc2cc(C(=O)N3CCc4n[nH]cc4C3)ccc21 95392411 VELBMFABELVUPB-AWEZNQCLSA-N 366.425 1.066 0 50 FDAA NC(=O)[C@H]1CCCN(CCCNC(=O)Nc2ccc3cccnc3c2)C1 96131479 QSEAKACEUHHVGG-HNNXBMFYSA-N 355.442 1.944 0 50 FDAA Cc1nc(N(C)C)ncc1C(=O)N[C@@]1(C(=O)O)CCCc2ccccc21 95510789 NRVYXKLROILAQN-IBGZPJMESA-N 354.410 1.897 0 50 FDAA Cc1ccccc1[C@@H](C(=O)N1CCN(C(=O)N2CCOCC2)CC1)N(C)C 95363049 SMYLHHFCGUYXGH-SFHVURJKSA-N 374.485 1.194 0 50 FDAA O=C1CN(c2ccc(C(=O)NCCSc3ccccn3)cc2)C(=O)N1 91706404 SFHVDZKNTITAQF-UHFFFAOYSA-N 356.407 1.660 0 50 FDAA Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)COC(C)C)CC3)cn1 91707288 LGZLJJOUQHPHKX-UHFFFAOYSA-N 374.485 1.941 0 50 FDAA CCCc1ccc([C@H](C)NC(=O)CN2CCN(c3nc[nH]n3)CC2)cc1 244659803 HJAFVORDQKHWAA-HNNXBMFYSA-N 356.474 1.757 0 50 FDAA Cc1nn(C)c2ncc(C(=O)N3C[C@@H](C(=O)O)[C@H](C(F)(F)F)C3)cc12 299745582 REFIMWIEFGJPLB-GHMZBOCLSA-N 356.304 1.612 0 50 FDAA CC(C)n1cnc(S(=O)(=O)N2C[C@@H](C(=O)O)[C@H](C(F)(F)F)C2)c1 299746067 VBQMJXOSYCTGEO-RKDXNWHRSA-N 355.338 1.348 0 50 FDAA COc1cc2c(cc1OC)CC(=O)N(CCC(=O)Nc1cnn(C)c1)C=C2 253410680 NOZFCEBTAFIKGC-UHFFFAOYSA-N 370.409 1.822 0 50 FDAA biogenic O=C(NCc1ccc(CN2CCc3ccccc32)cc1)[C@@H]1C[C@H](O)CN1 269225665 DCTIOKIBOIYMEK-OALUTQOASA-N 351.450 1.588 0 50 FDAA O=C(NCCn1ccnn1)N1CCN([C@@H]2CCc3ccccc3C2)CC1 534658182 BHIOKBIGVORDON-GOSISDBHSA-N 354.458 1.163 0 50 FDAA COCCn1nc(CC(N)=O)nc1-c1cc(N(C)C)nc2ccccc12 1940194824 VJXBSRJDBYMVLH-UHFFFAOYSA-N 354.414 1.234 0 50 FDAA CS(=O)(=O)N1CCC[C@@H](CNC(=O)CCCOCc2ccccc2)C1 299767771 JYZLCFCNVAHIGK-KRWDZBQOSA-N 368.499 1.771 0 50 FDAA CN1CC[C@H](N(C)CCC(=O)N2CCN(Cc3cccc(O)c3)CC2)C1 299787896 SWVYSBLPPUVGCW-SFHVURJKSA-N 360.502 1.062 0 50 FDAA O=C(NCc1nnc2n1CCC2)c1cccc(C2=CCCS2(=O)=O)c1 299788701 ZOBPZQBPICRFDX-UHFFFAOYSA-N 358.423 1.314 0 50 FDAA COc1ccccc1OCCCN(C)C(=O)[C@@H]1CCc2nn(C)c(=O)n2C1 299782199 VFSSXCCENXMECC-CQSZACIVSA-N 374.441 1.080 0 50 FDAA COc1nc(-c2cccc(C(=O)NCCc3csc(N)n3)c2)nn1C 299799603 UIFFBVGIEZZZGK-UHFFFAOYSA-N 358.427 1.502 0 50 FDAA CN(CC(=O)NCc1csc(-c2cnccn2)n1)Cc1ccncc1 823715071 MKBNQXUHLKMIFE-UHFFFAOYSA-N 354.439 1.743 0 50 FDAA CCN(CC)C(=O)[C@H]1CCCN(C(=O)NCCCn2ccccc2=O)C1 584897725 WXLYRIKBZRPYAA-INIZCTEOSA-N 362.474 1.528 0 50 FDAA Cc1cn(C)nc1C(=O)N1CC[C@H](c2cc(O)nc(N3CCCC3)n2)C1 864851192 AZOKYNJLOJVFEG-ZDUSSCGKSA-N 356.430 1.454 0 50 FDAA Cc1ccc([C@@H](NC(=O)c2c[nH]nc2-n2cnnn2)c2cccnc2)cc1C 670434954 DVJRVQVTLXDEEO-QGZVFWFLSA-N 374.408 1.917 0 50 FDAA C=CC(=O)Nc1ccc(C(=O)N2C[C@@H](C(=O)OC)Cc3c2cnn3C)cc1 1875382141 SENMXAHGPMBSBT-ZDUSSCGKSA-N 368.393 1.537 0 50 FDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@H]3CCn4ccnc43)C2)c1C 1875397729 LRBSJLBNVQBXLB-CABCVRRESA-N 369.473 1.305 0 50 FDAA O=C(O)CCCCCNC(=O)C[C@H]1Cn2c(nc3ccccc32)NC1=O 1875346278 YLDOURRSALOVMN-LBPRGKRZSA-N 358.398 1.756 0 50 FDAA Cc1nc(C(=O)N2CCOc3ccccc3C2)nc(N2CC[C@@H](N)C2)c1C 1875401755 QUMHIPROXYLRPF-MRXNPFEDSA-N 367.453 1.666 0 50 FDAA C[C@@H]1CN(C(=O)[C@@H]2CC23CC3)C[C@@]2(CCN(C(=O)Cc3cnco3)C2)O1 1875404920 BVZFFKXULVAELX-WTANOLMUSA-N 359.426 1.236 0 50 FDAA CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC2(CCNC2)CC1 876857650 UJBSHBQSGDUAOR-QGZVFWFLSA-N 359.470 1.946 0 50 FDAA Cc1nn(C)c(C)c1CN(C1CC1)S(=O)(=O)c1cc(C(N)=O)cs1 952987789 LJQGEOWVRYCXEB-UHFFFAOYSA-N 368.484 1.551 0 50 FDAA Cc1nc(N(C)C)ncc1C(=O)Nc1ccc(NC(=O)CN(C)C)cc1 952987342 LKOPHCLPUIYRHU-UHFFFAOYSA-N 356.430 1.603 0 50 FDAA CN1C[C@@]2(CCCN(S(=O)(=O)c3ccc4nc[nH]c4c3)C2)CCC1=O 952871857 FBNJGJWLRSGPFL-QGZVFWFLSA-N 362.455 1.586 0 50 FDAA CC(=O)NCCNC(=O)N1CCC2(CC1)C[C@H]2N(C)Cc1nccs1 276381659 JHECFTQJGJKXAB-CQSZACIVSA-N 365.503 1.275 0 50 FDAA CCOc1ncccc1C(=O)N[C@H]1COCC[C@@H]1OCc1ccccn1 1565529431 HTDXNHVBFSQNSS-IRXDYDNUSA-N 357.410 1.979 0 50 FDAA COc1cccc(OCC(=O)N[C@H]2CCN(Cc3cccnc3)C[C@@H]2O)c1 1565525134 HPIDQJAZYCAGQT-OALUTQOASA-N 371.437 1.221 0 50 FDAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@H]1CCC(=O)N(C)C1 1506400575 AVZHELAITFEJJB-NSHDSACASA-N 360.863 1.946 0 50 FDAA Cc1c(NC(=O)Cn2c(=O)oc3ccccc32)c(N2CCCC2)nn1C 1529150882 AZAWMVBHZASOBK-UHFFFAOYSA-N 355.398 1.875 0 50 FDAA CCn1cc(CNC(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)cn1 1529091869 RVNWNDHVILDJPK-MSOLQXFVSA-N 369.425 1.045 0 50 FDAA CCn1ccnc1CN1CCO[C@H](CO)[C@H]1c1ccc(OC)c(OC)c1 1529126707 NGOWRVCIANDQKB-IEBWSBKVSA-N 361.442 1.855 0 50 FDAA C[C@@H](C(=O)N1CCCN(Cc2cccc3nonc23)CC1)n1cccn1 1529172471 MRKYSVXJEVIORD-AWEZNQCLSA-N 354.414 1.715 0 50 FDAA CNC(=O)c1cc(S(=O)(=O)N2CCC3(C=C(C)CCO3)CC2)cs1 1704303020 HHBPYRGUCAODEQ-UHFFFAOYSA-N 370.496 1.998 0 50 FDAA CN(C)S(=O)(=O)C[C@@H]1CN(CCCCOc2ccccc2)C[C@@H]1O 1704354286 ACPCDRBQSQOHCR-RDJZCZTQSA-N 356.488 1.030 0 50 FDAA COc1c(I)ncnc1I 1775956657 VKCLEMSABGVPSR-UHFFFAOYSA-N 361.908 1.694 0 50 FDAA O=C(c1cnccn1)N1C[C@H]2COC[C@@H]1CN(Cc1ccccc1F)C2 1772707748 YGEGJYAAMYFDFT-HOCLYGCPSA-N 356.401 1.589 0 50 FDAA CCN1CCN(C(=O)c2cn(Cc3ccccc3Cl)nn2)[C@@H](C)C1=O 11703135 MNQXGESQUPPAFL-LBPRGKRZSA-N 361.833 1.673 0 50 FDAA Cc1cnc(CNC[C@@]2(O)CCCN(Cc3ccccc3F)C2=O)cn1 12387493 PXQNDEBAPWFCKW-IBGZPJMESA-N 358.417 1.567 0 50 FDAA COCCn1nc2c(c1C(=O)NCc1n[nH]c(C)c1C)C[C@@H](C)O[C@H]2C 1857528297 UJSSTTKBGYTKFY-MFKMUULPSA-N 361.446 1.822 0 50 FDAA CN(C)CC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3ccnc3)cc2)C1 1857692655 OBYDHULFJZZWFC-IAGOWNOFSA-N 369.469 1.591 0 50 FDAA COc1c(C)cc(S(=O)(=O)N2C[C@@H]3CNC(=O)C[C@@H]3C2)c(C)c1C 1857699135 PCSCVGVUYARPKH-KGLIPLIRSA-N 352.456 1.377 0 50 FDAA CN1CCO[C@H](Cn2ccnc2-c2cnc(=NCc3ccccc3)[nH]c2)C1 1857714639 ZZUBTGSTUSWNMN-SFHVURJKSA-N 364.453 1.705 0 50 FDAA N[C@H]1[C@H]2CC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(c3nc4ccccc4s3)C1)C2 1857723831 YOIAGPXYGFXGKV-IPJQOSJUSA-N 370.478 1.845 0 50 FDAA CN(C)C[C@@H]1OCCN(C(=O)c2ccncc2Cl)[C@H]1c1cnn(C)c1 1857734052 BUEGVGSTCRIBTE-HOTGVXAUSA-N 363.849 1.612 0 50 FDAA CCOCCC(=O)NC[C@H]1[C@H]2CN(C3CCOCC3)C[C@]23CC[C@H]1O3 1857734273 HCIKXSMYMNUXJS-DODZYUBVSA-N 352.475 1.188 0 50 FDAA O=C(NC[C@H]1[C@H]2CN(C(=O)Cn3cccc3)C[C@]23CC[C@H]1O3)C1CC=CC1 1857737698 ZBTASQXEKXHFJX-XKGFGPFHSA-N 369.465 1.577 0 50 FDAA Cc1nccn1Cc1ccccc1NC(=O)c1cn2c(n1)CCNCC2 1857738528 MBMOYUNJUAJPHJ-UHFFFAOYSA-N 350.426 1.834 0 50 FDAA CN(C)C[C@H]1[C@H]2CN(C(=O)Cc3cn4ccsc4n3)C[C@]23CC[C@H]1O3 1857740343 FRNLGDCDNODCLW-LUXYFRNMSA-N 360.483 1.506 0 50 FDAA CN(C[C@H]1CCCN(C(=O)[C@H]2CCC(=O)c3cccn32)C1)S(C)(=O)=O 329125667 YFQPSMWZYJYZRS-UKRRQHHQSA-N 367.471 1.136 0 50 FDAA Cn1cc([C@@H]2CCCCN2C(=O)c2ccnc3c(C(=N)O)cnn23)cn1 330334668 QUYZMWZQAXOHTN-ZDUSSCGKSA-N 353.386 1.714 0 50 FDAA Cn1ccnc1[C@@H]1CCN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)C1 756130739 PAEGASMHERKATF-GFCCVEGCSA-N 374.828 1.815 0 50 FDAA CCn1cc([C@@H]2C[S@@](=O)CCN2CC(=O)N2[C@@H](C)CCC[C@H]2C)cn1 252538340 MYIMVNZPLBUIJA-AKQBKLFXSA-N 366.531 1.798 0 50 FDAA Cc1ccc2c(c1C)OC[C@@H]2NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 264083034 VMBSZQVIFMLUGN-AIGAYMNCSA-N 366.417 1.660 0 50 FDAA CN1C[C@H]2COC[C@@H]1CN(C(=O)Cn1c(C3CC3)nc3ccccc31)C2 1704330626 FLFRDNOUAYUXLC-ZBFHGGJFSA-N 354.454 1.703 0 50 FDAA COC[C@@H]1CCN(S(=O)(=O)c2c(O)cccc2OC(F)(F)F)C1 914166845 ULXVUCOPFJSZGM-SECBINFHSA-N 355.334 1.948 0 50 FDAA Cc1nccn1-c1ccnc(C(=O)N[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)c1 2325785933 VEPYSYTUEWDPGK-YXJHDRRASA-N 366.425 1.342 0 50 FDAA Cc1nn(C)c2nc(O)cc(C(=O)N3CCN(c4ccncc4)[C@@H](C)C3)c12 2325813990 MIKVHVMPOIKSRU-LBPRGKRZSA-N 366.425 1.728 0 50 FDAA C=CC(=O)Nc1ccc(C(=O)N2CCC3(CC2)OC(C)(C)NC3=O)cc1 2325887984 HPPMHLHGCCQCET-UHFFFAOYSA-N 357.410 1.668 0 50 FDAA Cc1nonc1CC(=O)N1CCC[C@H](CNC(=O)c2ccc(F)cc2)C1 12302199 JIJWHLMWEHJCSA-CYBMUJFWSA-N 360.389 1.728 0 50 FDAA C[C@H](Cc1ccccc1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 980636 YNIQRSNRVWRIGG-CYBMUJFWSA-N 358.419 1.579 0 50 FDAA CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCCN2CCC(C)CC2)C1 3007878 LMEHRFJWRQIIQT-MRXNPFEDSA-N 359.536 1.286 0 50 FDAA CCC[C@@]1(C(=O)O)CN(C(=O)c2nc3cccc(C)n3c2F)CC[C@@H]1O 2356155706 KLVMFABHVLRYDF-KPZWWZAWSA-N 363.389 1.860 0 50 FDAA O=C(c1c[nH]nc1-c1ccccc1F)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1 2356156077 QDEVHBRYDOUXOR-DNVCBOLYSA-N 372.400 1.319 0 50 FDAA O=C1N[C@@H]2CCCC[C@@H]2N[C@@H]1CC(=O)N1CCN(Cc2ccccc2)CC1 4487597 ROUPVEVEXKIBOB-IPMKNSEASA-N 370.497 1.120 0 50 FDAA CCOC1CC(O)(CNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 225529307 ITAILEPRRPXGGD-WRSVWVKZSA-N 356.463 1.680 0 50 FDAA CC(C)c1nc(N2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)no1 106967336 ZGMIDPQFPVFQLF-KRWDZBQOSA-N 365.522 1.939 0 50 FDAA COc1ccc(S(=O)(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)cc1-n1cnnn1 103032376 GFBDKURKSRSNIN-AVGNSLFASA-N 363.443 1.385 0 50 FDAA CC(C)[C@H](NC(=O)c1nn(C)c2c1CCCC2)c1nnc2n1CCNCC2 67676372 VEVSVVIKURRIDO-INIZCTEOSA-N 371.489 1.163 0 50 FDAA Cc1cc(C)n(-c2cccc(C(=O)N3CCN4CCN(C)C[C@@H]4C3)c2)n1 65433927 PSXQREGCXLPCEW-LJQANCHMSA-N 353.470 1.561 0 50 FDAA O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]1(O)CNCCn1cccn1 67847669 IXVHSRAHYTTYEV-SFHVURJKSA-N 364.396 1.305 0 50 FDAA O=C(c1ccc(CO)cc1)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 67920842 GLQYTLGPTMQBKB-DLBZAZTESA-N 355.390 1.898 0 50 FDAA CNCCN(C)c1ccc(C(=O)NCC[C@@H]2COc3ccccc3O2)cn1 67967284 HBNDCVBLDQHORZ-MRXNPFEDSA-N 370.453 1.697 0 50 FDAA C=Cc1cccc([C@H]2N[C@@](CC)(C(=O)OC)[C@H]3C(=O)N(CC)C(=O)[C@@H]23)c1 65491389 OIVNLJPIHLAPRJ-AXHMDWHKSA-N 356.422 1.917 0 50 FDAA COc1cc(C(=O)N2CCC(O)(c3ccc(C)cn3)CC2)nc(OC)n1 67560655 MEJJHKBJVVRXRA-UHFFFAOYSA-N 358.398 1.321 0 50 FDAA Cn1nnc2cc(CN3CCCn4nc(C(=O)NC5CC5)cc4C3)ccc21 65490306 FGQCBOOGLUBJSO-UHFFFAOYSA-N 365.441 1.463 0 50 FDAA Cn1ncc(N2CC[C@@H](CNC(=O)c3nc4c(s3)CCCC4)C2)cc1=O 23478489 ONCUJJOJFAQTDK-LBPRGKRZSA-N 373.482 1.372 0 50 FDAA COC(=O)c1nc(NC(=O)Cn2ncc3ccccc3c2=O)sc1C 170625162 NYRJNXFOVRFGCG-UHFFFAOYSA-N 358.379 1.587 0 50 FDAA CCn1c([C@H]2CCCN(c3nc(N(C)C)nc(C)c3C)C2)nn(C)c1=O 67603927 SBGDTZMVMSDATH-AWEZNQCLSA-N 359.478 1.459 0 50 FDAA COc1cc2ncn(CC(=O)NCCn3cccc3)c(=O)c2cc1OC 409414787 WWBMMMUJWDJKHM-UHFFFAOYSA-N 356.382 1.032 0 50 FDAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CN1CCN(c2nc(N)ns2)CC1 252668053 DTJJMNUETWNUSJ-FRRDWIJNSA-N 352.508 1.183 0 50 FDAA CS(=O)(=O)N(CC(=O)N1CCOCC1)c1ccc(C(F)(F)F)cc1 65361801 LAYMBTMBPMIKGR-UHFFFAOYSA-N 366.361 1.330 0 50 FDAA COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)N1CCOCC1 12415322 ADOOOACDUSWDSG-UHFFFAOYSA-N 359.400 1.848 0 50 FDAA Cc1cc(F)ccc1-n1cc(O)c(C(=O)NCc2ccc(C)n(C)c2=O)n1 427598556 GHSXGPHYKNBBGI-UHFFFAOYSA-N 370.384 1.963 0 50 FDAA Cc1ccc2nc(C)cc(C(=O)NCCN3CCC[C@@H](C(N)=O)C3)c2c1 77298273 XKLSQVNGOGKXQK-OAHLLOKOSA-N 354.454 1.779 0 50 FDAA O=C(O)CCc1cc2n(n1)CCCN(C(=O)[C@H]1COc3ccccc3C1)C2 72475660 XEJBZRZCWXMCEO-OAHLLOKOSA-N 369.421 1.884 0 50 FDAA Cc1sc(=O)n(CCC(=O)N2CC(=O)N(CC(F)(F)F)C2)c1C 330135399 MTFWCZHXYJDQJI-UHFFFAOYSA-N 351.350 1.107 0 50 FDAA CCn1ccnc(N2CCC(NCc3ccc4c[nH]nc4c3)CC2)c1=O 328630990 KAFOUVMTXJKXDW-UHFFFAOYSA-N 352.442 1.898 0 50 FDAA CC(=O)N1CCO[C@@H](CNc2nc(-c3cccnc3)nc3c2cnn3C)C1 72149528 MEALHFHEUOMIAZ-AWEZNQCLSA-N 367.413 1.085 0 50 FDAA CCc1nc(CN2CCC(c3cc(N4CCOCC4)nc(C)n3)CC2)no1 72424372 VYWWXGPWBQWTAX-UHFFFAOYSA-N 372.473 1.947 0 50 FDAA COc1ccc(N2C[C@@H](C(=O)N(C)CCCC(=O)O)CC2=O)cc1OC 364828821 LSUFWTMXHKYXKS-LBPRGKRZSA-N 364.398 1.380 0 50 FDAA CCN(CCO)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1 72153451 SRDZWGYMYSFPTC-HNNXBMFYSA-N 371.840 1.010 0 50 FDAA 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CCc1ccc(CN2CCCn3nc(CNS(C)(=O)=O)cc3C2)cc1 82100210 FVMFZGWKOYSDCB-UHFFFAOYSA-N 362.499 1.901 0 50 FDAA Cc1ccc(C(=O)NCCNc2cc(N3CCOCC3)ncn2)c(C)c1 82230706 FGVTXSSAUZJAQW-UHFFFAOYSA-N 355.442 1.772 0 50 FDAA O=C(O)[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)CC1(F)F 289560215 DSKFTKAQZVVLHE-GFCCVEGCSA-N 361.366 1.742 0 50 FDAA CCCc1cc(C(N)=O)c(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)s1 138818750 UHCVYUMZZUAAFU-DDHJBXDOSA-N 352.412 1.616 0 50 FDAA Cn1c(SCC(=O)NCc2cccs2)nnc1[C@@H]1CCCNC1 426643085 YAPNRKFJRLIZIO-LLVKDONJSA-N 351.501 1.752 0 50 FDAA Cc1ccc2c(c1)c(CNC(=O)Cn1ccc([C@H]3CCCNC3)n1)nn2C 426421208 POBRYZWJAPAGLE-HNNXBMFYSA-N 366.469 1.862 0 50 FDAA COc1ccc(OC)c([C@@H](C)NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1 44390245 QDACDXFWUOCJKY-OLZOCXBDSA-N 370.471 1.553 0 50 FDAA CN(C)C[C@H](O)c1cc2n(n1)CCN(C(=O)c1cnc3c(c1)CCC3)C2 220637532 WMKRHNQAQICIBY-SFHVURJKSA-N 355.442 1.018 0 50 FDAA COc1cc2c(cc1CN1CCN(C)[C@@]3(CCNC(=O)CC3)C1)CCC2 91594113 IBQVCMPJSVIFES-NRFANRHFSA-N 357.498 1.970 0 50 FDAA 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O=C1NCCN1[C@@H]1CCCN(c2cc(C(F)(F)F)nc3ncnn23)C1 301305252 XTZIGSPNFAZOGW-SECBINFHSA-N 355.324 1.137 0 50 FDAA CC1CCC(N2C[C@H](C(=O)N[C@H](CO)Cc3ccncc3)CC2=O)CC1 276499957 HPRWHYZZTFACKC-MKFDVMFOSA-N 359.470 1.528 0 50 FDAA CN(Cc1ncnn1CC(F)F)C(=O)c1cccc(Br)n1 278985120 RMNBQPIHHSQRIB-UHFFFAOYSA-N 360.162 1.973 0 50 FDAA O=C(Nc1ccc(-n2ccnn2)cc1)N[C@@H]1CCCN(c2ncccn2)C1 171160180 BJIOGOZKMGPUKF-OAHLLOKOSA-N 364.413 1.848 0 50 FDAA Cc1ccn(CC(=O)NCc2ccccc2CN2CCC[C@H]2CO)c(=O)c1 192459019 NCTPPGNMUDEZHD-IBGZPJMESA-N 369.465 1.430 0 50 FDAA O=C(CN1CCOc2ccccc2C1)N[C@@H]1COC[C@H]1Cc1ccncc1 1529168279 ZKUPJAUKSPVPQA-RTBURBONSA-N 367.449 1.650 0 50 FDAA CN(C)CCc1nnc(NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)s1 1529098612 KNXDIHJQTVNXND-AWEZNQCLSA-N 373.482 1.597 0 50 FDAA Cc1ccc2c(c1)CCCN2C(=O)CN1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704297975 CIICDLOZUYGRQV-YLJYHZDGSA-N 366.465 1.600 0 50 FDAA Cc1c(CN2C[C@@H]3CN(c4ncccn4)C[C@@]3(CCC(=O)O)C2)cnn1C 1772819565 OYYKFJHBAVHGSD-VQIMIIECSA-N 370.457 1.322 0 50 FDAA COc1ccccc1C(=O)N1C[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@@]2(CO)C1 1772709386 PNVGQQYSEDINSQ-JLTOFOAXSA-N 369.421 1.230 0 50 FDAA CCOC(=O)N1CCC(N2CCCN(C(=O)c3cc(C)on3)CC2)CC1 1775984365 QWMLABMYOMQLOH-UHFFFAOYSA-N 364.446 1.752 0 50 FDAA O=C(c1cn(Cc2ccc(F)cc2)nn1)N1CCN(C2CCCC2)C(=O)C1 12298202 UCDFMWPZOMDGIA-UHFFFAOYSA-N 371.416 1.693 0 50 FDAA CC(C)c1nnc(N2C[C@@H](C(=O)NCCCn3cccn3)CC2=O)s1 1857700504 IRHVAWWZYJJURI-LBPRGKRZSA-N 362.459 1.417 0 50 FDAA O=C(Cc1cc[nH]n1)N1CCC(C2CCN(C(=O)[C@H]3CCOC3)CC2)CC1 1857718418 INEDAVXTNIWXMX-KRWDZBQOSA-N 374.485 1.466 0 50 FDAA O=C(N[C@H]1C=CCCC1)c1cn2c(n1)CCN(C(=O)Cc1cc[nH]n1)CC2 1875240531 AJVPZWALNIPWPZ-AWEZNQCLSA-N 368.441 1.072 0 50 FDAA COCn1nc(C)c(S(=O)(=O)N2CCO[C@@H]3CC[C@H](OC)C[C@H]32)c1C 408394461 JGQCIPRJXRKTIM-RRFJBIMHSA-N 373.475 1.061 0 50 FDAA CN1CCO[C@H](C(=O)N(C)C[C@H]2CCc3nc(C(F)(F)F)cn3C2)C1 328638829 WNZYMTOTALHMNA-NEPJUHHUSA-N 360.380 1.253 0 50 FDAA O=C(O)[C@H]1CCCN1CC(=O)N1CCN(c2cccc(Cl)c2)CC1 238091367 ZSSMSCRPIYWRPM-OAHLLOKOSA-N 351.834 1.538 0 50 FDAA NCCCN(Cc1ccccc1)C(=O)Cn1c(O)nc2ccccc2c1=O 262437896 GUWUYSFXWSYPIU-UHFFFAOYSA-N 366.421 1.480 0 50 FDAA COC(=O)[C@@H]1CC12CCN(C(=O)[C@H]1CC(=O)N(Cc3ccccc3)C1)CC2 265080253 RFMSZFYWQBLKOP-IRXDYDNUSA-N 370.449 1.837 0 50 FDAA CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cccc3nc(C)[nH]c23)cn1 818606632 HNXOEZVLVLXRPG-JKSUJKDBSA-N 355.398 1.664 0 50 FDAA COc1cc(C(=O)NS(=O)(=O)Cc2ccccc2C)nnc1C1CC1 2325792066 ZYPWAZGGTQTUKT-UHFFFAOYSA-N 361.423 1.931 0 50 FDAA COc1cc(N2CCN(c3ccc(O)nc3)CC2)nc(C(F)(F)F)n1 2325802510 LRDZKNWUXKJJJR-UHFFFAOYSA-N 355.320 1.931 0 50 FDAA CCN(CC)CC(=O)N(C)CCN(C)Cc1nc(-c2ccccc2)no1 2325867123 LKJHQMJOTIDPKN-UHFFFAOYSA-N 359.474 1.969 0 50 FDAA Cc1ncc(CC(=O)N(C)CC2(NC(=O)c3cnc(C(C)C)[nH]3)CC2)[nH]1 2325869064 XVZWYZBVSJTIQO-UHFFFAOYSA-N 358.446 1.528 0 50 FDAA COc1ccc(NC(=O)COc2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc1 755030 HLUSGQUDBIZIMC-LJQANCHMSA-N 369.377 1.767 0 50 FDAA Cc1ccc(N2C(=O)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1Cl 870331 MUVQAFIEXRIYAQ-UHFFFAOYSA-N 359.773 1.074 0 50 FDAA CC(C)N1C(=O)CO[C@H](C(=O)NCCc2nccn2C)[C@H]1c1ccccc1 2356163063 VUVXSCKMJUHNOT-MOPGFXCFSA-N 370.453 1.456 0 50 FDAA CS(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccc2c(c1)OCCO2 4197151 SDWLNFDJEFJXAW-UHFFFAOYSA-N 368.455 1.626 0 50 FDAA C[C@H]1COCCN1S(=O)(=O)c1ccc(C(=O)O)cc1OC(F)(F)F 414323372 INBMGRHVBYNTLC-QMMMGPOBSA-N 369.317 1.693 0 50 FDAA CC(=O)NCC1CCN(S(=O)(=O)c2cnc3ccc(F)cc3c2)CC1 225659404 UPSBUZZLOAEMKN-UHFFFAOYSA-N 365.430 1.911 0 50 FDAA Cc1nc(C)c(CC(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)c(=O)[nH]1 56394176 ZSJMZMNZJYUESU-CQSZACIVSA-N 366.425 1.378 0 50 FDAA COCCN1CCC[C@@H](CNC(=O)CCNC(=O)c2ccc(F)cc2)C1 55308396 HRWHKUOWXWHKNV-HNNXBMFYSA-N 365.449 1.420 0 50 FDAA COc1cccc(CN2CCC[C@@](O)(CNCc3ccoc3)C2=O)c1OC 67868394 JFKNGNXOULJMKU-HXUWFJFHSA-N 374.437 1.940 0 50 FDAA COc1c(F)ccc(C(=O)N2CCc3c(c(C(=O)O)nn3C)C2)c1F 67847807 NIRBTEAVHKDXIV-UHFFFAOYSA-N 351.309 1.604 0 50 FDAA CCS(=O)(=O)N1CCC(C(=O)NCCSCc2ccco2)CC1 67604467 ACMITNGBHZAODW-UHFFFAOYSA-N 360.501 1.691 0 50 FDAA CC(C)C[C@@H](NC(=O)c1cc2ccccn2n1)c1nnc2n1CCNCC2 67771505 DHHNYDDWZVYWAC-OAHLLOKOSA-N 367.457 1.589 0 50 FDAA CCn1nc(C(=O)O)c2c1CC[C@H](N1CCc3nnc(C(C)C)n3CC1)C2 67840102 LBZPWGSFWQGBTD-ZDUSSCGKSA-N 372.473 1.732 0 50 FDAA C[C@@H]1C[C@@H](C(=O)O)CN(C(=O)NCCN2CCc3ccccc3C2=O)C1 422592049 SBYSNEYKRFGASJ-UKRRQHHQSA-N 359.426 1.437 0 50 FDAA COc1cccc(OCc2nc(C(=O)N3CCC(C(N)=O)CC3)co2)c1 67894322 LDFQLAGWPONAFK-UHFFFAOYSA-N 359.382 1.600 0 50 FDAA Cc1ccc(CCC(=O)N2CC[C@@H](N(C)Cc3cc(O)nc(N)n3)C2)o1 328648405 ULSUWZYDPWLNIL-CQSZACIVSA-N 359.430 1.331 0 50 FDAA CC(=O)N(CC(=O)O)[C@@H]1CCCN(C(=O)c2sc(C)nc2C)CC1 328654412 XKDZVWKOZYKTEG-CYBMUJFWSA-N 353.444 1.688 0 50 FDAA CCN(CC)Cc1cnc2c(C(=O)N3CCC[C@]4(CCNC4)C3)cnn2c1 72166990 QDKOMQDNDAQGLH-HXUWFJFHSA-N 370.501 1.787 0 50 FDAA Cc1cc(C(=O)N2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)[nH]n1 72462843 XOWZKMPXSBUTJR-CQSZACIVSA-N 364.396 1.705 0 50 FDAA NC(=O)c1ncn([C@H]2CCCN(C(=O)NCC[C@H]3C[C@H]4CC[C@H]3C4)C2)n1 332998937 GPDJZFZNKAOFFU-AJNGGQMLSA-N 360.462 1.550 0 50 FDAA NS(=O)(=O)[C@H]1CCCN(C(=O)c2c[nH]cc2-c2ccc(F)cc2)C1 360421731 FDUZSYHFMGMKKJ-ZDUSSCGKSA-N 351.403 1.714 0 50 FDAA O=C1CC2(CCN(C(=O)N[C@H]3CCN(c4ccccc4F)C3)CC2)CN1 368177078 FIXZISHDXJTDSR-AWEZNQCLSA-N 360.433 1.716 0 50 FDAA O=C(O)c1ccc(CCNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)cc1 238081146 UMMMACONQLTJIY-LBPRGKRZSA-N 358.316 1.454 0 50 FDAA O=S(=O)(N[C@H]1CCCN(C2Cc3ccccc3C2)C1)N1CCCCC1 72157629 IHPVBEXQVJAIRI-SFHVURJKSA-N 363.527 1.939 0 50 FDAA Cn1ncnc1CN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 157873577 AJKFPGSLQKPVFL-QGZVFWFLSA-N 355.490 1.244 0 50 FDAA Cc1cccc2nc(C(=O)N3CCOC[C@H]3CC(=O)N3CCCC3)c(F)n12 72432148 OXZRWQKBSFXSBB-CQSZACIVSA-N 374.416 1.635 0 50 FDAA O=C(c1cccc(-n2cnnn2)c1)N1CC[C@@](O)(c2ccc(F)cc2)C1 375029088 GCILPZUMRCQQQW-SFHVURJKSA-N 353.357 1.535 0 50 FDAA O=C(NC1CC1)[C@H]1CCCN(C2CCN(C(=O)CC(F)(F)F)CC2)C1 15069035 WUFOJZCZGKFGSU-LBPRGKRZSA-N 361.408 1.920 0 50 FDAA COC(=O)C1CCN(C[C@@H](O)COc2cccc(CN(C)C)c2)CC1 15074347 KOTRWJULFUEJIA-QGZVFWFLSA-N 350.459 1.373 0 50 FDAA CN(Cc1cnc(N2CCOCC2)nc1)Cc1cc(-c2ccccn2)no1 216132187 OUPWFSKVDMJGLG-UHFFFAOYSA-N 366.425 1.995 0 50 FDAA CN(c1ccccc1)S(=O)(=O)NC(=O)c1ccc(-c2ncn(C)n2)cc1 241587947 OYIBKIPTPGIUGI-UHFFFAOYSA-N 371.422 1.593 0 50 FDAA COc1ccc(S(=O)(=O)NCC(C)(C)N2CCOCC2)cc1Cl 42157652 RXFAFNRPZLEOSB-UHFFFAOYSA-N 362.879 1.738 0 50 FDAA CC[C@@H](O)CNC(=O)c1cn2cc(-c3ccccc3Cl)n(C)c(=O)c2n1 72408047 FTWJHTRRAGBQET-LLVKDONJSA-N 374.828 1.854 0 50 FDAA Cc1cc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)no1 71750753 GOTVADRZFTWBAN-CQSZACIVSA-N 360.458 1.578 0 50 FDAA COC(=O)NCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccncc3)C2)C1 82166539 YISZFFVXVYHPII-LJQANCHMSA-N 374.441 1.169 0 50 FDAA O=C(NCCc1nc2ccc(F)cc2[nH]1)c1n[nH]c(=O)c2ccccc12 80939940 LTYWQHBUNBDJQB-UHFFFAOYSA-N 351.341 1.911 0 50 FDAA CNc1cc(C)nc(N[C@H]2C[C@@H](c3cc(N4CC[C@H](O)C4)ncn3)C2)n1 220020994 YPIDZKQEKJPNFG-IHRRRGAJSA-N 355.446 1.546 0 50 FDAA O=C(NCC1C2CC3CC(C2)CC1C3)N1CCN(CCn2cncn2)CC1 426360051 PKRXXFINBHUUPY-UHFFFAOYSA-N 372.517 1.678 0 50 FDAA CCc1nc2cc(S(=O)(=O)N3CC(n4nc(C)nc4C)C3)ccc2o1 289756924 GUACIBQSVXQPEH-UHFFFAOYSA-N 361.427 1.844 0 50 FDAA COc1ccccc1N1CCN(C(=O)c2cn3ccsc3n2)CC1=O 82108139 UFKUGGFJQINLNO-UHFFFAOYSA-N 356.407 1.893 0 50 FDAA CN1CCC(CCC(=O)N2CCN(c3ccc4nccn4n3)CC2)CC1 426545028 JMWBOOPURKXDAC-UHFFFAOYSA-N 356.474 1.500 0 50 FDAA CO[C@@H]1COCC[C@H]1NC(=O)CCCn1nnc(-c2ccc(F)cc2)n1 222762698 AQFBBCHKEAYKFI-HUUCEWRRSA-N 363.393 1.180 0 50 FDAA Nc1cc(-c2ccc(C(=O)NCc3cc4n(n3)CCCNC4)cc2)ncn1 426421897 OIPIMACTHNIRNS-UHFFFAOYSA-N 363.425 1.346 0 50 FDAA C[C@@H]1Oc2ccc(NC(=O)NCCSc3nc[nH]n3)cc2N(C)C1=O 426550112 XVKBRNRUXVSPDV-VIFPVBQESA-N 362.415 1.462 0 50 FDAA CCN1CCN(C(=O)Nc2cc(Cl)c3c(c2)NC(=O)CO3)[C@H](C)C1=O 426470798 JNOCNGNPGXTADI-SECBINFHSA-N 366.805 1.755 0 50 FDAA Cc1cc(F)ccc1-n1cc(C(=O)N2CCN(Cc3ccon3)CC2)nn1 179587453 REPHKQDKFCORFL-UHFFFAOYSA-N 370.388 1.661 0 50 FDAA Cc1nc(-c2cccnc2)ncc1C(=O)N1C[C@@H](CO)C[C@H](CN(C)C)C1 91690659 QZKVODNOLRWKGG-CVEARBPZSA-N 369.469 1.479 0 50 FDAA O=C(CC1CC1)N1CCC(c2nnc(Cn3cncn3)n2C2CC2)CC1 91441359 LRVPAHYUIQHVBP-UHFFFAOYSA-N 355.446 1.759 0 50 FDAA COc1ccc([C@H]2CN(C(=O)Cn3nc4ccccc4n3)C[C@@H]2N)cc1 92065027 JUHZGJAQKPFZIP-CVEARBPZSA-N 351.410 1.393 0 50 FDAA CN1CC[C@@]2(CCC1=O)CN(C(=O)Nc1ccc3c(c1)OCO3)CCN2C 95379512 MUPCHRYZGPIBDA-IBGZPJMESA-N 374.441 1.576 0 50 FDAA Cn1c(Cn2cccn2)nnc1[C@H]1CCCN(CCC(=O)N2CCCC2)C1 95357197 IMJMQWVEBHRIGR-INIZCTEOSA-N 371.489 1.252 0 50 FDAA Cn1cc(CN(C(=O)[C@H]2CC(=O)N(Cc3ccncc3)C2)C2CC2)cn1 95496630 MUIGZYVMKOGOPV-INIZCTEOSA-N 353.426 1.355 0 50 FDAA CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCN(C)S(C)(=O)=O 91585900 OKJJUBNIZCNOGJ-UHFFFAOYSA-N 350.444 1.112 0 50 FDAA CCC[C@H](NC(C)=O)C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O 91655918 AWZYLIFRPSWDCJ-INIZCTEOSA-N 358.442 1.717 0 50 FDAA C[C@H]1CCCCN1C1CN(C(=O)c2cc(S(N)(=O)=O)ccc2F)C1 97578766 IKMPOHXVITVVSI-NSHDSACASA-N 355.435 1.172 0 50 FDAA O=C(NCCc1cn2ccsc2n1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 92046611 QXXPAOCFETVDJN-CYBMUJFWSA-N 369.450 1.498 0 50 FDAA Cc1cc2n(n1)CCCN(C(=O)Cn1nc(C)c3ccccc3c1=O)C2 91649965 RUUVIVWFEDHOQI-UHFFFAOYSA-N 351.410 1.642 0 50 FDAA CCN1CCN(CC(=O)N2CCC[C@H](c3ccc(C(=O)O)cc3)C2)CC1 95392008 XCIAGYBCWWQFBS-SFHVURJKSA-N 359.470 1.728 0 50 FDAA Cc1ccc(NC(=O)[C@@H]2CNC[C@H](C(=O)NCc3cnn(C)c3C)C2)cc1 91604890 JUTIUVXJIKPPNN-CVEARBPZSA-N 369.469 1.518 0 50 FDAA CCCN1C[C@H](NC(=O)c2oc(C)nc2C)C[C@H]1C(=O)N(CC)CC 96160998 MAPBOWNFWGJSBV-CABCVRRESA-N 350.463 1.743 0 50 FDAA O=C(Cn1sc2ccccc2c1=O)N1CCCN(C(=O)C2CCC2)CC1 95523899 CZWTXMABMGQRQM-UHFFFAOYSA-N 373.478 1.924 0 50 FDAA Cc1ccn(CC(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3)n1 95363760 DBCNVLZOYCJJOJ-KRWDZBQOSA-N 352.438 1.856 0 50 FDAA Cc1cc(C)n([C@H]2CCN(CC(=O)Nc3nc(C)c(C(=O)O)s3)C2)n1 244884205 YHIKNVXOTMYDEQ-LBPRGKRZSA-N 363.443 1.849 0 50 FDAA Cc1scc(CCNC(=O)CCN(C)[C@@H]2CCS(=O)(=O)C2)c1C 244718909 LTEAQQOGHHRPKK-OAHLLOKOSA-N 358.529 1.533 0 50 FDAA C[C@H](C(=O)Nc1nncs1)N1CCC(CCC(=O)N2CCCC2)CC1 252501337 UEHYRYLBNLHQGE-CYBMUJFWSA-N 365.503 1.980 0 50 FDAA 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FDAA O=C1C[C@H](C(=O)N2C[C@H]3[C@@H](NC(=O)c4ccoc4Cl)C[C@H]3C2)CO1 1875407950 KVIULFBYWKDXSE-XPXLGCRWSA-N 352.774 1.073 0 50 FDAA CCn1c(C[C@]2(O)CCCN(C(C)=O)C2)nnc1N(C)c1ccccc1 952887244 MDLGHQYHHCOKNV-LJQANCHMSA-N 357.458 1.982 0 50 FDAA COCc1nc([C@H]2CN(C(=O)c3cn(C(C)C)cn3)C[C@@H]2C2CC2)n[nH]1 952848712 SFTAUUOKFNSXGH-KGLIPLIRSA-N 358.446 1.994 0 50 FDAA C[C@H](OCC1CC1)C(=O)NC[C@H]1CCN1C(=O)c1ccc(N(C)C)cc1 1875349568 BSVPZSAMOAICFB-KBXCAEBGSA-N 359.470 1.898 0 50 FDAA CN(Cc1cnn2c1CN(c1ncccn1)CC2)C(=O)[C@H](F)C1CCC1 1875358513 YMZIOSJXUQITQG-MRXNPFEDSA-N 358.421 1.790 0 50 FDAA CC(C)CCc1nc(CCn2ccc(O)nc2=O)n(CC(F)(F)F)n1 952869024 KUQGKPBKEUNOHC-UHFFFAOYSA-N 359.352 1.934 0 50 FDAA CCN1C(=O)C[C@@H](CNC(=O)COc2ccccc2)[C@@H]1c1nccn1C 886031071 IPHBQUJHIZXWAB-KBXCAEBGSA-N 356.426 1.525 0 50 FDAA CSc1nc(C)cc(N2CC[C@H](NC(=O)c3ccccn3)[C@@H](O)C2)n1 1565505830 MJGMAUBUUNCZAH-JSGCOSHPSA-N 359.455 1.272 0 50 FDAA CC(=O)c1cccc(C(=O)N[C@H]2CCN(Cc3c(C)noc3C)C[C@@H]2O)c1 1565528883 RDMMPNCFWYPQLR-OALUTQOASA-N 371.437 1.859 0 50 FDAA O=C1O[C@H]2CN(Cc3cccc(F)c3)C[C@H]2N1CCCN1CCOCC1 1565516962 YLARJBSBWRYFAJ-MSOLQXFVSA-N 363.433 1.553 0 50 FDAA CN(C)c1cccc([C@H]2CCCN2C(=O)Cn2ncn3nccc3c2=O)c1 1318667980 OHFUUQJJWWDUPA-MRXNPFEDSA-N 366.425 1.321 0 50 FDAA COc1ccc(C)cc1[C@@H](C(=O)O)N1CCN(C)C2(CCN(C)CC2)C1 1506430470 BDIOFCYXHYEURD-SFHVURJKSA-N 361.486 1.841 0 50 FDAA CCC[C@H]1CN(C(=O)c2c(C)[nH]c(C(C)=O)c2C)C[C@@H]1NS(C)(=O)=O 219837113 YXJHXXKTTZXOCR-KBPBESRZSA-N 369.487 1.624 0 50 FDAA CCN1N=C(c2ccccc2)Cn2c1nc1c2c(=O)n(CC)c(=O)n1C 5148184 KGUGTWXVYDMDOI-UHFFFAOYSA-N 352.398 1.161 0 50 FDAA COc1ccc(CNC(=O)CC[C@H]2CCCN(CCO)C2)c(OC)c1 12431958 VTNGPSDJVVRRIX-OAHLLOKOSA-N 350.459 1.805 0 50 FDAA O=C1NCCN(Cc2ccc(Cl)c(F)c2)[C@H]1CC(=O)N1CCOCC1 15074649 SMASWYIYXOLCOV-HNNXBMFYSA-N 369.824 1.028 0 50 FDAA COC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 16490081 OXXFQDUYMHFAMA-KBPBESRZSA-N 370.471 1.247 0 50 FDAA O=C(Cc1ccc2c(c1)CCCO2)N[C@H]1C[C@H](Cn2cccn2)C[C@@H]1O 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Cc1cc(C)n2[nH]c(=NC(=O)CCn3cnc4ccccc4c3=O)cc2n1 1875247397 UTNZIXHTGIVKBR-UHFFFAOYSA-N 362.393 1.507 0 50 FDAA Cc1cn2nc(N[C@@H]3CC(=O)N(C)[C@H]3c3c(C)nn(C)c3C)sc2n1 328614417 VZTPSEGILROIFH-BXUZGUMPSA-N 359.459 1.833 0 50 FDAA CN1CC[C@@H](N2CCC(NC(=O)c3cc(O)ccc3Cl)CC2)C1=O 332426837 YKATWCLKVXMVRE-OAHLLOKOSA-N 351.834 1.471 0 50 FDAA COc1ccc(Cl)cc1-n1cc(S(=O)(=O)N2CCN[C@@H](C)C2)cn1 237166944 BZIWXVCWQLIUFX-NSHDSACASA-N 370.862 1.517 0 50 FDAA Cc1cc(C)n(-c2cccc(C(=O)N3C[C@H]4COC[C@@H](C3)CN4C)c2)n1 1704305991 SVDZKCPNPWGTFX-APWZRJJASA-N 354.454 1.892 0 50 FDAA C[C@@H](CC(C)(C)C)C(=O)N[C@H]1CCN(C(=O)c2cnc3n2CCOC3)C1 2325842707 GHNYHAANSAEFQD-KBPBESRZSA-N 362.474 1.816 0 50 FDAA C[C@H](CN(C)C(=O)CCCN(C)C)NC(=O)Cc1cc(C2CC2)on1 2325867028 IFTBHUMFWOACCF-CYBMUJFWSA-N 350.463 1.399 0 50 FDAA Cn1cnc(C(=O)N2C[C@@H]3CN(C(=O)CCn4cccc4)C[C@]3(C)C2)c1 993327092 TYZBRYUAXLZSES-HNAYVOBHSA-N 355.442 1.232 0 50 FDAA Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCC1)n2CCCc1ccccc1 629067 UOPCRMSFDAZYHY-UHFFFAOYSA-N 353.426 1.656 0 50 FDAA CC(C)CC[C@@]1(C(=O)O)CN(C(=O)c2c(Cl)cnn2C)CC[C@H]1O 2356155184 ASQDQUBRADTGEV-MLGOLLRUSA-N 357.838 1.788 0 50 FDAA c1nc2cc(CN3CCc4nc(C5CCOCC5)nn4CC3)ccn2n1 2356168242 VTLCVPBEVYNGNB-UHFFFAOYSA-N 353.430 1.273 0 50 FDAA CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C)CC2)cc1 4998487 JMPVWYWGVOOAID-UHFFFAOYSA-N 354.472 1.964 0 50 FDAA CCn1nnc2cc(C(=O)N3CCN(C4CCOCC4)C[C@H]3C)ccc21 225609305 YDPXTFIGAWRUEI-CQSZACIVSA-N 357.458 1.777 0 50 FDAA COCCOc1cc(OC)ccc1C(=O)Nc1ccc(-n2cncn2)nc1 472764883 RMBHGWWPTXPPMX-UHFFFAOYSA-N 369.381 1.948 0 50 FDAA COC[C@@H](NC(=O)Nc1nc(Cc2ccccc2)n[nH]1)c1ccnn1C 20454346 YXKPHGPFZMXYMF-CYBMUJFWSA-N 355.402 1.638 0 50 FDAA Cc1cc(C)cc(NC(=O)CC(=O)N2CCN(C)C3(CCN(C)CC3)C2)c1 67446836 ZIMVMWZRVZYDRN-UHFFFAOYSA-N 372.513 1.870 0 50 FDAA Cc1nc(NCCS(=O)(=O)N2CCCC2)cc(C2CCNCC2)n1 67771428 FAUDPZBBPWVWOA-UHFFFAOYSA-N 353.492 1.090 0 50 FDAA CCCN1C(=O)CC[C@H]2CN(C(=O)c3c[nH]c(=O)c(Cl)c3)CC[C@H]21 72462547 CUHOSCBANMRLNA-SMDDNHRTSA-N 351.834 1.891 0 50 FDAA CCc1nccn1[C@H]1CCCN(C(=O)NC[C@@H]2CCCS2(=O)=O)C1 124689621 CMPCVCRWUQQYJY-KBPBESRZSA-N 354.476 1.369 0 50 FDAA O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N[C@@H]1Cc2cccc(O)c2C1 252515771 NGGKCQAJXFSEEC-RBSFLKMASA-N 356.422 1.541 0 50 FDAA Cn1nc(C(=O)O)c2c1CCN(C(=O)[C@H](Cc1cnc[nH]1)n1cccc1)C2 67724760 LYWFTFHLSLRDOK-HNNXBMFYSA-N 368.397 1.012 0 50 FDAA CCn1c(C2CCNCC2)nn(Cc2ccc(C(F)(F)F)nc2)c1=O 65426599 GQSCODJIAFZGFS-UHFFFAOYSA-N 355.364 1.994 0 50 FDAA Cc1ccccc1NC(=O)CCNc1cc(N2CCOCC2)nc(N)n1 65418927 AFXKDRLXYYPYOF-UHFFFAOYSA-N 356.430 1.645 0 50 FDAA Cc1ncc(C(=O)N2CCC([C@H](O)CCc3ccccc3)CC2)c(=O)[nH]1 77453125 CNDDPQTYVNWRLJ-GOSISDBHSA-N 355.438 1.924 0 50 FDAA O=C(CN1CCN(c2ncccn2)CC1)N1N=CC[C@@H]1c1ccccc1 35808613 UIOQZXQKPRAPQC-QGZVFWFLSA-N 350.426 1.558 0 50 FDAA CNC(=O)C(C)(C)CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1 154244530 NGYLRXXSEYKQEY-MRXNPFEDSA-N 359.470 1.736 0 50 FDAA O=C(CC[C@@H]1CCOC1)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1 328616440 BRWKGNXKTISUSV-NVXWUHKLSA-N 360.458 1.793 0 50 FDAA COCCN1C[C@@]2(CCCN(C(=O)Cc3ccc(O)cc3)C2)CCC1=O 77424682 RZDGJYGLHXHAFU-FQEVSTJZSA-N 360.454 1.812 0 50 FDAA O=C(CCc1cccc2c1OCO2)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 329992595 XRMOHNLDXLSJMX-CQSZACIVSA-N 351.424 1.526 0 50 FDAA CS(=O)(=O)c1ccc(C2(C(=O)NCCCn3ccnn3)CCC2)cc1 219195083 HJQUIGAQTGIYRB-UHFFFAOYSA-N 362.455 1.310 0 50 FDAA Cc1nc2n(c1C)CCN(C(=O)/C=C/c1ccc(S(N)(=O)=O)cc1)C2 373947561 RQSSGTUWNXRKSD-VMPITWQZSA-N 360.439 1.203 0 50 FDAA Cc1cc(Br)cc(C(=O)N2CCC[C@H](S(N)(=O)=O)C2)c1 132049788 SIWFIHDFPCKRDW-LBPRGKRZSA-N 361.261 1.651 0 50 FDAA CN1CCN(C(=O)[C@H]2CNCCN2C(=O)c2cc3ccccc3s2)CC1 72148473 ZQQZVJIRCGLBTG-OAHLLOKOSA-N 372.494 1.089 0 50 FDAA N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC(CCN2CCCC2=O)CC1 77564257 BWYGRHCYARUHRG-SFHVURJKSA-N 359.470 1.513 0 50 FDAA Cc1cc(F)ccc1S(=O)(=O)NCC(=O)N1CCCC[C@H]1CCCO 219723522 JOKFZQAGGQOXNV-HNNXBMFYSA-N 372.462 1.566 0 50 FDAA Cn1nccc1CN1C[C@@H](F)C[C@H]1CNc1nc(O)c2ccccc2n1 377176323 BBMGEOGVBMSFHZ-JSGCOSHPSA-N 356.405 2.093 0 50 FDAA 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COc1cccc([C@H]2C[C@@H](O)CN2C(=O)c2cnn3ccc(C)nc23)c1 282618583 VTTJVKQAGRLNCY-RHSMWYFYSA-N 352.394 1.994 0 50 FDAA CCCN(CCOC)C(=O)C[C@@H]1C(=O)NCCN1C1Cc2ccccc2C1 72143517 MWUHPBMXHGLIIA-LJQANCHMSA-N 373.497 1.229 0 50 FDAA Cc1cc(=O)nc(SCC(=O)N[C@@H](Cn2cccn2)c2ccccc2)[nH]1 215538617 WZFHOAAEACKMBW-HNNXBMFYSA-N 369.450 1.925 0 50 FDAA O=S(=O)(Nc1ccc(-c2noc(C(F)F)n2)cc1)N1CCOCC1 332357994 CHKNYXKJLIEEEH-UHFFFAOYSA-N 360.342 1.663 0 50 FDAA C[C@]1(O)C[C@@H](NS(=O)(=O)c2cc(Br)c(F)cc2F)C1 332428968 GMZOTPQVEZGGOW-JCJUMFQOSA-N 356.188 1.919 0 50 FDAA CCCN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCN4CCCCC4)C(=O)[C@H]13)O2 77323703 WKHXGNFZXBPMDF-CLWJZODNSA-N 361.486 1.123 0 50 FDAA CCC(CC)N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2cnccn2)[C@H]3C1=O 77406228 GHMZIACKTAYPRV-CLWJZODNSA-N 370.453 1.406 0 50 FDAA CNC(=O)CCC(=O)N1CCC[C@@H](c2cc(N3CCCC3)nc(C)n2)C1 72480453 OYIRJPFAICXTEO-OAHLLOKOSA-N 359.474 1.617 0 50 FDAA CC(C)CC(=O)N1CCN(Cc2ccccc2F)[C@H]2CS(=O)(=O)C[C@H]21 72424131 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Cc1nc(CNC(=O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)n[nH]1 426360099 HANKGBJHKHGXEU-UHFFFAOYSA-N 374.404 1.806 0 50 FDAA Nc1nc(C2CC(O)C2)cc(N2CCN(CCc3ccccc3)CC2)n1 223798857 JPGKAXYPHJAIEN-UHFFFAOYSA-N 353.470 1.662 0 50 FDAA Nc1nc2c(c(C(=O)N[C@@H]3CC(=O)N(Cc4ccccc4)C3)n1)CCCC2 222468995 DWVOQWFBAAJAJG-CQSZACIVSA-N 365.437 1.469 0 50 FDAA Cc1ccc(-c2cccc(C(=O)NCCN3CCC[C@H](C(N)=O)C3)c2)nn1 426525788 COLQTYASILMMHY-KRWDZBQOSA-N 367.453 1.379 0 50 FDAA C[C@H]1C(=O)N(C)CCN1C(=O)NCCc1nccc(-c2ccccc2)n1 426746048 CKRVFWAKQLYQJJ-AWEZNQCLSA-N 353.426 1.558 0 50 FDAA Cc1[nH]nc2c1CN(C(=O)NCCc1nc(-c3cccnc3)n[nH]1)CC2 426604253 HISQMEMHNQEWFA-UHFFFAOYSA-N 352.402 1.209 0 50 FDAA Nc1nc([C@@H]2CCOC2)cc(N2CCC(CCN3CCCC3=O)CC2)n1 426388399 LBTNCZUFIOGEQQ-OAHLLOKOSA-N 359.474 1.792 0 50 FDAA Cc1ncc(S(C)(=O)=O)c(NCC2(N3CCOCC3)CCCCC2)n1 95386206 CXQCFCBYEZKTRI-UHFFFAOYSA-N 368.503 1.636 0 50 FDAA CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H](O)c2ccccc2)cc1 92038332 UZJCWKGDEOTOMK-KRWDZBQOSA-N 362.451 1.838 0 50 FDAA Cc1ncc2c(c1CNC(=O)[C@H]1CC(=O)Nc3ccc(F)cc31)CCNC2 91893536 NFZPMOWDNPKSAG-INIZCTEOSA-N 368.412 1.917 0 50 FDAA COCC(=O)Nc1cc(NC(=O)N[C@H](C)c2cnn(C)c2)ccc1OC 96151463 AHQJCPRGDKYUHK-LLVKDONJSA-N 361.402 1.896 0 50 FDAA NCCC(=O)N1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2 91536289 OBOMLGKBTKINPP-UHFFFAOYSA-N 351.397 1.655 0 50 FDAA CCn1ccnc1CN1CCN(C)[C@@]2(CCC(=O)N(CC3CC3)CC2)C1 230178028 BTMBBUKBVFREHR-HXUWFJFHSA-N 359.518 1.812 0 50 FDAA O=C(O)[C@@H]1CN(C(=O)c2ccccc2-n2cncn2)C[C@H]1c1cccnc1 91745325 WDWWHQFZEPNXCO-JKSUJKDBSA-N 363.377 1.603 0 50 FDAA CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccc[nH]2)CN1Cc1cccnc1 96133615 QIMJSCMLLSSGQO-WMZOPIPTSA-N 369.469 1.651 0 50 FDAA CC1(C)SC[C@H](C(=O)NC2CCN(Cc3ccccn3)CC2)NC1=O 97819619 XLRAVWOVVOKXCM-OAHLLOKOSA-N 362.499 1.172 0 50 FDAA Cn1ccnc1C1CCN(C(=O)[C@H]2CC(=O)N(Cc3cccnc3)C2)CC1 97785201 HFPATILNEYPJJI-KRWDZBQOSA-N 367.453 1.570 0 50 FDAA COCCN1CCC[C@@]2(CCN(CCC(=O)Nc3cccnc3)C2)C1=O 92107105 RYGQDKGGAOPXKO-IBGZPJMESA-N 360.458 1.371 0 50 FDAA COc1ccc2oc(=O)c(C(=O)Cn3ccc(=NC(C)=O)cc3)cc2c1 334157247 AMHDFUPXJDDHCX-UHFFFAOYSA-N 352.346 1.933 0 50 FDAA COCCn1ccnc1[C@@H]1CCCN(C(=O)c2c(C)nc3ncccn23)C1 91625099 JWQRDSXUJKWBBR-OAHLLOKOSA-N 368.441 1.900 0 50 FDAA COCCN1CCC[C@]2(CCN(C(=O)c3nn(C)cc3Cl)C2)C1=O 91650474 IROJFEDLZCCFEU-MRXNPFEDSA-N 354.838 1.175 0 50 FDAA C[C@H](C(=O)NCCc1nnc(N)s1)N1C(=O)c2cccc3cccc1c23 244794879 QVMZKUGWUNYBBP-SNVBAGLBSA-N 367.434 1.981 0 50 FDAA COc1ccc(NC(=O)C[C@H]2N=C(O)N(Cc3ccccc3)C2=O)cn1 252527736 DFJDRAGZAASOPJ-CQSZACIVSA-N 354.366 1.744 0 50 FDAA Cc1nn(CC(N)=O)c(C)c1-c1ccc(C(=O)NCc2cnn(C)c2)cc1 534664012 WDSFVFNETQJXOU-UHFFFAOYSA-N 366.425 1.316 0 50 FDAA CNc1ncc(CN(C)c2nc(-c3cccnc3)nc3c2cnn3C)cn1 72124092 MJBNIYQWFFJYCZ-UHFFFAOYSA-N 361.413 1.893 0 50 FDAA OC1CN(c2nc(NCc3cncn3C3CC3)cc([C@H]3CCOC3)n2)C1 299795828 LFCMZMLBTDOJPH-LBPRGKRZSA-N 356.430 1.305 0 50 FDAA CCCN1C[C@@H](C(=O)N2CCN(c3ccc4nccn4n3)CC2)CCC1=O 299765123 WHXZONBEANSAET-HNNXBMFYSA-N 370.457 1.027 0 50 FDAA 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1.477 0 50 FDAA Cn1cnc(C(=O)NC[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2cnn(C)c2)c1 952853030 WRDYGQIOCKLRFD-PXAZEXFGSA-N 356.430 1.026 0 50 FDAA O=C(c1cnc2n1CCC2)N1CC[C@H]([C@@H]2CCCN2c2ncccn2)C1 1875407526 BUJHAGUYKOKGSO-GJZGRUSLSA-N 352.442 1.750 0 50 FDAA C[C@H]1C[C@@H](C)O[C@H]1C(=O)NC[C@@H]1CC2(CC2)CN1C(=O)c1cccnn1 1875406954 PMAWEXOGVHFFJT-KNCOVGOOSA-N 358.442 1.401 0 50 FDAA Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C3(C)CC3)CCC2(F)F)nn1 1875408473 XKHJNYTWAJIMMM-GFCCVEGCSA-N 352.385 1.799 0 50 FDAA CC(C)CNC(=O)c1cccc(NC(=O)C[C@H]2C(=O)N(C)C(=O)N2C)c1 952989755 UCFOLAKHTAHGNF-AWEZNQCLSA-N 360.414 1.293 0 50 FDAA Cn1cnnc1C[C@@]1(O)CCCN(Cc2ccc(N3CCCC3)nc2)C1 886088908 PIUCIAYXGGJUEL-IBGZPJMESA-N 356.474 1.380 0 50 FDAA CC(=O)NCc1cc(O[C@@H]2CCN(Cc3nc(C4CC4)no3)C2)ccn1 886050379 AGFPBMQRICYDMR-MRXNPFEDSA-N 357.414 1.631 0 50 FDAA CC(=O)NCc1cc(O[C@@H]2CCN(C[C@@H](O)Cc3ccccc3)C2)ccn1 886050518 VRQBSZIDBFOSSG-PZJWPPBQSA-N 369.465 1.774 0 50 FDAA CCN1C(=O)C[C@@H](CNCc2cccc3c2OCO3)[C@@H]1c1nccn1C 886054994 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1.931 0 50 FDAA O=C(CCCC[C@@H]1[C@H]2NC(=O)N[C@H]2CS1(=O)=O)Nc1cccc(F)c1 245237530 MJZVKPHPVLUFGI-GUTXKFCHSA-N 369.418 1.172 0 50 FDAA C[C@@H](CC(=O)NCc1cc2n(n1)CCCN(C(=O)N(C)C)C2)n1ccnc1 82127362 MIZIQRBQPJFMHB-AWEZNQCLSA-N 373.461 1.234 0 50 FDAA O=C(O)Cn1ccc([C@@H]2CCCN(C(=O)Cc3ccc(CO)cc3)C2)n1 426372527 VLUJZLWPFCNYPK-MRXNPFEDSA-N 357.410 1.409 0 50 FDAA NC(=O)c1ccc(-c2cccc(C(=O)N3CCC[C@H](C(N)=O)C3)c2)s1 426438938 UABKJMMQOTYKQY-ZDUSSCGKSA-N 357.435 1.852 0 50 FDAA CC(=O)c1cc(-c2cccc(C(=O)NC[C@@]3(O)CCNC3)c2)ccc1O 426513748 SWULQZNQTYZGHH-HXUWFJFHSA-N 354.406 1.716 0 50 FDAA Cc1ccccc1-c1noc(CCCC(=O)N[C@@H]2CN[C@H](C(=O)O)C2)n1 426589040 NIGVCFSRHFIKNS-JSGCOSHPSA-N 358.398 1.299 0 50 FDAA O=C(NCCCc1nn[nH]n1)N1CCN([C@@H]2CCc3ccccc3C2)CC1 426490459 IAPSFBAHXAHMSH-QGZVFWFLSA-N 369.473 1.017 0 50 FDAA CN1C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCN(c4ccccc4Cl)C3)CC[C@@H]21 290903304 MHMBZDLBBKDRLO-XPKDYRNWSA-N 362.861 1.791 0 50 FDAA CC(C)n1cnnc1CCNC(=O)c1cccc(-c2cnc(N)nc2)c1 426486002 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1875320955 OTJHINAFZUSQIZ-MRXNPFEDSA-N 370.400 1.416 0 50 FDAA Cn1cccc(NC(=O)c2cc(S(N)(=O)=O)cc(F)c2Cl)c1=O 1875361161 SJXMOLAXPFUJTD-UHFFFAOYSA-N 359.766 1.078 0 50 FDAA C=CC(=O)N1CCC(C(=O)N[C@@H](C)c2cccc(N3CCNC3=O)c2)CC1 1875367557 NXURPYSTLJPMBB-AWEZNQCLSA-N 370.453 1.818 0 50 FDAA O=C(Nc1ccnc2ccnn12)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 1875309365 LPFDOEGPRSYHOR-CQSZACIVSA-N 371.422 1.809 0 50 FDAA Cc1cc(N2CCN=C2NCc2sncc2Br)n(C)n1 1875405673 LRKZXBGQMBSLFO-UHFFFAOYSA-N 355.265 1.913 0 50 FDAA O=C(Cn1cccn1)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)C12CC2 1875407376 YJLGESXCAOYBPN-LUKYLMHMSA-N 356.470 1.817 0 50 FDAA CC(C)c1cc(C(=O)N(Cc2ccccn2)C[C@@H]2CCC(=O)N2)nc(N)n1 952860411 PAHJUVVALQVFGX-AWEZNQCLSA-N 368.441 1.498 0 50 FDAA CC(=O)N1C[C@@H](NC(=O)c2cccc(C(N)=O)c2)CC[C@@H]1C(F)(F)F 886039588 WSPODIDOJWHQGN-QWHCGFSZSA-N 357.332 1.457 0 50 FDAA CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC[C@@H](C(=O)O)[C@H]1CCOC1 1345171986 VPVHZQYDJMTBQY-JQHSSLGASA-N 374.437 1.376 0 50 FDAA C=CC(=O)NCc1ccc(C(=O)Nc2c(C(N)=O)n[nH]c2C(C)C)cc1 1468968055 VINIJUIAHPIMNO-UHFFFAOYSA-N 355.398 1.687 0 50 FDAA CN1CCN(C(=O)Nc2ccc(-n3ccnn3)cc2)C[C@H]1c1nccn1C 275404824 CERDZLJWZZXMBF-INIZCTEOSA-N 366.429 1.521 0 50 FDAA CC(=O)N1CCc2c(ncn(CC(=O)N3CCC[C@H]4CCCC[C@H]43)c2=O)C1 275534215 MCVGDSAZJWCAQN-CRAIPNDOSA-N 372.469 1.329 0 50 FDAA Cn1ccnc(N2CCC[C@@H](NCc3nc4ccccc4n3C)C2)c1=O 275586687 PJSYMXQYYWBJMD-CQSZACIVSA-N 352.442 1.426 0 50 FDAA Cc1noc(CCNC(=O)N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1 170616916 MEACMELPGWGWEX-CYBMUJFWSA-N 367.450 1.961 0 50 FDAA COC(=O)N[C@@H](C(=O)OC[C@@H]1COCCN1C(=O)OC(C)(C)C)C(C)C 783163314 OTDBWJZHMXTOLC-QWHCGFSZSA-N 374.434 1.546 0 50 FDAA COc1cc(C(=O)N2CCCN(Cc3nc(C4CC4)no3)CC2)ccn1 1704356506 YIUXJTDMYGEHCG-UHFFFAOYSA-N 357.414 1.699 0 50 FDAA CC1=NN(CCc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C 5148024 OSOGPSJOOWPRIL-CYBMUJFWSA-N 366.425 1.433 0 50 FDAA C[C@@H]1CS(=O)(=O)N(c2cccc(C(=O)NCc3cccnc3)c2)C1=O 11859387 PYGPBHGTJTTXAK-GFCCVEGCSA-N 359.407 1.324 0 50 FDAA Cc1c(C(=O)N2CCOCC2)sc2ncnc(NCCCN(C)C)c12 12128829 IRPDOWBPDZDNJX-UHFFFAOYSA-N 363.487 1.836 0 50 FDAA O=C1C[C@H](NS(=O)(=O)N2CCCC2)CN1Cc1ccccc1Cl 12583510 FUSLUBQMZBRIFG-ZDUSSCGKSA-N 357.863 1.371 0 50 FDAA O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCN1CCOCC1 13473134 FNRFQMFMZBFZCC-UHFFFAOYSA-N 365.433 1.814 0 50 FDAA CCOC(=O)[C@@H]1[C@@H](c2cccc(F)c2)NC(=S)N[C@@]1(O)C(F)(F)F 13522380 QJLVSWMMXNBJGU-CWSCBRNRSA-N 366.336 1.775 0 50 FDAA CC[C@H](C)[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3cccc(F)c3F)CN2C1=O 14530600 FJRJCJOOHKTYDH-MJVIGCOGSA-N 365.380 1.209 0 50 FDAA Cc1n[nH]c(C)c1CN(C)Cc1ccc(C(=O)NC[C@H]2CCCO2)c(=O)[nH]1 15005237 UKSJVPSWWJIZIF-OAHLLOKOSA-N 373.457 1.256 0 50 FDAA O=S(=O)(O)c1cc(I)c(O)c2ncccc12 19336232 ZBJWWKFMHOAPNS-UHFFFAOYSA-N 351.121 1.792 0 50 FDAA biogenic,world COc1ccccc1C(=O)NCCNc1ccc(-n2ccc(C)n2)nn1 19924056 JNHIPTMKAZIPRF-UHFFFAOYSA-N 352.398 1.821 0 50 FDAA COc1cc(N2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)nc(OC)n1 1857670071 OGIUFSZMGRMTAQ-IBGZPJMESA-N 370.409 1.748 0 50 FDAA CCCCn1nc(CC(=O)NC)nc1-c1ccc(N2CCOCC2)nc1 1857677323 WFWARXZBUCDGPS-UHFFFAOYSA-N 358.446 1.265 0 50 FDAA Cc1noc2nc3c(c(C(=O)N4CCc5[nH]nc(C(=O)O)c5C4)c12)CCC3 1857678391 XLOWREZGWASUJS-UHFFFAOYSA-N 367.365 1.640 0 50 FDAA CN(C)C(=O)CCC(=O)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857680160 CQBGQDAFOQAMEE-LJQANCHMSA-N 359.426 1.131 0 50 FDAA C[C@@H](C(N)=O)N1CCC2(CC1)CC(=O)N(C/C=C/c1ccccc1)CCO2 1857681466 KNROBWBTUXYBPS-JZLODUJNSA-N 371.481 1.657 0 50 FDAA COc1ccc(N2CCN(C(=O)[C@@H]3Cc4ccccc4C(=O)N3)CC2)cn1 1857682759 RNVMGDHMWBSYPK-KRWDZBQOSA-N 366.421 1.094 0 50 FDAA NC(=O)N1CCC[C@H]1C(=O)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857699158 PSTPPXKPLAUZPW-INIZCTEOSA-N 353.426 1.547 0 50 FDAA CCCc1nnc(N2C[C@@H](C(=O)NCC3(O)CCCCC3)CC2=O)s1 1857700117 NLAILJUSPOUTTM-LBPRGKRZSA-N 366.487 1.655 0 50 FDAA CCc1cc(N2CCN3C(=O)OC[C@@]3(CC)C2)nc(N2CCOCC2)n1 1857704401 QLOZHLNKSOZYIO-GOSISDBHSA-N 361.446 1.297 0 50 FDAA COC1(C(=O)N2CCC3(CCc4c(O)nc(C)nc43)CC2)CCNCC1 1857718305 SFBGZRXXHDGKPX-UHFFFAOYSA-N 360.458 1.066 0 50 FDAA CCn1ccnc(N2CCC(NC(=O)c3cccn3C3CC3)CC2)c1=O 328635935 NUWXEAPCHJHZNL-UHFFFAOYSA-N 355.442 1.798 0 50 FDAA CC(=O)NCc1ccc(NC(=O)Cn2ncc(=O)c3ccccc32)cc1 497968951 RBKCORCRWPWLNF-UHFFFAOYSA-N 350.378 1.671 0 50 FDAA CN(C)c1cncc(N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)n1 1704339730 KCHNZBFXOPTCKS-LJQANCHMSA-N 353.474 1.883 0 50 FDAA Cc1ccnc(-c2noc(COc3nsnc3N3CCOCC3)n2)c1 829015648 OOGFBIQUIKNFSX-UHFFFAOYSA-N 360.399 1.707 0 50 FDAA CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)Cc1nnc(O)c2ccccc12 928729284 AQKILLTUTVONPZ-HNNXBMFYSA-N 356.426 1.784 0 50 FDAA COc1cccc2c1C[C@H](NC(=O)[C@H](O)[C@H](O)c1nc3ccccc3[nH]1)C2 2325751438 AOTNHQQEJHTCNC-OCBCSQNSSA-N 367.405 1.249 0 50 FDAA Cn1c(CC(=O)Nc2cnc3c(c2)C[C@@H](N)CC3)nnc1-c1ccccc1 2325795189 NXOZHZDUALGFAS-HNNXBMFYSA-N 362.437 1.874 0 50 FDAA Cc1nn2cccnc2c1NC(=O)c1cccc(N2CCN(C)CC2)n1 2325810528 PMNUXTAIRXHDQI-UHFFFAOYSA-N 351.414 1.437 0 50 FDAA O=C(N[C@H]1c2cccc(O)c2C[C@H]1C(=O)O)c1ccc(=NCC2CC2)[nH]c1 2325820998 NMUBYVYZKDCGHF-QAPCUYQASA-N 367.405 1.759 0 50 FDAA CC[C@@H]1CCO[C@@H]1C(=O)N1CCN(C(=O)c2[nH]nnc2C2CC2)[C@H](C)C1 2325839174 LBYZUILKVNKTGB-HSMVNMDESA-N 361.446 1.170 0 50 FDAA COC(=O)c1cccc([C@H]2CCCN(C(=O)c3nc(OC)n(C)n3)C2)c1 2356148760 QNNZEOMLGFHZOE-AWEZNQCLSA-N 358.398 1.630 0 50 FDAA Cn1ncc2ncc(C(=O)N3CCC[C@@]4(C3)C(=O)Nc3cccnc34)cc21 2356149276 RZVPNABMSYGPOP-IBGZPJMESA-N 362.393 1.489 0 50 FDAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(C(=O)CCc2cc(Cl)no2)C1 2356161311 PDVDYRLCYSOMAD-QGZVFWFLSA-N 361.833 1.970 0 50 FDAA CNC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)ccc1C 6701766 VDEKOJLAJUMFRY-UHFFFAOYSA-N 362.407 1.927 0 50 FDAA Cc1cc(C)n2ncc(C(=O)NCCNC(=O)c3ccc(F)cc3)c2n1 55625751 IFZKPAFHDBMQLS-UHFFFAOYSA-N 355.373 1.645 0 50 FDAA Cc1ccc(S(=O)(=O)N2CCC(Cn3cc([C@@H](C)O)nn3)CC2)cc1 23478170 JMUAAQGWTKNQQL-CQSZACIVSA-N 364.471 1.741 0 50 FDAA COc1ccc([C@@H]2NN(Cc3ccccc3)[C@H]3C(=O)N(C)C(=O)[C@H]23)cc1 101801643 JEJFYSPDACMZPU-FGTMMUONSA-N 351.406 1.740 0 50 FDAA Cc1ccc(C2(O)CCN(C(=O)CCN(C)[C@@H]3CCN(C)C3)CC2)nc1 67756772 KWRKDTHOAMOGBB-QGZVFWFLSA-N 360.502 1.226 0 50 FDAA C[C@H](O)c1cn(CC2CCN(c3cc(-n4cccn4)ncn3)CC2)nn1 20256127 APWHUYHLDLLWCR-ZDUSSCGKSA-N 354.418 1.224 0 50 FDAA CCOC(=O)CNc1ncc(CN(C)Cc2n[nH]c3c2CCCC3)cn1 67641496 CEHPKDGDNHIZJF-UHFFFAOYSA-N 358.446 1.686 0 50 FDAA Cc1nn(C)cc1CNC[C@@]1(O)CCCN(CCc2ccccc2)C1=O 67675624 XYEZXHPNMBWXKI-FQEVSTJZSA-N 356.470 1.414 0 50 FDAA CCn1cc(S(=O)(=O)N2CCN(Cc3cccc(OC)c3)CC2)cn1 20215378 NZWKAMXSKCMGGZ-UHFFFAOYSA-N 364.471 1.418 0 50 FDAA COCCN1C[C@H](C(=O)NC2CCN(Cc3ccccc3C)CC2)CC1=O 121183341 RMPWSEQSNKHTBW-GOSISDBHSA-N 373.497 1.571 0 50 FDAA COc1cc2[nH]c(=O)c(CN3CCC[C@@H]3C(N)=O)cc2c(OC)c1OC 67694712 IQVCIRWVZGZOEB-CYBMUJFWSA-N 361.398 1.004 0 50 FDAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)NC(=O)NCc1ccccc1 252452665 UYVJUEDTOSULCU-BBWFWOEESA-N 373.453 1.819 0 50 FDAA CS(=O)(=O)N(C1CCC1)[C@@H]1CCCN(Cc2ccc(CO)o2)CC1 328627808 GNNVKYWSWBXBMS-OAHLLOKOSA-N 356.488 1.941 0 50 FDAA C[C@@H](C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cccs1)n1cncn1 328626841 FMIXITCZORJRBB-IHRRRGAJSA-N 351.451 1.972 0 50 FDAA CCOC(=O)CNC(=S)N(C)[C@H]1c2cccc(OC)c2OC[C@H]1CO 3134536 GSNMSGVXLXAOLE-IAQYHMDHSA-N 368.455 1.107 0 50 FDAA CS(=O)(=O)N1CCc2c(ncn(C[C@@H]3CCc4ccccc4C3)c2=O)C1 328602866 CZQWPTIMNHNUHI-CQSZACIVSA-N 373.478 1.366 0 50 FDAA O=C1CC[C@]2(CCCN(CCCn3cnnn3)C2)CN1Cc1ccccn1 72419027 JRYXFWYLEOAZQW-IBGZPJMESA-N 369.473 1.363 0 50 FDAA CCOCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCC(F)(F)CC2)[C@@H]3C1=O 77487723 VETDXZJGXPUVEC-CFAJVAMVSA-N 370.396 1.063 0 50 FDAA CC(C)c1cc(C(=O)N2CCOC[C@@H]2CC(=O)N2CCSCC2)no1 72430007 APOLTAROQMFSBL-ZDUSSCGKSA-N 367.471 1.605 0 50 FDAA Cc1cc(N2CCN(C(=O)c3cn[nH]n3)CC2)nc(-c2ccccc2O)n1 72165069 NHVZITBTADCPHY-UHFFFAOYSA-N 365.397 1.238 0 50 FDAA CC(C)c1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(Cl)cnc1N 155853150 QTZFQLTXZLUGLQ-SNVBAGLBSA-N 370.866 1.846 0 50 FDAA O=C(O)c1csc(S(=O)(=O)N2CCN3CCOc4cccc2c43)c1 367419187 OZAOYWPYFHIDQQ-UHFFFAOYSA-N 366.420 1.854 0 50 FDAA Cc1c(F)cc(C(=O)O)cc1S(=O)(=O)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 333936383 KIWDXIBBPVJUOK-ZMJPVWNMSA-N 353.371 1.406 0 50 FDAA O=S(=O)(N[C@@H]1CCOC[C@H]1Oc1ccccn1)c1ccc(F)cc1F 219326017 UGFDXUKQSGIWNJ-ZIAGYGMSSA-N 370.377 1.875 0 50 FDAA CCc1nc2c(c(NCc3nc(-c4ncccn4)no3)n1)CCNCC2 72411076 QGFCBSXLFIVOHA-UHFFFAOYSA-N 352.402 1.179 0 50 FDAA COCCN1C[C@H](NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)CC1=O 72411147 ZCMYZVMNBHKCQE-MRXNPFEDSA-N 370.453 1.395 0 50 FDAA Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(S(=O)(=O)C2CC2)C1 72463892 ZNACHNDEKXMTKZ-AWEZNQCLSA-N 367.519 1.473 0 50 FDAA Cc1n[nH]c(C)c1CCC(=O)N1CCNC[C@@H]1C(=O)Nc1ccc(F)cc1 72129620 MEAKJEIGEQBPFR-QGZVFWFLSA-N 373.432 1.537 0 50 FDAA CCCc1nc(C(=O)N2CCOC[C@@](O)(CN3CCCC3)C2)cs1 77439605 KQHVPFSEYXOBCH-QGZVFWFLSA-N 353.488 1.395 0 50 FDAA CCC(=O)N1CCCC[C@H]1C(=O)NS(=O)(=O)Cc1ccc(C)cc1F 240465817 GALIYMZGUXEWCP-HNNXBMFYSA-N 370.446 1.871 0 50 FDAA COc1ccc(F)c(F)c1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1 218807153 WBFYQCOAHOZMEV-ITDAGMBRSA-N 352.381 1.955 0 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FDAA O=C(O)c1cnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)cn1 263504750 LSEZEVDVSONGPL-UHFFFAOYSA-N 360.345 1.042 0 50 FDAA Cc1onc(N)c1S(=O)(=O)N(C)Cc1cn(C)nc1C(F)(F)F 290790144 QHAJNROYJZHSCO-UHFFFAOYSA-N 353.326 1.138 0 50 FDAA O=C(Cc1ccc(-n2cnnn2)cc1)N[C@@H]1CCN(c2ccccc2F)C1 292147159 IIASPAOCCJDPCE-OAHLLOKOSA-N 366.400 1.739 0 50 FDAA Cc1cc(C(F)(F)F)nn1CCCNC(=O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 225746160 HTSWKCQLFDXXHD-AAXDQBDMSA-N 373.331 1.371 0 50 FDAA CN(C[C@@H]1COCCO1)C(=O)c1ccc(-c2cncc(C(N)=O)c2)cc1 426428834 FQUBPTKZSSYPNG-QGZVFWFLSA-N 355.394 1.335 0 50 FDAA Cc1nn2cc(CNC(=O)Cn3nnc(-c4ccc(F)cc4)n3)nc2s1 223765846 AFWAJVKHMQXRFI-UHFFFAOYSA-N 372.389 1.208 0 50 FDAA Cc1cc2[nH]c(CN3CCC[C@H](C(=O)c4ccccn4)C3)cc(=O)n2n1 334159596 JDCOYDOFZKKTJV-AWEZNQCLSA-N 351.410 1.821 0 50 FDAA CCCn1cc(S(=O)(=O)N2CC[C@@]3(CCCN(C(C)C)C3=O)C2)cn1 91593821 NKDMDZICWRLDHE-KRWDZBQOSA-N 368.503 1.705 0 50 FDAA CC(C)(CNC(=O)N1CCC[C@H](c2cc(O)ncn2)C1)N1CCOCC1 426668195 CAEXUOTYSWWVDY-AWEZNQCLSA-N 363.462 1.182 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2cccc3ccccc23)CN1CCO 96165262 LZEZPVGDOGHYME-HKUYNNGSSA-N 369.465 1.070 0 50 FDAA O=C1N(C[C@@H]2COCCO2)C(=O)C2(CCNCC2)N1CCc1ccccc1 95358727 VGDJTMNTDLQIDH-QGZVFWFLSA-N 373.453 1.031 0 50 FDAA O=C(c1cccc(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)c1)N1CCCCC1 95357736 GXSGWCQIDOSLRA-GJZGRUSLSA-N 369.462 1.291 0 50 FDAA O=C(c1ccc(-n2cnnn2)cc1)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2 95362107 GNPFOPQTJPXGAN-VQIMIIECSA-N 366.469 1.999 0 50 FDAA COCC(=O)N1CCC[C@@H](C(=O)N(C)Cc2ccc3nsnc3c2)C1 95387164 XUNSCGOEKNLNPG-CYBMUJFWSA-N 362.455 1.535 0 50 FDAA CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cnc(-c2ccncc2)nc1 97495066 VUDJLXVXJMXBCE-QGZVFWFLSA-N 355.442 1.721 0 50 FDAA COc1ccc2nc(CCNC(=O)C3CCN(C(=O)C4CC4)CC3)[nH]c2c1 91695261 HDJSHYIUZMCOTN-UHFFFAOYSA-N 370.453 1.879 0 50 FDAA COc1cccc([C@@H]2CN(CCC(=O)NC3CC3)C[C@H]2C(=O)O)c1OC 91713250 HLDFICVXIUFSJK-LSDHHAIUSA-N 362.426 1.473 0 50 FDAA Cn1ccnc1CN1CCN(C(=O)[C@@H]2CCCN(C3CCCC3)C2)CC1 95378435 QAQWWWCGPFUWJI-QGZVFWFLSA-N 359.518 1.719 0 50 FDAA CN(C)C(=O)c1cc2c(s1)CCN(C(=O)[C@@H]1CC(=O)N(C3CC3)C1)C2 91849124 YUXVIQCUFDLWJN-GFCCVEGCSA-N 361.467 1.346 0 50 FDAA CC(=O)N1CCC[C@H](C(=O)N2CCC3(CC2)C(=O)N(C)c2ccccc23)C1 95362458 LLFKYVJEBNOBIB-INIZCTEOSA-N 369.465 1.782 0 50 FDAA CN(C)c1ccc(CN2C[C@H]3CN(C4CCOCC4)C[C@@]3(C(=O)O)C2)cn1 96152800 HLINMCAWXQKMJF-JXFKEZNVSA-N 374.485 1.145 0 50 FDAA Cc1nccc(C2CCN(C(=O)C3CCN(C(=O)N(C)C)CC3)CC2)n1 244882727 XXLKVYDORVVJSH-UHFFFAOYSA-N 359.474 1.885 0 50 FDAA COc1ccc(CNC(=O)[C@H](C)OC[C@@H]2CCCCO2)cc1C(=O)O 299752043 SNDZXJXOEXLSTJ-JSGCOSHPSA-N 351.399 1.984 0 50 FDAA C[C@H](N[C@@H](C)c1nc(C(C)(C)C)no1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 185136516 NFSXCRJTTOBDLR-SDDRHHMPSA-N 372.491 1.052 0 50 FDAA O=S(=O)(c1ccccc1Cl)N1CCN(C[C@@H](O)C(F)(F)F)CC1 185176956 DVLVALAJUYATJS-GFCCVEGCSA-N 372.796 1.570 0 50 FDAA COc1cccc(C(=O)NCCC(=O)N[C@H](C)c2nc(C3CC3)no2)c1 252506627 WBTTUXHVBPMBIB-LLVKDONJSA-N 358.398 1.953 0 50 FDAA CCN(CC)CCNC(=O)c1nnn2cc(-c3ccccc3)nc(O)c12 263618467 TYIONGOJLQFXMS-UHFFFAOYSA-N 354.414 1.569 0 50 FDAA CCCCN1C(=O)CC[C@H](C(=O)NCC(=O)O)[C@H]1c1ccccc1OC 268945369 ONTIKMYCNDDARB-KBXCAEBGSA-N 362.426 1.976 0 50 FDAA COc1cccc(C)c1C(=O)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 299759152 PPYWWLAHMOIWAR-QOIOWGMHSA-N 361.438 1.632 0 50 FDAA COCC(=O)NCc1cc2n(n1)CCN(Cc1cc(F)ccc1OC)C2 299765936 XNRRMBQPSABDFG-UHFFFAOYSA-N 362.405 1.309 0 50 FDAA CCCn1cc(NC(=O)NC[C@H](c2ccccn2)N2CCOCC2)nn1 299783770 YQXADKPTBBPRSG-OAHLLOKOSA-N 359.434 1.278 0 50 FDAA Cn1nc(CNC(=O)[C@H]2CCCCn3nnnc32)c2c(Cl)cccc21 299787610 OBOWWTXSBSOLOS-JTQLQIEISA-N 359.821 1.797 0 50 FDAA O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCOc2ccc(Cl)cc2C1 825569616 XRRPFPQCWMNNMW-NSHDSACASA-N 358.847 1.679 0 50 FDAA O=C(NCc1ccc2nc[nH]c2c1)N1CCC(N2CCC[C@@H](O)C2)CC1 584899779 UDQKDXNNFTWSTL-MRXNPFEDSA-N 357.458 1.694 0 50 FDAA COc1ccccc1-c1cc(CNC(=O)N2CCN(C)C(=O)[C@H]2C)on1 584899640 NCYUDJLPZSXGMH-GFCCVEGCSA-N 358.398 1.722 0 50 FDAA COc1ccnc(NC2CC(NC(=O)[C@H]3CCc4nc(C)cn4C3)C2)n1 1875407856 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C[C@@H]1Cc2cc(NC(=O)CN3CCN(c4ncccn4)CC3)ccc2O1 952974987 RBSZGLICNIWPPX-CQSZACIVSA-N 353.426 1.561 0 50 FDAA CCN1C(=O)C[C@@H](CNC(=O)c2ncncc2Cl)[C@@H]1c1cccnc1 886034142 VAMDSHYDSNEKKT-LRDDRELGSA-N 359.817 1.865 0 50 FDAA Cn1ccnc1[C@H]1[C@H](NC(=O)CCn2cccn2)CCC(=O)N1C1CC1 886094886 GEFGHWTZOUCKBN-RHSMWYFYSA-N 356.430 1.018 0 50 FDAA Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC(=O)c1ccc(CN)cc1 1565512242 JBXMOQOBDRESOL-ROUUACIJSA-N 359.426 1.854 0 50 FDAA CCc1noc(CNC(=O)N2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)n1 1565525296 LSVANTZJAQYVGB-OLZOCXBDSA-N 374.397 1.421 0 50 FDAA CCS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)CNC(=O)C3)cc1 1318988577 KSZWLKKFKMKUHF-UHFFFAOYSA-N 350.440 1.223 0 50 FDAA C=CC(=O)NCc1ccc(C(=O)N2CCCN(C(=O)C3CC3)CC2)cc1 275489696 WAMDZESWZPNKTH-UHFFFAOYSA-N 355.438 1.573 0 50 FDAA Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)c2ccc(C(F)(F)F)cn2)cn1 277451691 JWOQBQGXPNDDIC-ZJWNCGCPSA-N 372.372 1.780 0 50 FDAA C[C@H]1CN=C(N2CCN(C(=O)c3cccnc3-n3ccnc3)CC2)S1 170595078 SMBUINMAFSYHCP-ZDUSSCGKSA-N 356.455 1.516 0 50 FDAA NS(=O)(=O)N1CCC(C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)CC1 280705009 XDAAVLCMOHYRKV-GOEBONIOSA-N 369.462 1.494 0 50 FDAA CC(=O)N1CCCc2ccc(S(=O)(=O)N3C[C@@H](C)[C@H](CO)C3)cc21 189178643 QWTHKMCXOJUSSJ-DOMZBBRYSA-N 352.456 1.235 0 50 FDAA Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)CN2CCCC2=O)C1 190535442 WEQGHOHAWBEYKO-AWEZNQCLSA-N 350.488 1.354 0 50 FDAA NS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2csc3ccccc23)C1 194189338 PQCKNCUNDJJJJZ-NSHDSACASA-N 353.469 1.547 0 50 FDAA COc1ccc(S(=O)(=O)NCCCn2nc(C)nc2C)cc1Cl 1506410107 DJVICNTUYCDJAZ-UHFFFAOYSA-N 358.851 1.926 0 50 FDAA CN(C)CCc1nnc(NC(=O)[C@@H]2CC(=O)N(Cc3cccnc3)C2)s1 1529146392 ODXYKLNGDPMTNO-CYBMUJFWSA-N 374.470 1.024 0 50 FDAA Cc1cccc(CNC(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)n1 1529177742 FORSNMLKPMRAQM-MOPGFXCFSA-N 366.421 1.532 0 50 FDAA COc1ccc(-c2cc(C(=O)O)n[nH]2)cc1S(=O)(=O)N1CCCC1 1848442378 RNWNXOARUKCJIQ-UHFFFAOYSA-N 351.384 1.568 0 50 FDAA Cc1cc(N)n(CC(=O)N2CCCN(C(=O)c3ccc(Cl)o3)CC2)n1 1772707449 UEYDSIRJCVAICC-UHFFFAOYSA-N 365.821 1.395 0 50 FDAA O=C(CCCn1cncn1)N[C@@H]1CCCN(C2Cc3ccccc3C2)C1 11704064 SEXNPGODYQIZKB-GOSISDBHSA-N 353.470 1.806 0 50 FDAA CCN1C[C@@H](CN(C)c2nc3nonc3nc2N2CCCCCC2)CC1=O 11712206 WJSTZOOEOQCWPH-CYBMUJFWSA-N 373.461 1.698 0 50 FDAA CC(=O)NCCC(=O)N1CC[C@@]2(CCCN(Cc3cccc(C)c3)C2=O)C1 12192817 IFVXSVFQXKMNGD-NRFANRHFSA-N 371.481 1.862 0 50 FDAA Cc1cc(Cl)ccc1OCCCC(=O)N1CCN(S(C)(=O)=O)CC1 16603624 TXTXLWSTVQWARD-UHFFFAOYSA-N 374.890 1.911 0 50 FDAA O=C(c1cn2ccccc2n1)N1CCN(Cc2ccco2)[C@@H](CCO)C1 19147748 LJICNUMGCXGLHG-HNNXBMFYSA-N 354.410 1.636 0 50 FDAA Cc1ccc2nc[nH]c(=NC[C@@H](c3cccnc3)N3CCOCC3)c2n1 1857673248 LWYGUOYKLFPXSU-KRWDZBQOSA-N 350.426 1.636 0 50 FDAA CC[C@@H](NC(C)=O)C(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1 1857673674 QYLFWWOKWJEOSD-QGZVFWFLSA-N 354.454 1.929 0 50 FDAA CN(C)c1ncccc1-c1nc([C@@H](O)c2ccccc2)nn1CCCO 1857679262 QWJGJHBIVCNRIC-INIZCTEOSA-N 353.426 1.870 0 50 FDAA CN(C)c1nc(O)c2c(n1)[C@@]1(CCCN(c3ncccc3C(=O)O)C1)CC2 1857697546 COGJBYSRSLQPBZ-IBGZPJMESA-N 369.425 1.826 0 50 FDAA Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N1CC3(CNC(=O)N3C)C1)O2 1857698108 XUTQXULDPIIPSN-IBGZPJMESA-N 373.453 1.637 0 50 FDAA CN1CCOC[C@H]1C(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1 1857709700 MNKXKIVDMYXLGM-SFHVURJKSA-N 354.454 1.345 0 50 FDAA CCc1nnc(N2C[C@H](C(=O)N3CCn4nc(C)cc4C3)CC2=O)s1 1857713206 LEUQNTBTYQDQPY-LLVKDONJSA-N 360.443 1.001 0 50 FDAA Cc1nc2ccc(CNC(=O)[C@H]3CC(=O)N(c4nnc(C)s4)C3)cc2[nH]1 1857715788 IHOMOBPEOPLXKX-LBPRGKRZSA-N 370.438 1.701 0 50 FDAA C[C@@H]1CN([C@@H](CNC(=O)C2(N)CC2)c2c(F)cccc2Cl)CCO1 237429792 DGDNCXMDVVSPJR-RISCZKNCSA-N 355.841 1.848 0 50 FDAA C[C@@H](CNC(=O)N1CCO[C@@H](CO)C1)Oc1ccccc1Br 334082924 GMJDTZIPBYNICY-NWDGAFQWSA-N 373.247 1.619 0 50 FDAA CC(C)[C@]12O[C@@H]1[C@@H]1O[C@@]13[C@]1(O[C@@H]1C[C@H]1C4=C(CC[C@]13C)C(=O)OC4)C2=O 257547032 SWOVVKGLGOOUKI-BZVMJPNASA-N 358.390 1.311 0 50 FDAA biogenic Cc1ncc(C(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)c(C(C)C)n1 266308995 SMXUEQLAEJQOSW-LBPRGKRZSA-N 356.430 1.750 0 50 FDAA CCc1ccc(-c2cc(C(=O)N3CCO[C@@H](c4nnn(C)n4)C3)n[nH]2)cc1 2100548372 ZDUNWRYOADWTCU-MRXNPFEDSA-N 367.413 1.376 0 50 FDAA Cc1c(C(=O)OCc2ccc3c(c2)CN(C)C3)nnn1-c1ccn(C)n1 2325774741 OZBIYJUIIPUGBK-UHFFFAOYSA-N 352.398 1.612 0 50 FDAA O=C(CCCn1cccn1)N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O 2325785721 KPBSVNWQQBPKPK-NWANDNLSSA-N 351.838 1.469 0 50 FDAA O=C(C[C@@H]1CNC[C@H]1O)N(CCn1ccnc1)Cc1cccc(Cl)c1 2325795441 FNGDCNVKAUVXRR-NVXWUHKLSA-N 362.861 1.536 0 50 FDAA Cc1ccc2nc3c(cc(C(=O)NCCCn4ccnc4)n3C)c(=O)n2c1 2438552 VEPFFALGQKWZRR-UHFFFAOYSA-N 364.409 1.511 0 50 FDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cccn(C)c3=O)C1)CC2 2356134431 MLNKVYGWKKRJQH-FQEVSTJZSA-N 367.453 1.362 0 50 FDAA COC(=O)CCCNC(=O)[C@@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356154153 JSJWFMCBTCQSTR-AFBRZQFHSA-N 371.437 1.388 0 50 FDAA O=S(=O)(c1ccc(F)c(F)c1)N1CCCN(C[C@H]2CCCO2)CC1 247307131 HGCNHRRVHGNMLU-CYBMUJFWSA-N 360.426 1.840 0 50 FDAA O=C(COC[C@@H]1CCCCO1)N1CCN(Cc2ccccc2CO)CC1 55119221 IBWHKOYMLIZUHZ-IBGZPJMESA-N 362.470 1.409 0 50 FDAA CN(C)CCNc1ccc(C(=O)N2CCCN(c3ncccn3)CC2)cn1 67820980 HMMDOGVOPNMOEA-UHFFFAOYSA-N 369.473 1.198 0 50 FDAA O[C@H]1CN(Cc2nc(-c3ccc(F)cc3)cs2)C[C@@H]1N1CCOCC1 20995390 DAOISWCNRSIHBR-IRXDYDNUSA-N 363.458 1.827 0 50 FDAA Cc1ccc2c(c1)c(C(=O)N1CCc3c(c(C(=O)O)nn3C)C1)nn2C 67490444 SVJDJNROAQZGEW-UHFFFAOYSA-N 353.382 1.512 0 50 FDAA Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 20484714 YJISBSRWBQUYRH-GDBMZVCRSA-N 353.488 1.691 0 50 FDAA COC(=O)N1CCC2(CCC(N3CCN(S(C)(=O)=O)CC3)CC2)CC1 67878633 YXJVVTYVBAZEEB-UHFFFAOYSA-N 373.519 1.355 0 50 FDAA CCn1c(CC2CCN(Cc3cccc(C(=O)OC)n3)CC2)n[nH]c1=O 65407323 AQOXQAYJQGVVQO-UHFFFAOYSA-N 359.430 1.228 0 50 FDAA Cc1ccc(C2(O)CCN(C(=O)[C@H]3CC(=O)N(CC(C)C)C3)CC2)nc1 67788655 YVXSZNBDRXOAMO-INIZCTEOSA-N 359.470 1.705 0 50 FDAA O=C(O)c1ccc(S(=O)(=O)N2CC[C@H](N3CC=CC3)C2)cc1Cl 185074176 IBSDRXGRHSQVPS-NSHDSACASA-N 356.831 1.673 0 50 FDAA O=C(NC1CCN(C[C@H]2CCOC2)CC1)N[C@@H]1COc2ccccc2C1 172504672 OKNKRXCRSSYERX-QAPCUYQASA-N 359.470 1.790 0 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363.443 1.421 0 50 FDAA CCc1cc(=O)[nH]c(-c2ccc(NCCN3CCOCC3(C)C)nc2)n1 171945756 GTZDMSWNXIQMER-UHFFFAOYSA-N 357.458 1.917 0 50 FDAA NC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H](CC(=O)O)C2)c1 281717375 CWFRKDGYRNBGMK-SECBINFHSA-N 360.819 1.314 0 50 FDAA C[C@H](Oc1cccc(F)c1)C(=O)N1CCC[C@H](N(C)CC(=O)O)CC1 186657012 LBNINIHZFRPCMS-ZFWWWQNUSA-N 352.406 1.991 0 50 FDAA CC[C@@H]1CN(C(=O)c2ccc(C(=O)N(C)C)nc2C)C[C@]2(CCOC2)O1 408327093 SFZKNZFNNAORAB-KUHUBIRLSA-N 361.442 1.502 0 50 FDAA C[C@H](c1nnnn1C1CC1)N1CCc2c(cccc2NS(C)(=O)=O)C1 191966838 JJZCFYIIQWEPIS-LLVKDONJSA-N 362.459 1.499 0 50 FDAA CCNC(=O)[C@H]1CCN(Cc2nc(N)nc(Nc3cccc(C)c3)n2)C1 1506429128 VNILSZKBHWLRDG-ZDUSSCGKSA-N 355.446 1.464 0 50 FDAA COc1cc2c(cc1OC)CN(c1cc(N3CCOCC3)nc(N)n1)CC2 1529172140 JYOLUMJJQCFZSQ-UHFFFAOYSA-N 371.441 1.475 0 50 FDAA O=C(N[C@H]1CCN(Cc2ccc3nsnc3c2)C[C@@H]1O)c1ccccn1 219406442 JCELUBVPGSPGAV-YOEHRIQHSA-N 369.450 1.452 0 50 FDAA CC(C)c1nc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3CCN)C2)cs1 215370360 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COCc1cc(N2CCC[C@H](C(=O)c3nccn3C)C2)n2nccc2n1 72447636 NFTUTBUHFZMKJK-ZDUSSCGKSA-N 354.414 1.709 0 50 FDAA Cc1cc(C(=O)N2CCC[C@@H](c3nnc(CN4CCCC4)n3C)C2)n(C)n1 72476644 NQHOGJKCQOWXKT-OAHLLOKOSA-N 371.489 1.473 0 50 FDAA CCC1=NO[C@@H](CNC(=O)Cn2nc(C)n(Cc3ccccc3)c2=O)C1 77518996 DQTDINFZDYEEGU-MRXNPFEDSA-N 357.414 1.073 0 50 FDAA Cc1cc(C)c(C(=O)N2CCn3nc([C@@H](O)CC(=O)N(C)C)cc3C2)cn1 219154162 FGLFAYZYMUXRNS-KRWDZBQOSA-N 371.441 1.063 0 50 FDAA C[C@H]1CN(CC(F)(F)F)CCN(C(=O)c2c[nH]nc2[C@H]2CCOC2)C1 333963268 NRZKNFOQWNVLIU-RYUDHWBXSA-N 360.380 1.870 0 50 FDAA CN(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)c1ccc([C@@H]3CCCO3)s1)C2 72134552 KBHUDOHLSKAHRE-ZDUSSCGKSA-N 374.466 1.947 0 50 FDAA Cc1ccc([C@@H](CNC(=O)c2cnn3c2CCCC3)N2CCOCC2)o1 72167368 NJJOPVWKKUTHLD-QGZVFWFLSA-N 358.442 1.924 0 50 FDAA NC(=O)C1(C(=O)N2CCc3ncnc(N4CCCCCC4)c3CC2)CC1 72435843 HFIHBCMNXYZAGR-UHFFFAOYSA-N 357.458 1.050 0 50 FDAA COc1cccc(CN2CCN(C(=O)[C@@H]3CCCCCN3C)CC2=O)c1 77535839 HRUZJDGYJQIPQE-SFHVURJKSA-N 359.470 1.740 0 50 FDAA O=C(C[C@H]1C=CS(=O)(=O)C1)N1CCCN(Cc2ccccc2F)CC1 77378124 NZAJXRVNYMAPST-OAHLLOKOSA-N 366.458 1.808 0 50 FDAA CN(Cc1ccccc1)S(=O)(=O)N1CCC[C@H](N2CCCC2=O)C1 71760424 YDGMWFGVNLHNOD-INIZCTEOSA-N 351.472 1.450 0 50 FDAA O=C(NCCCO)[C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 71405541 MYKCTANCRVNGJZ-FQEVSTJZSA-N 373.541 1.904 0 50 FDAA CCOc1ccc(C(=O)N2CCC(NC(=O)Cc3ccn[nH]3)CC2)cc1 175119300 DOFGTLRLISBAIJ-UHFFFAOYSA-N 356.426 1.772 0 50 FDAA CCc1cccc2c(CC(=O)N3Cc4nnc(C)n4C[C@H]3C(=O)O)c[nH]c12 263435245 OJIUNASYWRPQOV-HNNXBMFYSA-N 367.409 1.668 0 50 FDAA CC(C)c1cc(C(=O)N2CCN(Cc3ccoc3)[C@@H](CCO)C2)n(C)n1 82107932 GEZAXSAXERXGFE-INIZCTEOSA-N 360.458 1.846 0 50 FDAA COc1ccc([C@@H](NC(=O)c2ccnn2CCO)c2ccncc2)cc1 426523725 UCEBZSCHHHVOKU-GOSISDBHSA-N 352.394 1.798 0 50 FDAA Cc1ccc(N2CCN(C(=O)C[C@H]3CN(C(C)C)CCO3)CC2=O)cc1 82115950 VZYFGKNBCLLQSU-SFHVURJKSA-N 359.470 1.670 0 50 FDAA C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)[C@H](O)c1ccccc1 290151667 OLHMNMKUOYJXLU-BAGFXWCHSA-N 373.453 1.725 0 50 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C[C@H](CS(C)(=O)=O)N1CCC2(CC1)OCCc1sc(C(=O)O)cc12 2356143900 BZXXYBVROMUGGI-LLVKDONJSA-N 373.496 1.743 0 50 FDAA NC(=O)CN1C(=O)[C@@](O)([C@@H]2CCc3ccccc3C2=O)c2ccccc21 2881452 SHSGWSWSKKYRHN-QRWLVFNGSA-N 350.374 1.151 0 50 FDAA Cn1cnc2cc(C(=O)N3CCC[C@@]4(CCc5c[nH]nc54)C3)ccc2c1=O 2356159570 HJJIYKSQOWLDEB-HXUWFJFHSA-N 363.421 1.777 0 50 FDAA COC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCCCC3)cc2c1=O 3913562 OTHDZMDQXQTZCI-UHFFFAOYSA-N 364.423 1.500 0 50 FDAA COC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)OCc1ccccc1 4762298 QKUUEZGMKRKEON-JSGCOSHPSA-N 368.455 1.712 0 50 FDAA COc1cccc(-n2c(=O)[nH]c(O)c([C@@H]3OC(=O)c4ccccc43)c2=O)c1 6373244 UNPIHGXGASJGTK-OAHLLOKOSA-N 366.329 1.500 0 50 FDAA CN(C)CCn1c(=O)n(Cc2ccc(F)cc2)c2ncc(C(=O)O)cc21 55042625 MJCXQOVJOONNPG-UHFFFAOYSA-N 358.373 1.645 0 50 FDAA CN(C[C@H](O)COc1ccc(C(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 249690002 XMEPKEVEYFPNLW-HOTGVXAUSA-N 355.500 1.843 0 50 FDAA N#Cc1ccnc(N2CCCn3nc(C(=O)N4CCOCC4)cc3C2)c1 67822189 CYLUOJLZIQYKTQ-UHFFFAOYSA-N 352.398 1.032 0 50 FDAA COc1cc(OC)c(C2=NO[C@H](C(=O)N3CCN(C)CC3)C2)cc1Cl 20481712 FOCIZGIPOKNPFD-INIZCTEOSA-N 367.833 1.624 0 50 FDAA O=C1CC[C@@H](C(=O)N2CCC(c3cc(Cc4ccccc4)n[nH]3)CC2)N1 67804704 SJVKFNOULCSCLM-KRWDZBQOSA-N 352.438 1.985 0 50 FDAA CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCCC[C@H]2[C@@H](C)N)cc1 237349974 AZASNSLMEIVDEU-HDEOUBMNSA-N 351.472 1.336 0 50 FDAA O=C(CN1CCC2(CC1)C[C@@H]2C(=O)N1CCCCC1)NC[C@@H]1CCCO1 332804445 NBEBWFWGOFQCQN-DLBZAZTESA-N 363.502 1.396 0 50 FDAA CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C[C@@H]1c1ncc[nH]1 328617050 CIKXXEIIJCVMFF-CYBMUJFWSA-N 358.826 1.880 0 50 FDAA O=C(c1cnc2c(c1)N=C(O)CO2)N1CC[C@@H](c2nc(C3CC3)no2)C1 329074182 BFWOGLKOWNMONK-SNVBAGLBSA-N 355.354 1.952 0 50 FDAA CCc1cc(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)nc(C)n1 329304659 OKVMPPHSOFMTPI-UHFFFAOYSA-N 367.500 1.623 0 50 FDAA COc1cccc(OCc2cc(C(=O)N3CC[C@H](NC(C)=O)C3)n[nH]2)c1 67770129 JXBUVFJFXJJMHH-ZDUSSCGKSA-N 358.398 1.348 0 50 FDAA O=S1(=O)CCC(S(=O)(=O)NCCOC2CCCCCC2)CC1 329589324 YBTBPUZEBFJUDS-UHFFFAOYSA-N 353.506 1.222 0 50 FDAA CCn1c(C2CCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)n[nH]c1=O 67641349 AVYASIUCCSEIBV-UHFFFAOYSA-N 368.441 1.806 0 50 FDAA O=C(Cn1nnc2ccccc2c1=O)N1CC[C@@]2(C1)OCc1ccccc12 329905465 JOYCHLAXKSWAEC-FQEVSTJZSA-N 362.389 1.450 0 50 FDAA CCCN(CC)C[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)NC)c1 253429267 RCSGTEZASXTMHS-LBPRGKRZSA-N 359.467 1.584 0 50 FDAA CN(CCc1ccccn1)c1ncccc1CNC(=O)c1csnn1 12298017 ZPXLUVBDYFLRKN-UHFFFAOYSA-N 354.439 1.937 0 50 FDAA NC(=O)C1(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)CC1 72129723 LSEKDUMTSQTJTE-GVDBMIGSSA-N 357.429 1.480 0 50 FDAA CCn1ccnc1CN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C(C)(C)C)C(=O)[C@H]13)O2 77503948 MNBWFYZQOXMOAT-YEOLMYPVSA-N 372.469 1.442 0 50 FDAA Nc1nc2c(c(N3CCN(Cc4ccccc4F)CC3)n1)CCNCC2 72422983 DYJQGJWHURZJRQ-UHFFFAOYSA-N 356.449 1.208 0 50 FDAA Cc1nc2c(c(N(C)C)n1)CCN(C(=O)CCc1n[nH]c3c1CCCC3)C2 71747721 HDIBOQKSOCAGCH-UHFFFAOYSA-N 368.485 1.970 0 50 FDAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(CCCO)C(C)C)cc1 72121787 OTZLHQHSKJVDEN-GOSISDBHSA-N 361.486 1.305 0 50 FDAA O=C(c1ccc(=O)n(-c2ccc(F)cc2)n1)N1CCC(O)(C(F)F)CC1 331606901 VLYWHRPXGNVBDA-UHFFFAOYSA-N 367.327 1.604 0 50 FDAA Cc1cc(C)c(CN2CCN(C(=O)c3ncn[nH]3)CC2)c(-n2cccn2)c1 215927137 IDJCIPIACCGBDG-UHFFFAOYSA-N 365.441 1.565 0 50 FDAA CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](C(=O)Nc2nccs2)C1 363653329 YEJKPVRRKQDEEC-NWDGAFQWSA-N 368.484 1.242 0 50 FDAA CS(=O)(=O)c1cccc(NC(=O)N2CCC[C@H](Cn3ccnn3)C2)c1 156374574 MHPWAEQYNMEJCW-ZDUSSCGKSA-N 363.443 1.626 0 50 FDAA Cc1nc(=O)c2c([nH]1)CCN(Cc1cnc(NC[C@@H]3CCCO3)nc1)CC2 215190742 HEJYMOMENDZVNY-HNNXBMFYSA-N 370.457 1.060 0 50 FDAA O=C(CCc1nc(-c2ccccc2)no1)N1Cc2cnn(CCO)c2C1 77471515 KTJDIOHJYUENLR-UHFFFAOYSA-N 353.382 1.400 0 50 FDAA Cc1nnc2n1C[C@@H](NC(=O)Nc1ccccc1N1CCCC1=O)CC2 378542992 ZHVIYWSMWZIILF-ZDUSSCGKSA-N 354.414 1.850 0 50 FDAA C[C@@H](O)C(=O)N1CCC2(CC1)CN(CCN(C)C1CCCCC1)C(=O)O2 72423084 OJUAPIJIWREYCJ-OAHLLOKOSA-N 367.490 1.445 0 50 FDAA C[C@H](O)c1cn(C2CN(Cc3ccc(Oc4cnccn4)cc3)C2)nn1 374820826 QBMXGVJDFDUFQP-ZDUSSCGKSA-N 352.398 1.971 0 50 FDAA Cc1c(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)cnn1-c1ccc(=O)[nH]n1 262429055 RKBSODPYDYNLOE-YUTCNCBUSA-N 371.397 1.122 0 50 FDAA O=C(Cc1ccc(Cl)cc1)N1CCOC[C@](O)(CN2CCCC2)C1 77302631 ZSRJHMHJRPQPBZ-SFHVURJKSA-N 352.862 1.568 0 50 FDAA COCCn1c(C)cc(C)c(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1=O 218075702 OGCTVLOLTACSHB-JXFKEZNVSA-N 362.470 1.879 0 50 FDAA biogenic O=C(O)CC[C@]1(CCC(=O)NCc2ccc3c(c2)OCO3)CCC(=O)N1 218214358 BOVBRWOXXBGYNV-SFHVURJKSA-N 362.382 1.325 0 50 FDAA Cc1nnc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(CCC(C)C)C(=O)[C@H]24)O3)o1 77339091 AEVSTPHWYORREV-FJXLLPKBSA-N 374.441 1.165 0 50 FDAA Cc1cccc(=O)n1CCCNc1ncnc2c1CCN(C(=O)C1CC1)C2 71638852 NXFLMKWZINQKEK-UHFFFAOYSA-N 367.453 1.744 0 50 FDAA O=C(O)COc1ccc(S(=O)(=O)NCC2=CCCOC2)cc1Cl 287294556 SNNVSSSHUFNESO-UHFFFAOYSA-N 361.803 1.428 0 50 FDAA COCCOCC(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 72171331 RVJLZQZAAVCEDP-DFQSSKMNSA-N 360.454 1.444 0 50 FDAA CS(=O)(=O)c1ccc([C@@H](O)CN2CCc3ccccc3[C@H]2CO)cc1 246299461 BVKIZMPGPKDCQQ-MOPGFXCFSA-N 361.463 1.715 0 50 FDAA CN(CC(=O)N1CCC[C@@H](C(N)=O)C1)Cc1nc2c(s1)CCCC2 175543121 IRDFJEGVFQXEHQ-GFCCVEGCSA-N 350.488 1.178 0 50 FDAA C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CCCC2)CC1)c1ccccc1 45033883 YAURNQZWVXKUAU-OAHLLOKOSA-N 366.487 1.415 0 50 FDAA O=C(c1scc2c1OCCO2)N1CCC[C@@H](C(=O)N2CCOCC2)C1 223356970 WILBOQLBHXHGNT-GFCCVEGCSA-N 366.439 1.230 0 50 FDAA O=C(NCCc1nc(-c2cccnc2)no1)N1CCC(c2cc[nH]n2)CC1 426493141 ZHOVGRFLBZLLCZ-UHFFFAOYSA-N 367.413 1.986 0 50 FDAA CC[C@H](O)c1cc2n(n1)CCN(C(=O)Cn1cnc3ccccc3c1=O)C2 222376348 REENWLBZLJCERW-KRWDZBQOSA-N 367.409 1.079 0 50 FDAA O=C([C@@H](c1ccccc1)n1cnnn1)N1CCC(Oc2cccnc2)CC1 223257883 YOIZTAIYNSYNTI-GOSISDBHSA-N 364.409 1.728 0 50 FDAA CCc1cc(-c2ccc(C(=O)NCc3nn[nH]n3)cc2)nc(N(C)C)n1 426574729 MIYUJSBVPXYGFB-UHFFFAOYSA-N 352.402 1.215 0 50 FDAA NCCOc1ccc(Cl)cc1C(=O)NCCN1CCC[C@H](CO)C1 426651387 UFBQTGHCOAHMEC-ZDUSSCGKSA-N 355.866 1.112 0 50 FDAA O=C(O)[C@@H]1CN(C(=O)c2ccccc2-c2nc[nH]n2)C[C@H]1c1cccnc1 92099258 WKBCKXFSQCBMJC-JKSUJKDBSA-N 363.377 1.807 0 50 FDAA COCC(=O)N1C[C@H](C2CC2)[C@@H](NC(=O)c2ccc3ncsc3c2)C1 95361826 PNLQNHIVTGTUFE-HIFRSBDPSA-N 359.451 1.910 0 50 FDAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1nccc(N)n1)C2 96141956 YOZIWGRLSKCLIB-MDZRGWNJSA-N 361.490 1.403 0 50 FDAA COCCN(C)S(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCOC2)c1 95379393 VOTOOHHNZKOSHR-CQSZACIVSA-N 370.471 1.110 0 50 FDAA COc1ccc(CCN2C[C@H](C(=O)NCc3ncc[nH]3)CCC2=O)cc1 91932688 UUVKWUHBTPUQJT-OAHLLOKOSA-N 356.426 1.516 0 50 FDAA COc1cccc(N2CCN([C@@H](C(=O)O)c3ccc(CO)cc3)CC2=O)c1 95376027 RYCPYYOSKVDJHF-LJQANCHMSA-N 370.405 1.662 0 50 FDAA CC(=O)c1c(C)nn(CCc2nc(C)nn2[C@@H]2CCS(=O)(=O)C2)c1C 96135817 MZTYEBCTUWDTFE-CQSZACIVSA-N 365.459 1.205 0 50 FDAA Cc1ccc([C@H](C(=O)N2CCC3(CC2)CC(=O)NC(=O)C3)N(C)C)cc1 95360218 FRJXUPXMHLEMCJ-GOSISDBHSA-N 357.454 1.643 0 50 FDAA Cc1nn(C)cc1C(=O)N1CCC(c2nnc(Cn3ccnc3)n2C)CC1 91915068 LTDHZVNURUZRJE-UHFFFAOYSA-N 368.445 1.122 0 50 FDAA COC(=O)c1cc(NC(=O)N[C@H]2CCC(=O)N(C)C2)cc(C(=O)OC)c1 96162135 PMIRHVCIQAGNKU-LBPRGKRZSA-N 363.370 1.002 0 50 FDAA CNC(=O)CCc1ccccc1NC(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 97088149 DFGBZSDTTZOPAH-ZDUSSCGKSA-N 358.442 1.498 0 50 FDAA Cc1nc2cc(C(=O)N3CCC[C@@H](c4nccn4CC(N)=O)C3)ccc2[nH]1 95501424 FSFZNQPBLBYHSR-CQSZACIVSA-N 366.425 1.573 0 50 FDAA O=C(c1c[nH]c(=O)cn1)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 91469059 PPPOFXRDJBUKGO-OAHLLOKOSA-N 364.409 1.430 0 50 FDAA CC(=O)c1ccccc1C(=O)N1C[C@H](CO)[C@H](CN2CCC(CO)CC2)C1 95355508 UBPGZSAWSXICGJ-QZTJIDSGSA-N 374.481 1.274 0 50 FDAA Cc1ccn(CC(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)n1 95363759 DBCNVLZOYCJJOJ-QGZVFWFLSA-N 352.438 1.856 0 50 FDAA CNC(=O)C1CN(C(=O)c2csc(Nc3cc(F)cc(F)c3)n2)C1 296407566 WHCHXBKZQQKQIP-UHFFFAOYSA-N 352.366 1.983 0 50 FDAA C[C@H]1CN(C[C@@H]2CN(C(=O)Cc3cccc(F)c3)C[C@@H]2CO)C[C@@H](C)O1 91746910 CIKAVRADKLXRFX-CYGHRXIMSA-N 364.461 1.544 0 50 FDAA O=C1CC2(CCN(C(=O)c3ncn[nH]3)CC2)CN1CCCc1ccccc1 95352495 YTPYFUHMLVDZMS-UHFFFAOYSA-N 367.453 1.892 0 50 FDAA 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Cc1ccc(C(=O)N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)c(=O)n1C 91586264 GGDZXZKNFFVYPW-UHFFFAOYSA-N 371.481 1.949 0 50 FDAA O=C(NC[C@@H]1CCCN(c2ncccn2)C1)Nc1ccc2nn[nH]c2c1 92929215 LHIHWHOBMDXCGP-LBPRGKRZSA-N 352.402 1.786 0 50 FDAA Cc1ncc(CC(=O)N2CCC3(CC2)CC(=O)N(CC(C)C)C3)c(=O)[nH]1 91847082 CCXAOQVPYCICIF-UHFFFAOYSA-N 360.458 1.118 0 50 FDAA COCCn1ccnc1C1CCN(C(=O)c2nn(C)cc2Cl)CC1 91847284 UIZKCACVDNOWQA-UHFFFAOYSA-N 351.838 1.936 0 50 FDAA COCCc1nc(CSc2ccncc2)n([C@@H]2CCS(=O)(=O)C2)n1 95505978 LLMKSUZDDCHHMN-GFCCVEGCSA-N 368.484 1.514 0 50 FDAA Cc1cc(=O)c2ccccc2n1CC(=O)N1CCC[C@]2(CN(C)C(=O)O2)C1 95520914 SZJXCXGTMVDLQJ-FQEVSTJZSA-N 369.421 1.753 0 50 FDAA CCN1CC[C@H](CN(C)S(=O)(=O)c2ccc(C(=O)NC3CC3)cc2)C1 92081468 XAHPYYLEGKBQSP-CQSZACIVSA-N 365.499 1.541 0 50 FDAA CNc1cc([C@H]2C[C@@H](NC(=O)c3cc(C(F)(F)F)n(C)n3)C2)nc(N)n1 244899801 ZQIUEIPARAMIBG-OCAPTIKFSA-N 369.351 1.529 0 50 FDAA O=C1CCCN1C[C@H](O)CN1CCC(n2ccc(C(F)(F)F)n2)CC1 183187122 OHWKTAYSWFDCMC-CYBMUJFWSA-N 360.380 1.522 0 50 FDAA COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCCn1cccn1)C=C2 253397426 BKUUBDKNUKXAAI-UHFFFAOYSA-N 370.409 1.072 0 50 FDAA biogenic COCCN1C(=O)N[C@@H]2CN(C(=O)c3cccc4oc(C)nc34)CC[C@@H]21 299745007 QQSXTVPORHPYEQ-KGLIPLIRSA-N 358.398 1.391 0 50 FDAA Cc1nn(CC(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)c(=O)c2ccccc12 299751724 RKFGFEDNSYVKSZ-XYPHTWIQSA-N 369.421 1.949 0 50 FDAA CN1CCCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 277367001 BNBQYEODUOCCET-LJQANCHMSA-N 360.502 1.625 0 50 FDAA Cc1cccc(N2C[C@H](NC(=O)c3cnc(C4CC4)[nH]c3=O)CC2=O)c1 71771731 GZIFTIUXUMZCDD-CYBMUJFWSA-N 352.394 1.491 0 50 FDAA CN(C)Cc1ccc(-c2cccc(C(=O)N[C@H]3C=CS(=O)(=O)C3)c2)nc1 299762463 XDQSOUKGMIHSPM-KRWDZBQOSA-N 371.462 1.851 0 50 FDAA Cc1sc2nc(CCNC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3N)nc(O)c2c1C 299757978 JEOCNRVIRXAACR-BVIHXZOGSA-N 358.467 1.822 0 50 FDAA Cc1cccc(N2CCC(NC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 828015078 OMBVMFHXVVEDPW-OAHLLOKOSA-N 351.472 1.450 0 50 FDAA NC(=O)CCN(Cc1ccccc1)C(=O)COC(=O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 869660357 BQNXYYQHZURPMD-DISONHOPSA-N 370.449 1.726 0 50 FDAA COC(=O)/C=C/CCNC(=O)c1nn(-c2ccc(C)cc2)cc1CCO 1875311599 GMJLILAPUXJRHJ-HWKANZROSA-N 357.410 1.565 0 50 FDAA Cc1ccc(CNC(=O)CCS(=O)(=O)NC(=O)CCC(C)C)cc1 1875327108 REFPYOJKGXHIOA-UHFFFAOYSA-N 354.472 1.884 0 50 FDAA COc1ccc(-c2ccccc2C)c(C(=O)N2C[C@@H](O)[C@H](CC(N)=O)C2)c1 1875402198 BNHVWEVWGVVLKQ-AUUYWEPGSA-N 368.433 1.979 0 50 FDAA C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccn(Cc3ccccc3)c2)N1C 1875402209 BYXQLSKLZQJBTR-UZLBHIALSA-N 357.454 1.348 0 50 FDAA Cn1c(O)nnc1[C@H]1[C@@H](C2CC2)CCN1C(=O)c1cc[nH]c2nccc1-2 1875401541 KZJSOGJIJWQQNY-BXUZGUMPSA-N 352.398 1.962 0 50 FDAA NC(=O)CN1CCC[C@@H](C(=O)NCc2cc(-c3cccc(F)c3)no2)C1 952980132 XZTJHFGKVGRBTE-CYBMUJFWSA-N 360.389 1.294 0 50 FDAA O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cn(CCc2ccccc2)nn1 886999386 OUZBAIVXZBCSMG-IAGOWNOFSA-N 356.426 1.181 0 50 FDAA CC(=O)NCc1cc(O[C@H]2CCN(C(=O)c3ccncc3F)C2)ccn1 886094919 HORRFZWYWLHAOV-HNNXBMFYSA-N 358.373 1.545 0 50 FDAA CCN(C[C@@H]1CCCO1)c1ncnc2c1ncn2C[C@@]1(O)CCO[C@@H]1C 888097756 OESCQIMJDLRILO-GLJUWKHASA-N 361.446 1.372 0 50 FDAA O=C1NCC[C@H]1N1CCC(c2ncc(C(=O)N3CCC=C(F)C3)o2)CC1 888103113 HKJPIXFBKVFMNE-CQSZACIVSA-N 362.405 1.442 0 50 FDAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2nnnn2-c2ccccc2)C1 888102981 XYEOPOMTTOHUPS-CVEARBPZSA-N 353.430 1.964 0 50 FDAA CO[C@H]1CS(=O)(=O)C[C@@H]1n1cnc2sc3c(c2c1=O)CCCCC3 1565511915 RWUFOILBGOUIOS-RYUDHWBXSA-N 368.480 1.711 0 50 FDAA Cc1cc(C)n(-c2ccc(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4[C@H]3N(C)C)cc2)n1 1565512799 YJSDKYDCKZHIBF-RDGPPVDQSA-N 354.454 1.936 0 50 FDAA O=C(N[C@H]1CCN(CCCOCc2ccccc2)C[C@@H]1O)c1ccccn1 1565530507 NIKIIEUYTDODBT-ICSRJNTNSA-N 369.465 1.854 0 50 FDAA CNc1cc(C)nc(N2C[C@H](c3ccc(OC)cc3)[C@@H](NC(C)=O)C2)n1 1565510216 HVEDCSIYKCTOFT-SJORKVTESA-N 355.442 1.944 0 50 FDAA Cc1ncc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccc2)C3)c(O)n1 1565509037 QLCSQGUDAONAGR-ZBFHGGJFSA-N 366.421 1.867 0 50 FDAA Cn1cc(Br)cc1C(=O)NS(=O)(=O)[C@H]1CCCOC1 408489146 QCVOWAQZYLYKJO-VIFPVBQESA-N 351.222 1.026 0 50 FDAA C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Nc1cccc(-n2ccnn2)c1 278930955 WFXNVCMGKCYTQT-OAHLLOKOSA-N 370.457 1.984 0 50 FDAA CS(=O)(=O)c1ccc(CNC(=O)N2CC(=O)N(C3CC3)C2)cc1Cl 279476092 GOOQVEXPINEDQA-UHFFFAOYSA-N 371.846 1.217 0 50 FDAA O=C(NCCn1c(=O)[nH]c2ccccc21)N1CCC([C@@H]2CCCO2)CC1 190891150 NANAOCFYAUCTRU-KRWDZBQOSA-N 358.442 1.930 0 50 FDAA Cc1cnn(C2CCCC2)c1NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 1529142876 USBCVIUKKYGYBN-AWEZNQCLSA-N 354.476 1.364 0 50 FDAA CCC[C@H]1CN(Cc2nnc(-c3ccco3)o2)C[C@@H]1NS(C)(=O)=O 213398082 AJBVFRPLAOKQMI-RYUDHWBXSA-N 354.432 1.479 0 50 FDAA CCCCc1ccc(C(=O)N2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)cc1 1615739141 FXLNKJSKSZYDNA-SJORKVTESA-N 368.499 1.354 0 50 FDAA COc1nc2ccccc2nc1CCC(=O)N1CCC([C@@H](O)CO)CC1 1772708521 DOULDUUBRXETPN-KRWDZBQOSA-N 359.426 1.163 0 50 FDAA CN(CC1CCOCC1)C(=O)C[C@H]1C(=O)NCCN1CCc1ccccc1 12053556 ZGPWCAPWLAPZJE-IBGZPJMESA-N 373.497 1.305 0 50 FDAA Cc1cccnc1C(=O)N1CCC[C@]2(C1)CN(C1CCOCC1)CC[C@H]2O 1857704967 MQEIQRZTGMEFLF-WIYYLYMNSA-N 373.497 1.858 0 50 FDAA O=C(CCc1cnccn1)N1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857715765 HCMUAADWLAQCMV-HNBVOPMISA-N 353.422 1.005 0 50 FDAA CCC[C@@]1(CO)CN(C(=O)c2cc3ccccc3n(C)c2=O)CC[C@@H]1O 1857719986 YPSHJZFJEWHAMI-PXNSSMCTSA-N 358.438 1.524 0 50 FDAA NC(=O)CCn1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)n1 117832408 DYLMDDXYEOXMAT-OAHLLOKOSA-N 373.432 1.748 0 50 FDAA CC(C)NC(=O)c1cnn2c1C[C@@H](CN=c1nc(C3CC3)[nH]s1)CC2 333329969 MQDDQHLZUZJXBO-NSHDSACASA-N 360.487 1.847 0 50 FDAA CNS(=O)(=O)c1ccc(N2C[C@@H](C)OC3(CCOCC3)C2)c(F)c1 372954337 LWHWYIIARGLXGH-GFCCVEGCSA-N 358.435 1.508 0 50 FDAA COc1ccccc1N1CCC(NC(=O)N[C@H](C)Cn2cncn2)CC1 263664030 ATQACHWWKSDTNF-CQSZACIVSA-N 358.446 1.643 0 50 FDAA O=C(O)[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@H]1O 1704314868 WQSJAKJFWJAZMG-WCBMZHEXSA-N 354.211 1.450 0 50 FDAA O=C(CNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21)Nc1ccc(Br)cc1 906325191 KRFOPMYGBGRSRP-LEWSCRJBSA-N 351.200 1.729 0 50 FDAA CC(C)(CNC(=O)c1ccc2c(c1)CCC(=O)N2)[C@H]1COCC12OCCO2 837997343 JIQLYGWUKZWZKF-MRXNPFEDSA-N 374.437 1.717 0 50 FDAA CN1CCc2ccc(C(=O)NCCc3csc(-c4ncccn4)n3)nc21 2100480946 WQUFDRMJUQOLSD-UHFFFAOYSA-N 366.450 1.960 0 50 FDAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CC(=O)N(C4CNC4)C3)cc2)c1C 2325795670 SLWGHHPYJGHDMD-CQSZACIVSA-N 353.426 1.248 0 50 FDAA C=CC(=O)N(C)CC(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 860575225 KRZIVYPQPPZFJM-GFCCVEGCSA-N 357.332 1.725 0 50 FDAA O=C(O)[C@H]1CCN(Cc2cn(-c3ccccc3Br)nn2)C1 901490103 MDJAPJIQAILTQW-JTQLQIEISA-N 351.204 1.936 0 50 FDAA COc1ccccc1CCNC(=S)Nc1ccc(S(N)(=O)=O)cc1 2856153 CTCCTMRVEPUKGY-UHFFFAOYSA-N 365.480 1.872 0 50 FDAA COc1cccc2c1C1(CCN(C(=O)[C@H]3CNCCOC3)CC1)OCC2 2356159592 INIIFNGRPDHNAF-INIZCTEOSA-N 360.454 1.322 0 50 FDAA O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(-c2ncon2)cc1 112032008 VIUGJDLBTKJGTR-NSHDSACASA-N 354.288 1.630 0 50 FDAA COc1ccc(CN2CCN(C(C)C)[C@H](CCO)C2)cc1Cn1cncn1 104531737 ZYCOKAJVKSQLGB-LJQANCHMSA-N 373.501 1.612 0 50 FDAA Cc1cccc(OCC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c1C 52988632 INWNKVMPEFOCJU-UHFFFAOYSA-N 373.497 1.839 0 50 FDAA CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cc(C)cn3ccnc23)cn1 862053487 ULONCEFTNDAQAI-JKSUJKDBSA-N 355.398 1.435 0 50 FDAA CCc1ccc(N([C@@H](C)C(=O)NC2CCN(C)CC2)S(C)(=O)=O)cc1 67338698 PJRAPTCKVRKDST-AWEZNQCLSA-N 367.515 1.614 0 50 FDAA CN1[C@@H](c2ccccc2)[C@@H](C(=O)N2CC(n3cccn3)C2)C[C@@]1(C)C(=O)O 67724304 JZRSJUPXDKBVEG-ZWOKBUDYSA-N 368.437 1.803 0 50 FDAA CNC(=O)[C@H]1CCN(C(=O)C2(Oc3ccc(Cl)cc3)CCNCC2)C1 65508963 MVPHNPNEYTVPBM-ZDUSSCGKSA-N 365.861 1.436 0 50 FDAA NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)N(CC(=O)NCc2ccc(F)cc2)C1 229872832 UNLBJCASCGIPDR-YPMHNXCESA-N 361.339 1.570 0 50 FDAA COC(=O)[C@]1(C(C)C)N[C@H](c2ccnc(C(C)C)n2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 65387886 XFNLQWNLRFKSHN-QGDIXAPHSA-N 374.441 1.043 0 50 FDAA CN1C[C@@H](Nc2nc(-c3cccnc3)nc3c2CCNCC3)CCC1=O 65394748 JVOGUWCQDNFOHC-AWEZNQCLSA-N 352.442 1.260 0 50 FDAA CC(C)c1nc(CNC(=O)c2ccc(N3CCC[C@H](CO)C3)nc2)no1 67869277 CBMGGLUJVJEDHT-ZDUSSCGKSA-N 359.430 1.727 0 50 FDAA COC(=O)[C@@H]1Cc2[nH]cnc2CN1C(=O)c1cn[nH]c1C1CCCCC1 67774171 LVEDJMBLRLLPFE-HNNXBMFYSA-N 357.414 1.921 0 50 FDAA Cc1ccsc1[C@@H]1CCN(C(=O)c2ccc3c(c2)no[n+]3[O-])C[C@H]1O 65435134 ZUQPTVVNOIKGBN-IUODEOHRSA-N 359.407 1.822 0 50 FDAA CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)CSc1n[nH]c(N)n1 67642123 OSLQXPFMSFNCDV-UHFFFAOYSA-N 359.459 1.755 0 50 FDAA O=C1c2cccnc2CN1C1CCN(S(=O)(=O)c2ccccc2)CC1 65381316 ZDEJHMZWOGIQIV-UHFFFAOYSA-N 357.435 1.891 0 50 FDAA CC(C)N1CCNC(=O)[C@@H]1CC(=O)NCC1(c2ccccc2)CCOCC1 11843095 DZWCURQWEDJGKJ-SFHVURJKSA-N 373.497 1.450 0 50 FDAA Cc1nc(CN(C)[C@H]2CCCN(Cc3cnc4cnccn34)CC2)no1 328641174 QKMXEUHGJJRGJP-HNNXBMFYSA-N 355.446 1.907 0 50 FDAA CCn1nccc1[C@@H]1OCC[C@H]1CN[C@H](C)CC(=O)N1CCOCC1 328623617 BZALDQCTNXDXNE-RVKKMQEKSA-N 350.463 1.208 0 50 FDAA O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 120642643 WSRXRAKCIZCEMK-UXHICEINSA-N 366.461 1.797 0 50 FDAA CN1C(=O)CO[C@H](C(=O)N2C[C@H](CO)c3ccccc32)[C@H]1c1ccccc1 329291795 QXQCBHNGKBGLLB-YSGRDPCXSA-N 366.417 1.708 0 50 FDAA CN(C)c1ccccc1C(=O)N1CCC[C@]2(CCC(=O)N(CCO)C2)C1 77537705 WTWBAJNSFOVRIB-HXUWFJFHSA-N 359.470 1.590 0 50 FDAA Cn1c(=O)[nH]cc(CC(=O)NCCc2nc(-c3ccccc3)cs2)c1=O 215745638 JFKIRFMLERDZSQ-UHFFFAOYSA-N 370.434 1.099 0 50 FDAA O=C(NC[C@@H]1CCC[C@@]12N=C(O)N=C2O)c1ccncc1Br 330059947 LUZSXHLFGQMSJM-RMLUDKJBSA-N 367.203 1.997 0 50 FDAA O=C(Cn1ncnn1)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 71751669 QXZRIPPYBDRFKT-MORSLUCNSA-N 374.395 1.040 0 50 FDAA CCNC(=O)c1cc(NC(=O)c2ccc(=O)n(C)n2)nc2ccccc12 152549374 SMISEAVVNRHJJD-UHFFFAOYSA-N 351.366 1.331 0 50 FDAA CCn1nccc1S(=O)(=O)N[C@@H](c1nccn1C)C1CCOCC1 284853205 DTWYACDKVSCWHQ-CQSZACIVSA-N 353.448 1.083 0 50 FDAA CCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)NCCc1nc(C)cc(C)n1 72440749 RBPSNJXWFRAHNE-GOSISDBHSA-N 373.545 1.948 0 50 FDAA CCOCCOCC(=O)N(Cc1nccn1CC)[C@H]1CC12CCNCC2 370161199 KMFLPSDFXOMFQS-INIZCTEOSA-N 364.490 1.427 0 50 FDAA NC(=O)CC[C@H]1CCCN(c2ccc(S(=O)(=O)NCC3CC3)cn2)C1 174723162 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360.458 1.371 0 50 FDAA Cc1cc(C)n2nc(CC(=O)N3CCCC[C@H]3CCn3ccnc3)nc2n1 219543891 QCZQMTOOBGDVOE-INIZCTEOSA-N 367.457 1.952 0 50 FDAA Cc1n[nH]c2ncc(NC(=O)c3ccc(C[C@@H]4CC(=O)NC4=O)cc3)cc12 175431459 UYJYDWGJVMFPHR-CYBMUJFWSA-N 363.377 1.724 0 50 FDAA COc1cc(C)ccc1S(=O)(=O)N[C@@H](c1cnn(C)c1)C1CC(O)C1 220437464 IWLWEFFBIRSPNB-MKTAYPAQSA-N 365.455 1.528 0 50 FDAA C[C@@H]1CN(C(=O)c2ccc(N3CCOCC3)c(F)c2)CC[S@@](=O)C1 241171026 KDRDLUJWRUZRTQ-YEBMWUKDSA-N 354.447 1.503 0 50 FDAA COc1ccc(S(=O)(=O)N[C@@H](c2cnn(C)c2)C2CC(O)C2)cc1 223056695 OTUOWXFIQIIOHG-IJGSQOGDSA-N 351.428 1.219 0 50 FDAA CN(CCCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 44376688 QXMPYKYSLIOZEH-HNNXBMFYSA-N 353.488 1.301 0 50 FDAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)CCn1c(=O)oc3ccc(C)cc31)CC2 426509316 GPDQNSLCKNGVTP-GZRFBZBPSA-N 374.437 1.824 0 50 FDAA COc1ccc(NC(=O)NCCC(=O)NC2CCCCC2)cc1C(N)=O 426632810 AHXSLPPOWWJORT-UHFFFAOYSA-N 362.430 1.755 0 50 FDAA Nc1nc([C@@H]2CCOC2)cc(N2CCN(CCc3ccccc3)CC2)n1 426530797 KCAGUNRKOWMRCJ-QGZVFWFLSA-N 353.470 1.927 0 50 FDAA CN(Cc1nccn1CC(F)(F)F)c1cc(N2CCC[C@H]2CO)ncn1 292553649 RSNQLARYXGHJOS-LBPRGKRZSA-N 370.379 1.833 0 50 FDAA Cc1nc(CN2CCN(C(=O)c3ccc([C@H]4CCCNC4)cc3)CC2)no1 95385014 SJTJMFQNNSYCEC-SFHVURJKSA-N 369.469 1.803 0 50 FDAA NS(=O)(=O)c1cccc2c(C(=O)NC[C@@H]3CCN(C4CC4)C3)nccc12 179444303 MZDMQUQMIUKVDG-LBPRGKRZSA-N 374.466 1.096 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](NC(C)=O)CN1Cc1cn(C)nc1-c1ccccc1 96137483 IMHAEUQIPQYDFM-ROUUACIJSA-N 369.469 1.302 0 50 FDAA CSCC(=O)N1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 91616935 NUDYQKGCOIWHMP-UHFFFAOYSA-N 360.487 1.927 0 50 FDAA CN1CC[C@H](N(C)S(=O)(=O)c2cccc(C(=O)NC3CCCC3)c2)C1 95365961 HYOACISGOJRBJR-INIZCTEOSA-N 365.499 1.684 0 50 FDAA CN[C@@H](C)C(=O)N1CCC2(CCC(=O)N(CCc3ccncc3)C2)CC1 91526804 UAOUGOLWOXCZPR-INIZCTEOSA-N 358.486 1.463 0 50 FDAA Cc1cnc(C)c(N2CCC(c3nnc(Cn4cccn4)n3C)CC2)n1 91768977 LBCOZALLNRRYTR-UHFFFAOYSA-N 352.446 1.851 0 50 FDAA CN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)CCn1cncn1)CC2 95390758 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299799041 UIHNMXYPCIYRMG-UHFFFAOYSA-N 368.393 1.691 0 50 FDAA NC(=O)C1(NC(=O)N[C@@H](c2ccccc2)c2nnc(N)s2)CCCCC1 584886392 RNYUSLNVKUNULT-LBPRGKRZSA-N 374.470 1.697 0 50 FDAA CC(=O)Nc1ccc(C(=O)N[C@H]2CCCN(C(=O)c3ccco3)C2)c(O)c1 670461967 HSYZBUAMACZGGW-AWEZNQCLSA-N 371.393 1.978 0 50 FDAA CCNC(=O)c1cc(NC(=O)CCn2c(=O)n(C)c3ccccc32)ccn1 1875313734 SBMHXSFGHODFBR-UHFFFAOYSA-N 367.409 1.514 0 50 FDAA O=C1CCC[C@H](C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2)N1 1875327407 VBZUWDTYYWTNGG-GDBMZVCRSA-N 351.397 1.714 0 50 FDAA CN=[S@]1(=O)CCC[C@@]2(CCCN2C(=O)Cn2c(C)cc(C)nc2=O)C1 1875395884 OOTLXZGYCRUNKL-GKVSMKOHSA-N 366.487 1.113 0 50 FDAA CC(=O)N1CC2(C1)[C@H](C(=O)N(C)Cc1ccc(C)s1)CCS2(=O)=O 1875393069 FKKUEQQUPWASHN-AWEZNQCLSA-N 370.496 1.051 0 50 FDAA CC1(CC(=O)N2CC[C@@H]([C@H]3CCCN(C(=O)Cn4cncn4)C3)C2)CC1 1875322065 HLGYCJUTNQCNBH-JKSUJKDBSA-N 359.474 1.555 0 50 FDAA CN=[S@]1(=O)CCC[C@]2(CCCN2C(=O)Cn2c(C)cc(C)nc2=O)C1 1875395885 OOTLXZGYCRUNKL-NSYGIPOTSA-N 366.487 1.113 0 50 FDAA C[C@H]1CN(C(=O)C(=O)N[C@@H](Cc2ncc[nH]2)c2ccccc2)C[C@@H](C)N1 1875266188 USTRBRDIHUDMCD-LZWOXQAQSA-N 355.442 1.019 0 50 FDAA CN1CCO[C@@H](CNCc2ccnn2C2CCCC2)[C@@H]1c1ccnn1C 886074754 UHYYCQUVNVDCPD-OALUTQOASA-N 358.490 1.893 0 50 FDAA CCO[C@@H]1COC[C@H]1n1cc(C(=O)N2CC(Oc3ccccc3)C2)nn1 888093602 JPOKXUOHMDIBMW-IAGOWNOFSA-N 358.398 1.158 0 50 FDAA Cc1cnn(C)c1C(=O)N1CC[C@H](c2cc(O)nc(N3CCCC3)n2)C1 888094660 AFZFCXMBLDUFTJ-ZDUSSCGKSA-N 356.430 1.454 0 50 FDAA Cc1ccc(N2CCN(c3nnnn3Cc3cc(C)on3)CC2=O)cc1 1352167253 JKROFSSMGAUYBR-UHFFFAOYSA-N 353.386 1.179 0 50 FDAA Cc1ccc(NC(=O)[C@H]2CNC[C@@H](C(=O)N(C)Cc3nccs3)C2)cn1 1565530598 DPUBDUPVESOYQH-KGLIPLIRSA-N 373.482 1.669 0 50 FDAA Cc1ccccc1OCC(=O)N1C[C@@H](CC(=O)O)[C@@H](c2cn(C)nn2)C1 1565508984 FVEJSDNWHXMLTD-KGLIPLIRSA-N 358.398 1.219 0 50 FDAA C[C@@H](C(=O)N1CCC[C@@H](N(C)CC(=O)O)CC1)N1CCc2ccccc2C1 186652062 GOKTZQAAXMSDBR-QFBILLFUSA-N 373.497 1.831 0 50 FDAA Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCO[C@H](c2cccs2)C1 280167155 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362.437 1.842 0 50 FDAA COc1cc(-c2nc(CNC(=O)CCn3cnnn3)c(C)o2)ccc1O 1857711000 GIZAMILJSZGAPJ-UHFFFAOYSA-N 358.358 1.057 0 50 FDAA Cn1cc(Cl)cc1C(=O)N1CCC2(CCc3c(O)nc(=N)[nH]c32)CC1 1857737731 ADUUVWDXIVKEPI-UHFFFAOYSA-N 361.833 1.707 0 50 FDAA O=C(C[C@@H]1CCCN(c2nc3ncccc3o2)C1)NCCc1cnn[nH]1 1875251466 MPRMJQSZKMRERN-LBPRGKRZSA-N 355.402 1.306 0 50 FDAA C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)CNC(=N)O)CC1 330670279 BTDMNLFLOCMZJU-LLVKDONJSA-N 369.263 1.737 0 50 FDAA CC(C)c1nnc(CNc2ncnc3ccc(S(C)(=O)=O)cc23)n1C 252490963 LGPMFOXBAAXBHK-UHFFFAOYSA-N 360.443 1.897 0 50 FDAA CN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)C1CCN(CCn2cccn2)CC1 367259072 GJOBBWQYYNKDLN-ZWKOTPCHSA-N 356.474 1.343 0 50 FDAA COc1cccc([C@@H](O)C(=O)N2CCN(C[C@@H]3CCCCN3C)CC2)c1 163782470 OYLWWJPMNYWTIU-PKOBYXMFSA-N 361.486 1.357 0 50 FDAA C[C@H]1[C@@H](C)N(C(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)CC[S@]1=O 927047050 DMZNYBROAMAVCI-CCMITRKESA-N 359.492 1.547 0 50 FDAA CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC1 1425926 LLKBUJXZJMZFOK-UHFFFAOYSA-N 352.456 1.580 0 50 FDAA CCc1nc(N)cc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1 2325741925 WSLXTHXFGPKNLZ-UHFFFAOYSA-N 354.502 1.875 0 50 FDAA Cc1cc(-n2cncn2)ccc1C(=O)N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O 2325785679 INSQKLZYNDKOBT-ZTFGCOKTSA-N 366.425 1.342 0 50 FDAA Cc1cc(C(=O)NCC(=O)Nc2ccc(-n3cnc(C)c3C)cc2)n(C)n1 2325792806 NQHCVGLFRWVSPB-UHFFFAOYSA-N 366.425 1.900 0 50 FDAA N[C@@H]1CCc2nc(C(=O)NCc3ccn(-c4ccccc4Cl)n3)cn2C1 2325797616 IMAFPNRIABEHQS-GFCCVEGCSA-N 370.844 1.926 0 50 FDAA Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1S(=O)(=O)NCCO 2374662 FRYHCTPNLONYMV-UHFFFAOYSA-N 373.434 1.180 0 50 FDAA CC(=O)NC(C)(C)C(=O)N1CCC[C@@]2(CCc3cnc(N(C)C)nc32)C1 2356145865 LJAAPYXKWOHYCZ-LJQANCHMSA-N 359.474 1.264 0 50 FDAA COc1ccc2c(c1)CCOC21CCN(CC(=O)NC[C@H]2CCCO2)CC1 2356153782 UYAUGBGYMIJPBC-GOSISDBHSA-N 374.481 1.854 0 50 FDAA CC(=O)OCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O 4031754 QOPWQTCUSBLYIT-UHFFFAOYSA-N 368.389 1.836 0 50 FDAA CCOCCn1c(=O)c2c(nc3n(Cc4ccco4)c(C)cn23)n(C)c1=O 4250723 JILGKMUJRRLISP-UHFFFAOYSA-N 371.397 1.136 0 50 FDAA O=C(NCCCNC(=O)c1ccc(Br)o1)c1ccccn1 4857860 IRXLKSYAJCKKLV-UHFFFAOYSA-N 352.188 1.987 0 50 FDAA O=C(CN1C(=O)CCc2ccccc21)NS(=O)(=O)C1CCCCC1 111949050 AMQZURPZTDIRPV-UHFFFAOYSA-N 350.440 1.745 0 50 FDAA COCCSc1nnc(NC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)s1 59745400 SDBOGVABHINEHN-JTQLQIEISA-N 373.504 1.609 0 50 FDAA CCn1nc(C)c(NC(=O)CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1C 65399030 ZFOLDGZZIIJLNA-CVEARBPZSA-N 369.469 1.739 0 50 FDAA O=C(C[C@@H]1SC(=O)N(CN2CCOCC2)C1=O)Nc1cccc(O)c1 20170826 LATDBRVMFFDHSC-ZDUSSCGKSA-N 365.411 1.075 0 50 FDAA CC[C@H](C(=O)N1CCN(C)CC1)N(c1cccc(OC)c1)S(C)(=O)=O 65362455 LXQJEAQAHNMZCH-MRXNPFEDSA-N 369.487 1.014 0 50 FDAA COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)CN)CC1 67674616 YPNHKAGPWNGLIP-UHFFFAOYSA-N 372.429 1.658 0 50 FDAA O=C(c1ccc2c(=O)[nH]c(S)nc2c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 151006186 BEJOINRWTFACAT-XIKOKIGWSA-N 359.451 1.979 0 50 FDAA CC[C@H](Nc1cccc(OC)c1)C(=O)N1CCC2(CC1)C(=O)NCCN2C 67871918 LIYOSWUOTDYLLF-KRWDZBQOSA-N 374.485 1.309 0 50 FDAA Cc1noc(-c2ccc(S(=O)(=O)N3CCN4C(=O)OC[C@@H]4C3)o2)c1C 1506400852 GOWAKFGLBOHNHC-NSHDSACASA-N 367.383 1.377 0 50 FDAA COc1cccc2c1OCC(CN1CCC(NS(C)(=O)=O)CC1)=C2 65398298 IDHXJKKVHYRNJP-UHFFFAOYSA-N 352.456 1.485 0 50 FDAA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@H]([C@H](C)O)C1 129563378 NYIRZWSFMSZZBQ-ZBQZNYHESA-N 357.454 1.835 0 50 FDAA Cc1ccc(NC(=O)CC(=O)N2C[C@@H](N)C[C@H]2C(=O)NC(C)C)c(C)c1 67433515 BOFJKGRESYTYBD-HOCLYGCPSA-N 360.458 1.085 0 50 FDAA Cc1cnc(C)c(-c2cc(O)c3c(c2)CN(CCOCCO)CCO3)n1 67774210 NYTHEFJJXWIFSS-UHFFFAOYSA-N 359.426 1.669 0 50 FDAA CCOC(=O)c1cc(C(=O)OCC)c(=O)n(NC(=O)c2ccccc2)c1N 1385840 VGWYGRHIWJZOJI-UHFFFAOYSA-N 373.365 1.168 0 50 FDAA COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(Br)s1 4842139 WJLWCAPISCYPDZ-SECBINFHSA-N 356.205 1.959 0 50 FDAA CCn1c(N)nc2cc(C(=O)NCCn3nc(C)c(Cl)c3C)cnc21 77459763 UXMGTRSRSIBFIF-UHFFFAOYSA-N 361.837 1.930 0 50 FDAA Cc1ccccc1Cc1nnn(CC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)n1 153280032 WWOPMGKOHSLNBP-GDBMZVCRSA-N 370.457 1.977 0 50 FDAA CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CSCN1 154793164 PKLCVIMBWBKMOI-WCQYABFASA-N 364.389 1.566 0 50 FDAA COCCNS(=O)(=O)c1cc(C(=O)O)cc(-c2cccc(OC)c2)c1 71715331 XKCYNXXDIJNVQV-UHFFFAOYSA-N 365.407 1.985 0 50 FDAA O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2CC1)N1CCc2sccc2C1 333618910 ZDLXLDBCMWWGBI-SYWGBEHUSA-N 356.447 1.830 0 50 FDAA C[C@@H](CC(=O)NCC(=O)N1CCN(c2ccccc2)CC1)[C@H]1CCCNC1 237403477 MDNJERWNQKPASX-ROUUACIJSA-N 372.513 1.477 0 50 FDAA CC(C)n1cc([C@]2(O)CCCN(c3cc(N4CCCC4)ncn3)C2)nn1 284423217 DBURXSMQZVJSTD-SFHVURJKSA-N 357.462 1.737 0 50 FDAA Cc1c(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)O)C2)cnn1-c1ccccc1 262364887 JBXINKMNSMIUNH-IFXJQAMLSA-N 355.394 1.744 0 50 FDAA CN(Cc1cccnc1)Cc1c(C(=O)N2CCOCC2)nc2ccccn12 71721708 KYOXFIHEJCRMKO-UHFFFAOYSA-N 365.437 1.834 0 50 FDAA O=C1OC2(CCN(C[C@@H]3COCCO3)CC2)CN1CCc1ccccc1 77392601 BZQLNSZAWQODIO-GOSISDBHSA-N 360.454 1.931 0 50 FDAA CC(=O)NCCN(CC(=O)N1c2ccccc2CC[C@H]1C)[C@@H](C)C(=O)O 263344502 OGIWRQNJRMYPSM-KGLIPLIRSA-N 361.442 1.266 0 50 FDAA CNC(=O)CCc1nc2cc(S(=O)(=O)NC(C)C)ccc2n1C(C)C 77469746 LGXRSDXBMZDXRY-UHFFFAOYSA-N 366.487 1.983 0 50 FDAA Cc1nc(O)cc([C@@H]2CCCN(C(=O)c3nc4ccccc4c(=O)[nH]3)C2)n1 219978536 JNCMUMFRVFMKPZ-GFCCVEGCSA-N 365.393 1.747 0 50 FDAA O=C(Cn1ccc2ccccc21)NCc1cc(N2CCOCC2)ncn1 72421401 PMJZHRLKDXAUQN-UHFFFAOYSA-N 351.410 1.584 0 50 FDAA O=C(N[C@@H]1CC[C@H](C(=O)NCC(F)(F)F)C1)c1cc2c([nH]c1=O)CCC2 72432507 CJKYCNRQIFTIAN-WDEREUQCSA-N 371.359 1.441 0 50 FDAA CN1CCC[C@@]2(CCN(Cc3cnc(N4CCOCC4)s3)C2)C1=O 215588819 COKXWDUKNOYDEV-KRWDZBQOSA-N 350.488 1.424 0 50 FDAA COc1cccc2c1OC(=O)[C@@H]1[C@H](C(=O)O)Sc3[nH]c(=O)sc3[C@@H]21 226457878 DYFKIRSJFMIWQT-DKCNOQQISA-N 365.388 1.671 0 50 FDAA biogenic Cc1ccc(F)c(S(=O)(=O)N[C@@H]2COCC[C@@H]2OCCN(C)C)c1 220596956 PEWGCOJFDFXVEI-CABCVRRESA-N 360.451 1.148 0 50 FDAA CN(C[C@H]1COCCO1)C(=O)c1ccc(-c2cncc(C(N)=O)c2)cc1 426428824 FQUBPTKZSSYPNG-KRWDZBQOSA-N 355.394 1.335 0 50 FDAA CC(C)Cc1cc(C(=O)N[C@@H]2CCN(C(=O)c3ccccc3)C[C@H]2O)on1 426470858 NVJLDDFLLPEXES-IAGOWNOFSA-N 371.437 1.879 0 50 FDAA COc1ccc(N2CCN(C(=O)NCc3cc(C)on3)[C@H](C)C2=O)cc1 426541735 WXSVGRNMFVSFKX-CYBMUJFWSA-N 358.398 1.939 0 50 FDAA CCOC(=O)N1CCC(NC(=O)Cn2nccc2[C@@H]2CCCNC2)CC1 426668986 JMOIVVNRERVQED-CQSZACIVSA-N 363.462 1.087 0 50 FDAA CC(=O)c1cc(C(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)c(=O)[nH]c1C 82091817 FZVSVKGMXKABDA-UHFFFAOYSA-N 367.405 1.683 0 50 FDAA COCc1c(C(=O)N2CCCn3nc([C@H](O)C4CC4)cc3C2)noc1C 223518215 KVDSGZDAOYANFL-QGZVFWFLSA-N 360.414 1.815 0 50 FDAA CCN(CCn1cccn1)C(=O)c1cccc(-c2cc(OC)nc(N)n2)c1 426728090 ABLRVQLAPAPVQP-UHFFFAOYSA-N 366.425 2.093 0 50 FDAA CN(C)Cc1nnc(C2CCN(C(=O)c3onc4c3CCCC4)CC2)n1C 426370850 VTAYNJJEEVXBFG-UHFFFAOYSA-N 372.473 1.763 0 50 FDAA CN(C)C[C@]1(O)CCCN(C(=O)c2cccc(-c3cnc(N)cn3)c2)C1 426643063 VNCHVFQLVNTFHC-LJQANCHMSA-N 355.442 1.255 0 50 FDAA CCc1cccc(OC2CN(C(=O)[C@H]3CCCN(C(=O)COC)C3)C2)c1 91663463 BCIUZCQTJSROQG-INIZCTEOSA-N 360.454 1.724 0 50 FDAA Cc1ccc([C@H](CNC(=O)c2nn(C)cc2Cl)N2CCOCC2)o1 97295218 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C[C@H]1CCCN(Cc2c(CN3CCC[C@@H](C)C3)nnn2-c2nonc2N)C1 4786484 QFENPDYVIVLENT-KGLIPLIRSA-N 374.493 1.696 0 50 FDAA COC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@H]1c1ccc(OC)cc1 20051458 VCRMVQDTPGLOTR-KRWDZBQOSA-N 359.426 1.962 0 50 FDAA C[C@H](CC1CCNCC1)NCc1ccccc1N1CCS(=O)(=O)CC1 2325787129 DDKCMKYPRBFYTE-MRXNPFEDSA-N 365.543 1.789 0 50 FDAA O=C(N[C@@H]1CCc2nnc(O)cc2C1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 2325803447 HSBCFBLIXDRZNJ-GXTWGEPZSA-N 370.384 1.348 0 50 FDAA Cc1c(Cl)cccc1N(CC(=O)NC[C@H]1CCCO1)S(C)(=O)=O 889632 YBISMEIBHFFEGV-GFCCVEGCSA-N 360.863 1.710 0 50 FDAA O=C(NC1CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)cs1 1145136 GOHQPPSDXBSQIC-UHFFFAOYSA-N 358.485 1.832 0 50 FDAA CC(C)c1nc(O)ccc1C(=O)NCC[C@@H]1CCCCN1S(C)(=O)=O 2356142658 BKSHEVPWKLXHJG-ZDUSSCGKSA-N 369.487 1.845 0 50 FDAA CCOc1ccc(/C=C2/C(=O)N(C)C(=S)N2CC(=O)OC)cc1OC 2831012 DBDIWFHKYAQKED-WQLSENKSSA-N 364.423 1.667 0 50 FDAA COc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)(C)C)CC2)cc1 7805244 GECUKRCIPKSETA-UHFFFAOYSA-N 354.472 1.964 0 50 FDAA 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NC[C@H]1CCN(c2cnn(CCCCOC(=O)c3ccccc3)c(=O)c2)C1 82039677 DKARRFQTJNXGDJ-MRXNPFEDSA-N 370.453 1.666 0 50 FDAA Cc1cc2ccccc2n1CCNC(=O)N1CC[C@@H](CS(N)(=O)=O)C1 426506008 ZDDBHWUSSDFAPG-CQSZACIVSA-N 364.471 1.270 0 50 FDAA O=C(Nc1ccc(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)cc1)C1CC1 178085101 IPGYKMAXJUYZSZ-HNNXBMFYSA-N 357.454 1.829 0 50 FDAA Cc1ccc(SCCCNC(=O)[C@H]2CCc3nn(C)c(=O)n3C2)cc1 426555876 IOYMOZFOBLRCER-AWEZNQCLSA-N 360.483 1.751 0 50 FDAA C[C@H]1CN(C(=O)NCCc2nc3c(s2)CCCC3)C[C@@H](C)S1(=O)=O 292617551 UNLXZHRNJUJPLA-TXEJJXNPSA-N 371.528 1.781 0 50 FDAA COc1cc(OC)nc(-c2ccc(C(=O)N[C@@H]3CCCNC3=O)cc2)n1 426596491 LQTGALTXAUDDDO-CYBMUJFWSA-N 356.382 1.169 0 50 FDAA CC(C)(C)c1cn(C[C@@H]2CCCN(C(=O)c3nc4ncccn4n3)C2)nn1 48246275 WESLLCRESYHEEK-CYBMUJFWSA-N 368.445 1.566 0 50 FDAA CSCCN1CCN(C(=O)c2cc(F)ccc2OCCCN)CC1 426547658 SDSDNZWJPPIJOU-UHFFFAOYSA-N 355.479 1.674 0 50 FDAA CC(=O)N1CCN(C(=O)NCCc2ccc3ccccc3c2)C[C@H](O)C1 426716248 XILGRRAQEPUEQF-LJQANCHMSA-N 355.438 1.617 0 50 FDAA 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O=C(O)Cn1nccc1[C@@H]1CCCN(C(=O)c2cnc(C3CC3)nc2O)C1 426538712 YWEBNIQBYVYQFD-GFCCVEGCSA-N 371.397 1.361 0 50 FDAA O[C@H]1C[C@@H]([C@@H](Nc2ncc(F)c(N3CCOCC3)n2)c2ccccn2)C1 223764722 FVNCCNQVABIJLO-XJKCOSOUSA-N 359.405 1.771 0 50 FDAA COCC(=O)N1CC[C@H]2CN(Cc3nccn3-c3ccc(OC)cc3)C[C@H]21 82098231 ZITAHQOYXKICLN-MAUKXSAKSA-N 370.453 1.560 0 50 FDAA COCC(=O)N1CC[C@]2(O)CCN(C/C=C/c3ccc(OC)cc3)C[C@@H]2C1 95375300 XHHOOKVKZHOSEJ-MXHCUOCRSA-N 374.481 1.640 0 50 FDAA COc1ccc(/C=C/CN2C[C@@H](CN3CCN(C)CC3)[C@@H](CO)C2)cc1 91326843 LNHIDRJLZDWZFX-FMEUAVTJSA-N 359.514 1.496 0 50 FDAA COCC(=O)N1CCC[C@@H](C(=O)NCCOc2cccc3cccnc23)C1 95380119 JIOJXSFZOATOOT-MRXNPFEDSA-N 371.437 1.615 0 50 FDAA C[C@H](NC(=O)Nc1ccc(CC(=O)NC2CC2)cc1)c1nnc(N)s1 97528042 HMIULQIOXXTDOA-VIFPVBQESA-N 360.443 1.824 0 50 FDAA CN(CCCc1cnn(C)c1)C(=O)CN1C(=O)CSc2ccccc21 95530883 DSIFWBHRVWFSMV-UHFFFAOYSA-N 358.467 1.950 0 50 FDAA Fc1ccc(-c2nnn(CCCc3nc(-c4cccnn4)no3)n2)cc1 95506545 CXHXGOPAYHACFH-UHFFFAOYSA-N 352.333 1.952 0 50 FDAA O=C(NCCc1nc2ccccc2[nH]1)[C@H]1CC(=O)N(Cc2cccnc2)C1 95387395 UGOOVHFJLDDPMK-HNNXBMFYSA-N 363.421 1.665 0 50 FDAA Cc1nccn1CC1(CNC(=O)[C@H](c2cccnc2)N2CCOCC2)CC1 97447013 HXRLRTLCNKKGNH-SFHVURJKSA-N 369.469 1.556 0 50 FDAA Cc1cccc(N2CCC(N3C[C@H](CO)[C@H](CN(C)CCO)C3)CC2)c1 91587271 HTKIIVORYORXNK-RTBURBONSA-N 361.530 1.428 0 50 FDAA O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)Nc1cccnc1 253411520 OSQASVGSSWFVHK-INIZCTEOSA-N 350.378 1.672 0 50 FDAA biogenic CC(C)[C@@H](CO)NC(=O)CC[C@H]1N=C(O)N(CCc2ccccc2)C1=O 253535703 BABQRDVADKRNIO-HZPDHXFCSA-N 361.442 1.267 0 50 FDAA CC1(C)NC(=O)N(CCCC(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)C1=O 299741701 AFWDUOHVBVGYCZ-XQQFMLRXSA-N 365.430 1.341 0 50 FDAA CCc1cc(C(=O)N[C@H]2C[C@H](c3nnc(CO)n3C3CC3)C2)cc(O)n1 253535318 KNVGDPJRCJLVGC-MJHDQNEOSA-N 357.414 1.444 0 50 FDAA Cc1noc(C)c1-c1ccc(S(=O)(=O)N2CCO[C@@H](CN)C2)s1 534632419 OXFADQFGESNOAY-NSHDSACASA-N 357.457 1.368 0 50 FDAA Cc1ccc(C(=O)NCc2cc3n(n2)CCN(C(=O)C(C)C)C3)cc1O 299779450 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CS(=O)(=O)N1CCCC[C@@H]1CCNC(=O)CCCN1CCCCC1=O 952973966 HBGWHIDMVPIFCU-OAHLLOKOSA-N 373.519 1.100 0 50 FDAA O=C(O)c1ccc(CNC(=O)[C@H]2CC(=O)N(Cc3cccnc3)C2)cc1 952864702 LFWHOXVZNQHFJX-INIZCTEOSA-N 353.378 1.445 0 50 FDAA COc1cc(CC(=O)N2CCC[C@](O)(Cc3nc(C)no3)C2)ccc1C 886096498 KDYCETNXSCUQBP-IBGZPJMESA-N 359.426 1.834 0 50 FDAA CC(C)c1ccc(N2CC[C@@H](C(=O)N3CCO[C@@H](CC(=O)O)C3)C2=O)cc1 269061417 ZQPOEEHJBHURLT-IRXDYDNUSA-N 374.437 1.865 0 50 FDAA Cn1cccc1C(=O)C(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1ccncc1)C2 1565515800 HODUYDWRGUWVFV-ZBFHGGJFSA-N 366.421 1.366 0 50 FDAA Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC(=O)CCN1CCCCO1 1565511708 ATACXRQYIZIKSY-IRXDYDNUSA-N 367.446 1.499 0 50 FDAA Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC=C(F)C2)[C@@H](C)O)cc1 272707971 XLWMWTHOZAXYAN-DOMZBBRYSA-N 356.419 1.108 0 50 FDAA Cc1cnc(CCN(C)S(=O)(=O)c2cnn(C3CCOCC3)c2)s1 167338332 KDUOFHXVZGCEOL-UHFFFAOYSA-N 370.500 1.863 0 50 FDAA COc1ccc2c(c1)nc(CNC(=O)N1CCC3(CC1)CNC(=O)C3)n2C 274567810 LGYMDCXNKDTEME-UHFFFAOYSA-N 371.441 1.394 0 50 FDAA CN(CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCNCC2)S(C)(=O)=O 275759633 RMZKJZWTOUTBCC-CQSZACIVSA-N 371.528 1.110 0 50 FDAA C=CC(=O)NCCNC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C 171782946 FYDXEKJNITYQAI-UHFFFAOYSA-N 363.421 1.976 0 50 FDAA Cc1ccn2ncc(C(=O)N[C@H](C)c3ccccc3NS(C)(=O)=O)c2n1 172163377 TZHYKUKRPNTRMI-GFCCVEGCSA-N 373.438 1.900 0 50 FDAA Cc1c(C(=O)N2CCCN(C(=O)c3ccco3)CC2)cnc2ccnn12 1506413659 KSNDWYJOBFSJKI-UHFFFAOYSA-N 353.382 1.619 0 50 FDAA CC(C)C1=NO[C@@H](C(=O)N2CCCN(CCn3cc(Cl)cn3)CC2)C1 1529173719 OOSUFSDGUUOVOI-MRXNPFEDSA-N 367.881 1.872 0 50 FDAA COc1cccc([C@H]2CN(C(=O)CCCn3cncn3)C[C@@H]2C(=O)O)c1 220194805 VQBMRRWQUQVYKA-CVEARBPZSA-N 358.398 1.394 0 50 FDAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(Cc1cnc(-c3cccs3)nc1)C2 1704354399 BGOKYBSXSTVDJS-GJZGRUSLSA-N 374.466 1.422 0 50 FDAA NC(=O)c1ccc2[nH]c(CN3CCC[C@@]4(CCC[C@H]4O)C3)cc(=O)c2c1 1704339871 PECQPRYKGTVZJP-QUCCMNQESA-N 355.438 1.754 0 50 FDAA Cn1cc(C(=O)N2C[C@H]3CNC[C@@]3(CCc3ccccc3)C2)ccc1=O 1772712085 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PIVYZXUVECOUAN-INIZCTEOSA-N 370.515 1.220 0 50 FDAA CCCOc1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)O)CC3)C2=O)cc1 18325145 RRDBGCUUHRZIFC-MRXNPFEDSA-N 360.410 1.904 0 50 FDAA COc1ccc2cc(S(=O)(=O)NCCCN3CCOCC3)ccc2c1 19619412 KSKSYYLLOPUBRK-UHFFFAOYSA-N 364.467 1.849 0 50 FDAA CC(C)(C)OC(=O)NCc1ccc(B(O)OC(C)(C)C(C)(C)O)cc1 169980218 IQJXBRLEIDPGIQ-UHFFFAOYSA-N 351.252 1.965 0 50 FDAA CC(C)NC(=O)c1cc2c(s1)CCOC21CCN(C[C@@H](O)CO)CC1 1857691584 RBWSWBHWIDBPHO-CYBMUJFWSA-N 368.499 1.103 0 50 FDAA COc1ccnc(CN2C[C@@H]3COC[C@]3(C(=O)NC3CCC3)C2)c1OC 1857693444 XDTSLVMQQBPUEJ-BFUOFWGJSA-N 361.442 1.216 0 50 FDAA Cc1nc(N2CCOCC2)sc1C(=O)NCCCNc1cccnc1 1857722213 FOIFQIBFBCSTAY-UHFFFAOYSA-N 361.471 1.915 0 50 FDAA OCCOc1ccccc1-c1nccn1[C@H]1C[C@H]2CO[C@@H](CCO)CN2C1 1857730505 UZXYQBMYCNUNCY-ULQDDVLXSA-N 373.453 1.318 0 50 FDAA COc1ccc2oc(N3CCC[C@@H](CC(=O)NCCNC(C)=O)C3)nc2c1 1857732763 FPXCXNBSSTZMLG-AWEZNQCLSA-N 374.441 1.695 0 50 FDAA Cn1cc([C@@H]2Nc3ccc(Cl)cc3C(=O)N2CC2CC2)c(=O)n(C)c1=O 329448531 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2325857984 WWRSQXCXFRFCGB-UHFFFAOYSA-N 362.393 1.886 0 50 FDAA O=C1OCCN1C1CCN(S(=O)(=O)C[C@@H]2CCC(F)(F)C2)CC1 867533988 VXPXYSGLRXSBGT-LLVKDONJSA-N 352.403 1.668 0 50 FDAA COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3)CC2)cc1 893012 NAWOHHGHDDAWPV-UHFFFAOYSA-N 361.423 1.237 0 50 FDAA Cc1cc(-c2cc(C)c(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)cc1N 1669771 PHICKPBIPXXFIP-UHFFFAOYSA-N 372.424 1.628 0 50 FDAA O=C([C@H]1CCc2ncnn2C1)N1CCC2(CC1)OCCc1ccsc12 2356140060 RUYUTKNRGHJXEQ-AWEZNQCLSA-N 358.467 1.993 0 50 FDAA CS(=O)(=O)N(CC1COCCOC1)c1cccc(N2CCCC2=O)c1 2356145227 HDARUADDIRFKJJ-UHFFFAOYSA-N 368.455 1.242 0 50 FDAA C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(S(C)(=O)=O)CC2)C1 2933917 PEWHIDLKSVEFPS-GASCZTMLSA-N 359.536 1.142 0 50 FDAA Cn1cnc2nc(=NC[C@@H]3CN(Cc4ccccc4)CCCO3)[nH]cc21 2356169661 GLJXGTQDHACCGD-MRXNPFEDSA-N 352.442 1.488 0 50 FDAA Cc1c(NC(=O)CCNS(C)(=O)=O)cccc1C(=O)NC(C)(C)C 55132165 MLYOCILVPGNKLJ-UHFFFAOYSA-N 355.460 1.401 0 50 FDAA CN(C)C1(CNC(=O)c2cc(CN3CCC(O)CC3)on2)CCCCC1 67490535 UGGWYLMSXNEBEE-UHFFFAOYSA-N 364.490 1.626 0 50 FDAA Cc1cccc(-n2nc(CC(C)C)nc2CCn2ccc(=O)[nH]c2=O)c1 65426584 CGYKFOAJZZAGRR-UHFFFAOYSA-N 353.426 1.867 0 50 FDAA COc1cc(OC)c(OC)cc1CN1C[C@@H](N)C[C@H]1C(=O)NC(C)C 67868020 AYCOLECODHIPSQ-KBPBESRZSA-N 351.447 1.139 0 50 FDAA O=C(c1ccon1)N1CCc2ncnc(NCc3cccnc3)c2CC1 72447874 ROGOXPJTYACDNM-UHFFFAOYSA-N 350.382 1.713 0 50 FDAA CC(=O)Nc1cccc2c1CCN([C@@H]1CCCN(c3cnn(C)c3)C1=O)C2 172758340 XDNJULADDNDXOW-LJQANCHMSA-N 367.453 1.932 0 50 FDAA O=C1c2ccccc2C(=O)N1CCNCCN1C(=O)c2ccccc2C1=O 1610008 YQNSTSVPCJTWSA-UHFFFAOYSA-N 363.373 1.168 0 50 FDAA biogenic CC(C)c1cc(C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)no1 121579108 NPGHJLUOHFOGOT-UHFFFAOYSA-N 371.441 1.825 0 50 FDAA Cc1cc(C)c(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cc1C(=O)O 324347834 DVFBQWMGLUCHNN-VXGBXAGGSA-N 354.428 1.276 0 50 FDAA O=C(Cc1c[nH]c2ccccc12)NCc1cc(N2CCOCC2)ncn1 72454825 LUHBGPMELUAPKK-UHFFFAOYSA-N 351.410 1.653 0 50 FDAA O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C[C@H]1O)c1cnccn1 77394057 WQUUOYYMVNOSHN-DGCLKSJQSA-N 367.331 1.260 0 50 FDAA Cn1c([C@H]2CCCN2C[C@H](O)COC2CCOCC2)nc2c1CCCC2 328654664 XPBPRVBSMRYHSV-HNAYVOBHSA-N 363.502 1.992 0 50 FDAA CNC(=O)c1ccc([C@@H]2CCCCN2CC(=O)Nc2cc(C)nn2C)n1C 328628407 HETTZVDGSWSZQY-HNNXBMFYSA-N 372.473 1.592 0 50 FDAA NC(=O)NCC(=O)N1CC[C@]2(CCCN(CCCc3ccccc3)C2)C1 72150724 MLGXORKKZGVRJC-FQEVSTJZSA-N 358.486 1.602 0 50 FDAA O=C(C[C@H]1CCS(=O)(=O)C1)N1CCN(c2ncnc3ccccc23)CC1 72430309 CKGFDICBFAZWKB-CQSZACIVSA-N 374.466 1.103 0 50 FDAA O=C(O)CCC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 72448005 NHTQZQKHLYOCQP-VHKYSDTDSA-N 372.421 1.669 0 50 FDAA O=C(c1cc[nH]n1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 72162542 KOHUPVWZFLQSAN-GDIGMMSISA-N 366.421 1.841 0 50 FDAA Cn1cc(-c2ncc(C(=O)N[C@@H]3CCCN(c4cnn(C)c4)C3)s2)cn1 154238628 KUFPRMWMXDLMNJ-CYBMUJFWSA-N 371.470 1.676 0 50 FDAA O=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CCCn2cncc2C1 72125695 SXXWRDKXYDIESE-UHFFFAOYSA-N 354.819 1.841 0 50 FDAA CCN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccc(OC)c4)C(=O)[C@@H]13)O2 77452206 VQMCTDVBBFRNCY-XLSPSMHOSA-N 356.422 1.456 0 50 FDAA Cc1ccc(S(=O)(=O)NC(=O)N2CCN(Cc3ccccn3)CC2)cc1 13325184 IGEMULSPLCVAIH-UHFFFAOYSA-N 374.466 1.606 0 50 FDAA Cc1cn2c(C(=O)N[C@@H]3CCOC[C@H]3OCCN(C)C)csc2n1 219930455 BTEHOTHUWKNFHT-TZMCWYRMSA-N 352.460 1.170 0 50 FDAA Cc1nc(CCNc2cc(C3CC(N)C3)nc(N)n2)nc2c1CCCC2 219776006 NLOVCNFOVGUHFB-UHFFFAOYSA-N 353.474 1.895 0 50 FDAA CCOC(=O)N1CCN([C@@H]2CCCN(C(=O)c3ccc(O)cn3)C2)CC1 72125570 GUIODOMLYCTCPH-CQSZACIVSA-N 362.430 1.166 0 50 FDAA CCN(CC)C(=O)Cn1cc(C(=O)N(C)C[C@@H]2Cc3ccccc3O2)nn1 72151720 PODLKEIJTCXFAI-HNNXBMFYSA-N 371.441 1.222 0 50 FDAA CNCCN1C(=O)CC[C@H]2CN(C(=O)c3cc4ccccc4[nH]3)CC[C@H]21 72425312 JRNGKSPPMSBWRQ-MAUKXSAKSA-N 354.454 1.840 0 50 FDAA CC(C)C(=O)Nc1cc(C(=O)Nc2c(C(N)=O)n[nH]c2C(C)C)ccn1 457117553 KIQCCDRCGQWIHW-UHFFFAOYSA-N 358.402 1.874 0 50 FDAA C[C@@H]1CCc2cc(F)ccc2N1C(=O)CN1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 72130953 FYTVDJUDCOKMHI-UMILVCPXSA-N 362.445 1.557 0 50 FDAA Cc1cc(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2cncn2C)c(C)n1C1CC1 375649729 GEOJJXRYNQCEOV-CRAIPNDOSA-N 355.442 1.923 0 50 FDAA CCNC(=O)N1CC[C@@H](NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)C1 158338723 BQLRLGVWOPNXGM-ZWKOTPCHSA-N 358.486 1.819 0 50 FDAA C[C@H](Cn1cccn1)C(=O)N1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1 71763876 RJEGBIDBXFBNGX-CYBMUJFWSA-N 364.409 1.249 0 50 FDAA Cn1cncc1C(=O)N1CCC[C@](O)(CNC(=O)c2cccc(F)c2)CC1 72135497 JGMHLPLQKJGZSF-LJQANCHMSA-N 374.416 1.346 0 50 FDAA O=C(O)[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(N2CCNC2=O)c1 262664606 MVVINIZUOYNPJU-LBPRGKRZSA-N 351.790 1.949 0 50 FDAA CCOCCNC(=O)[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(C)c(F)c2)C1 72480526 DTOSGSFNUMUQGW-UONOGXRCSA-N 372.462 1.734 0 50 FDAA COc1cccc(C(=O)N2CCN(C(=O)[C@@H](C)n3ccnc3C)CC2)c1 77469737 BVPFAKMPDVFHCT-CQSZACIVSA-N 356.426 1.746 0 50 FDAA O=C(Cn1nccc1[C@@H]1CCCNC1)NCCNC(=O)c1ccc(F)cc1 426434852 NOPLRCLYDOPVTO-OAHLLOKOSA-N 373.432 1.035 0 50 FDAA CCc1nccn1CCNC(=O)c1cccc(-c2cc(OC)nc(N)n2)c1 426496936 MZZXIPABCKVCDN-UHFFFAOYSA-N 366.425 1.923 0 50 FDAA CN1C(=O)COc2ccc(C(=O)N3CCOc4ccc(CO)cc4C3)cc21 426474397 SVSWYXSLFAKTAZ-UHFFFAOYSA-N 368.389 1.569 0 50 FDAA COc1ccc(Cn2cc(-c3cc(N4CCOCC4)nc(N)n3)cn2)cc1 426399070 RJDBJOGQMADZBD-UHFFFAOYSA-N 366.425 1.816 0 50 FDAA CN(Cc1nc(-c2ccncc2)no1)C(=O)CCN1CCCCCC1=O 82099702 UFSRLGVCOQHBHQ-UHFFFAOYSA-N 357.414 1.883 0 50 FDAA CN1CCN2CCN(C(=O)Nc3cccc(OC4CCCC4)c3)C[C@@H]2C1=O 95511430 NDNZHEYMVJSZMS-GOSISDBHSA-N 372.469 1.998 0 50 FDAA Cn1nc(C(=O)NCc2nc(-c3cnccn3)n[nH]2)cc1-c1ccccc1 426465044 BNAAYBNEJKSYCA-UHFFFAOYSA-N 360.381 1.592 0 50 FDAA CN1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(C(=O)N3CCOCC3)cc1)C2 91620177 HQDKRIAOALAGIL-MAUKXSAKSA-N 357.454 1.325 0 50 FDAA CCc1noc(CN2CCC(c3nnc(Cn4cccn4)n3CC)CC2)n1 92027975 CYKLEXXUPMAEPR-UHFFFAOYSA-N 370.461 1.868 0 50 FDAA Cc1ncc(C(=O)N2CCC3(CCN(CC4CC4)CC3)[C@H](CO)C2)cn1 97402494 KWJUFJILECNLED-SFHVURJKSA-N 358.486 1.732 0 50 FDAA COc1ccccc1OC1CN(C(=O)[C@H]2CCCN(C(=O)N(C)C)C2)C1 95364375 VLWKNEKSSOAPKH-AWEZNQCLSA-N 361.442 1.678 0 50 FDAA Cc1nc2n(c1C(=O)N(C)C)CCN(C(=O)c1nc3ccccn3c1F)C2 91793207 OKKPTJMOUYGFKS-UHFFFAOYSA-N 370.388 1.336 0 50 FDAA O=C(NCCS(=O)(=O)c1ccc(F)cc1)[C@@H]1COc2ccccc2O1 96140453 YLBXEKJVQFIZQT-INIZCTEOSA-N 365.382 1.556 0 50 FDAA CC(C)c1ncc(C(=O)N[C@H]2CN(C)S(=O)(=O)c3ccsc32)cn1 97784837 ULZYWTJOMCNSDM-NSHDSACASA-N 366.468 1.767 0 50 FDAA CC(C)C[C@@H](c1ncnn1C)n1ccnc1-c1cn(C2CCNCC2)nn1 91846275 WKTCSEYCSRJOFK-INIZCTEOSA-N 369.477 1.830 0 50 FDAA O=C1COc2cc(C(=O)N3CCC[C@H](c4ccn(CCO)n4)C3)ccc2N1 426432061 UMDDRMDZDPWMNC-AWEZNQCLSA-N 370.409 1.226 0 50 FDAA C[C@@H]1CN(C(=O)CCc2nc(Cl)n[nH]2)CC[C@@]1(O)C1CCOCC1 91625258 PQOMKRHBOUTMBV-BZNIZROVSA-N 356.854 1.417 0 50 FDAA CCCc1nc2nc[nH]n2c(=O)c1NS(=O)(=O)c1ccc(OC)cc1 140023627 XHCOVCGFNBJCPA-UHFFFAOYSA-N 363.399 1.180 0 50 FDAA CC(C)[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[nH]2)C[C@H]1NC(=O)N(C)C 92064948 HWFAVYPTAYDWGD-WMLDXEAASA-N 370.453 1.896 0 50 FDAA CCNc1ccnc(N2CCC(c3nnc(Cn4cncn4)n3C)CC2)n1 91325534 DTAXKYOOHNSBIN-UHFFFAOYSA-N 368.449 1.061 0 50 FDAA CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccccn2)CN1Cc1c[nH]cn1 96180665 VPIHMFSUOJDFIR-YOEHRIQHSA-N 370.457 1.046 0 50 FDAA O=C1N[C@@H]2CCCC[C@H]2N[C@H]1CC(=O)N1CCN(Cc2ccccc2)CC1 239403176 ROUPVEVEXKIBOB-QRVBRYPASA-N 370.497 1.120 0 50 FDAA COc1ccc2c(c1)OC[C@@H](CNS(=O)(=O)N1CCCCCC1)C2 91724902 XARZLYCIRVYNMW-CQSZACIVSA-N 354.472 1.957 0 50 FDAA Cc1nc(N)nc(N2CCO[C@H](Cc3noc(-c4ccccn4)n3)C2)c1C 92097915 QVRJXIIIDUFHCQ-CYBMUJFWSA-N 367.413 1.569 0 50 FDAA O=C(c1ccc2c(c1)ncn2CCO)N1CCCN(C(=O)C2CCC2)CC1 97743658 YDPFLXYJQUTMKW-UHFFFAOYSA-N 370.453 1.503 0 50 FDAA CN(C)CCO[C@H]1C[C@@H](O)C12CCN(C(=O)CCc1ccco1)CC2 91966336 PHHFZHONKRLDIT-SJORKVTESA-N 350.459 1.532 0 50 FDAA COc1ccc(F)cc1[C@@H](NC(=O)c1ccc(=O)n(C)n1)[C@H]1C[C@@H](O)C1 244748588 OKKHQYKMFHYQAJ-BFCNOCSMSA-N 361.373 1.170 0 50 FDAA Cc1noc(CN(C)C[C@]2(O)CCCN(CCc3ccccc3)C2=O)n1 67674959 UFHIFZYSPVYQPA-LJQANCHMSA-N 358.442 1.406 0 50 FDAA Cc1ccc(S[C@H](C)C(=O)N2CCN(C(=O)c3nc[nH]n3)CC2)cc1 299759102 NNQAHXYTJZXCDS-CYBMUJFWSA-N 359.455 1.578 0 50 FDAA CN1CC(=O)N(c2cccc(NC(=O)N3CCC4(CCO4)CC3)c2)C1=O 299789679 AATMAUGINPUBLL-UHFFFAOYSA-N 358.398 1.872 0 50 FDAA O=C(O)C1CC(NS(=O)(=O)c2cc(F)ccc2Br)C1 871637382 DANVZWJCVFHIHY-UHFFFAOYSA-N 352.181 1.730 0 50 FDAA CCn1nc2c(c1C(=O)NCCc1cn3cccnc3n1)C[C@H](C)O[C@@H]2C 1875314239 OKTFVMIDKFOCRE-QWHCGFSZSA-N 368.441 1.940 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)NCc2noc3c2CC(F)(F)CC3)C1 1875380502 QYRROSXIRCVYOE-NSHDSACASA-N 353.369 1.839 0 50 FDAA CC(C)n1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cc(CN)cs1 1875362772 SBICEGXABDQBFO-MLGOLLRUSA-N 361.471 1.734 0 50 FDAA CN(C)c1nc2ccc(C(=O)N[C@@H]3C[C@@H](Cn4ccnc4)C[C@H]3O)cc2[nH]1 1875402590 IDLYQSKOFXOYMW-CSMYWGQOSA-N 368.441 1.395 0 50 FDAA Cn1c(O)nnc1[C@@H]1[C@@H](C2CC2)CCN1C(=O)Cn1cnc2c1CCCC2 1875401139 GPEPJPDGNSSFAH-DYVFJYSZSA-N 370.457 1.596 0 50 FDAA Cc1noc([C@@H](C)N2C[C@H](NC(=O)c3cnc(O)cc3C)C(C)(C)C2)n1 1875407004 QSQDQMSTVRENQN-RISCZKNCSA-N 359.430 1.988 0 50 FDAA Cc1nnc(SCC(=O)NCCn2nc(-c3ccccc3)ccc2=O)o1 952873200 ILCBRUQSKIGDSX-UHFFFAOYSA-N 371.422 1.510 0 50 FDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(c2cc(C(F)(F)F)nc3ncnn23)C1 888077681 OYYXDMCGWHGRIS-RKDXNWHRSA-N 353.308 1.833 0 50 FDAA Cc1cnc(COCC(=O)N[C@@H]2C[C@]3(C[C@H]2O)CN(C)[C@H]3C(C)C)o1 888094644 GSOMCGDXLSQWCE-KNCCTNLNSA-N 351.447 1.096 0 50 FDAA Cc1cc(C(=O)N[C@H]2CCN(c3nc4ccccc4s3)C[C@@H]2O)no1 1565531106 GLVGMXNMRRHGGT-FZMZJTMJSA-N 358.423 1.962 0 50 FDAA CN(CC(N)=O)C[C@H]1CN(C(=O)C[C@H]2CCCc3ccccc32)CCO1 276339517 HBNORBBATCMXJE-SJORKVTESA-N 359.470 1.141 0 50 FDAA O=C(Nc1ccc(-n2nccn2)cc1)N1CCC(Cn2cncn2)CC1 188579977 AMKRRISJAKDJFB-UHFFFAOYSA-N 352.402 1.803 0 50 FDAA O=C(c1cnn[nH]1)N1CCCN(C(=O)c2ccc(F)cc2Cl)CC1 1529091831 RFHXCIKRMSBUMO-UHFFFAOYSA-N 351.769 1.586 0 50 FDAA CN1CCC(C(=O)N2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)CC1 1529195503 LEYPRCQJOFQBSM-YLJYHZDGSA-N 353.466 1.938 0 50 FDAA CC1CCN(C(C)(C)CNC(=O)[C@H]2OCC(=O)N[C@@H]2c2cccnc2)CC1 1529125540 OMPRICPARKHLSU-MSOLQXFVSA-N 374.485 1.264 0 50 FDAA CC(C)C(=O)NCC(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1704353286 DNWLDUFUZZGNDD-QAPCUYQASA-N 355.438 1.681 0 50 FDAA Cc1ccc(CN2C[C@H]3COC[C@@H]2CN(c2ncccc2C(N)=O)C3)o1 1772708933 LXILJQVZAALVHN-CABCVRRESA-N 356.426 1.419 0 50 FDAA CCn1cc(C(=O)N[C@H]2CC(=O)N(CCc3ccc(OC)cc3)C2)cn1 12835836 PYQFIMAHMCYDTN-INIZCTEOSA-N 356.426 1.485 0 50 FDAA Cc1cccc(CN2CCN3C(=O)[C@H](CC4CCCCC4)NC(=O)[C@H]3C2)n1 14748526 XRGQOVPHSLZINM-RBUKOAKNSA-N 370.497 1.872 0 50 FDAA Cc1ccc2c(CC(=O)N3CCC[C@@H](N4CCOCC4)C3)cc(=O)oc2c1 19740280 SFLHZYBLLWNBOM-QGZVFWFLSA-N 370.449 1.967 0 50 FDAA CC[C@]12COC(=O)N1CCN(C(=O)CCc1c(C)nc3ncnn3c1C)C2 1857677358 XUXIVOIXADXXMA-SFHVURJKSA-N 372.429 1.117 0 50 FDAA O=C(NCCc1ccncc1)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCNC2 1857682601 KLSVTDXSFAEBDU-SVFBPWRDSA-N 372.513 1.221 0 50 FDAA CCCN1CCOC2(CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)CC1=O 1857684286 HFYJUTJLCJSTSL-UHFFFAOYSA-N 374.485 1.922 0 50 FDAA CN(C)C[C@@H]1OCCN(C(=O)c2ccc(F)cc2F)[C@H]1c1cnn(C)c1 1857716720 FDBSTAITHGPYBP-IRXDYDNUSA-N 364.396 1.842 0 50 FDAA O=C(Cc1ccc(CO)cc1)N1CC[C@@H](O)[C@@](CO)(Cc2ccccc2)C1 1857724161 ODSYCKMJPNJFLD-IRLDBZIGSA-N 369.461 1.536 0 50 FDAA CCCO[C@@H]1C[C@@H](C(=O)N2CCN(Cc3ncccc3C)CC2)CC[C@H]1N 1875244522 MYQLFGRTVMRDRS-NLWGTHIKSA-N 374.529 1.957 0 50 FDAA COc1ccc(C(C)(C)C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1 132958859 MHWUGKHAAQFTQQ-AWEZNQCLSA-N 354.472 1.513 0 50 FDAA O=C(C1CCC1)N1CCN(C/C=C/c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 247960107 XCJFOVIGMLQAKX-UZCSHQTLSA-N 374.506 1.810 0 50 FDAA CS(=O)(=O)N[C@H]1CCN(C(=O)C2(c3ccccc3F)CCCC2)C1 265309047 DOGSQANLJUQICX-ZDUSSCGKSA-N 354.447 1.788 0 50 FDAA O=C(O)[C@H]1CN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC[C@@H]1O 1704297223 PTYVRLJTQATOKK-QWRGUYRKSA-N 369.317 1.041 0 50 FDAA COc1ccc(S(=O)(=O)N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)cc1F 1704358251 HTWZXJIRKPVSFP-IAGOWNOFSA-N 372.462 1.302 0 50 FDAA COC(=O)c1ccc(COc2ccc(-c3nnn(CC(N)=O)n3)cc2)cc1 1080514 DMCMJTGWYYXPFY-UHFFFAOYSA-N 367.365 1.191 0 50 FDAA CC[C@@H](SC1=NCCS1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2746203 GONLHFHHEUXZHP-LLVKDONJSA-N 359.498 1.887 0 50 FDAA aggregator CC(=O)N(C)CC(=O)N1CCC[C@@H](NC(=O)CC2CC(F)(F)C2)[C@@H]1C 2325794034 OUWROPDDNLAQJU-SMDDNHRTSA-N 359.417 1.396 0 50 FDAA COC(=O)c1nc(N2CCN(c3cnccn3)[C@@H](C)C2)c2sccc2n1 2325802740 YXWKYAFTMNLLQU-NSHDSACASA-N 370.438 1.983 0 50 FDAA CC(C)[C@H](NS(=O)(=O)[C@H]1COC[C@H]1O)c1ccc(Cl)cc1F 2325819341 BGXAFFMZDZVTCX-RDBSUJKOSA-N 351.827 1.855 0 50 FDAA CC1(C)[C@@H](O)C[C@]1(N)C(=O)N1CCc2c(Br)cccc2C1 2325849423 PBUWNCVRERVZEL-BBRMVZONSA-N 353.260 1.822 0 50 FDAA O=C(C[C@@H]1C(=O)NCCN1C(=O)c1ccccc1)Nc1ccc(F)cc1 1032752 RHWFTPWWTLKIRV-MRXNPFEDSA-N 355.369 1.795 0 50 FDAA CC1(C)NC(=O)N(C[C@H](O)COc2ccccc2Br)C1=O 1258847 MTROSLTYOPPOEW-VIFPVBQESA-N 357.204 1.519 0 50 FDAA COCCN1CCC[C@@]2(CCCN2C(=O)c2n[nH]c3ccccc23)C1=O 2356141834 RNZIKDPULIYCEM-LJQANCHMSA-N 356.426 1.807 0 50 FDAA COC(=O)c1cc(C)nc(N2CCc3nc(-c4cccnc4)nn3CC2)n1 2356149619 MEUWXXRQCWYHEH-UHFFFAOYSA-N 365.397 1.288 0 50 FDAA Cn1nccc1-n1nc(-c2ccc(C(N)=O)cc2)nc1[C@H]1CC[C@@H](N)CC1 2356158419 JORLSPYIZOWIJW-GASCZTMLSA-N 365.441 1.752 0 50 FDAA O=C([C@@H](NS(=O)(=O)c1ccccc1)c1ccccc1)N1CCOCC1 6702967 HHWXRRVUWZTJOY-KRWDZBQOSA-N 360.435 1.565 0 50 FDAA COCCc1noc(CN(C)[C@H](C(=O)O)c2cc(F)ccc2OC)n1 55099048 ZRFGBDICTLTBRO-HNNXBMFYSA-N 353.350 1.664 0 50 FDAA COCCn1cncc1CNC(=O)c1ccc(CSc2ncn[nH]2)o1 55253517 AASNGKFHHVHKMA-UHFFFAOYSA-N 362.415 1.463 0 50 FDAA COCc1noc(CCNc2nc(-c3ccccc3)nc3c2CCNC3)n1 67784421 OXGPGTMIPPNCBC-UHFFFAOYSA-N 366.425 1.973 0 50 FDAA CCc1cn[nH]c1C1CCN(C(=O)c2sccc2S(N)(=O)=O)CC1 67769889 GLAJNIPCXAMTFO-UHFFFAOYSA-N 368.484 1.701 0 50 FDAA CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1 25904542 CNYNYMJFRXPCRM-ZDUSSCGKSA-N 365.455 1.424 0 50 FDAA CCn1nc(C)c(NC(=O)CN2CCC(Oc3ncccn3)CC2)c1C 65530512 SHAJGRMYWLYJBR-UHFFFAOYSA-N 358.446 1.792 0 50 FDAA CCc1cc(CN2C(=O)N[C@](c3cccnc3)(C3CCNCC3)C2=O)on1 67846772 KGOLZSVFASAEPM-IBGZPJMESA-N 369.425 1.579 0 50 FDAA CN1C[C@H](NC(=O)c2cc(C3CC3)n[nH]2)c2sccc2S1(=O)=O 67692748 CPDVTEXVFAGJPZ-NSHDSACASA-N 352.441 1.454 0 50 FDAA Cc1c(C(=O)N2CCCn3nc(C#N)cc3C2)sc2ncn(C)c(=O)c12 63885011 YCYSBEZTTLEAMZ-UHFFFAOYSA-N 368.422 1.418 0 50 FDAA C[C@@H](C(=O)N(CC(=O)O)C1CCN(S(C)(=O)=O)CC1)c1cccs1 328637813 OVSQXWUADWUBPR-LLVKDONJSA-N 374.484 1.189 0 50 FDAA CCOc1ccccc1CN1CCN(S(=O)(=O)C2COC2)[C@@H](C)C1 328613299 QFFRLBFEXVUAJR-AWEZNQCLSA-N 354.472 1.320 0 50 FDAA Cc1cc(C(=O)N2CCC[C@@H](N(C)Cc3noc(C)n3)CC2)nc(O)n1 328624513 CLDCIPLOUYKKPY-CYBMUJFWSA-N 360.418 1.309 0 50 FDAA COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1oc2c(C)c(C)ccc2c1C 11878376 OREVUTAEJWSRJW-CQSZACIVSA-N 358.394 1.862 0 50 FDAA CCOc1cccc(N2CCN(C(=O)[C@H](CC)N3CCCC3=O)CC2)n1 173168788 SDBKCHGJKCWOTP-HNNXBMFYSA-N 360.458 1.530 0 50 FDAA Cc1cc(C)c2[nH]c(C)c(CC(=O)N3CCC4(CC3)NCCNC4=O)c2c1 67948090 NIRNFGCVFDKWMY-UHFFFAOYSA-N 368.481 1.716 0 50 FDAA CN(C)c1cccc(CNC(=O)CCc2nc(-c3ccccn3)no2)n1 152015128 KANXZVCZWBMPSD-UHFFFAOYSA-N 352.398 1.842 0 50 FDAA O=C1NC[C@]2(CCCN(C(=O)c3ccc(CSc4ncn[nH]4)o3)C2)O1 72154960 JJDXTHYXDAQJDJ-HNNXBMFYSA-N 363.399 1.405 0 50 FDAA O=C(c1n[nH]cc1Cl)N1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1 71575655 LXWTVMTXFCBMOL-UHFFFAOYSA-N 356.773 1.407 0 50 FDAA CSc1ncc(CNC(=O)[C@H](Cc2ccccc2)n2cnnn2)n1C 219947027 VXPAYQPNHTZBDM-AWEZNQCLSA-N 357.443 1.229 0 50 FDAA CNC(=O)c1cccc(NC(=O)[C@H](C)Nc2cnn(C[C@@H]3CCCO3)c2)c1 363999192 ISPMQTCPYZQEOT-GUYCJALGSA-N 371.441 1.861 0 50 FDAA CC1(C)NC(=O)N(CC(=O)N2CCC[C@H](C(=O)c3ccccc3)C2)C1=O 77375391 FKLJFCYULSTRHQ-AWEZNQCLSA-N 357.410 1.438 0 50 FDAA CN(Cc1ccncn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CC(C)(C)C)C(=O)[C@@H]13)O2 77423751 WPEQKILRMQQNCG-MFCZKXCZSA-N 370.453 1.263 0 50 FDAA CS(=O)(=O)N1CC(CNc2nc(-c3cccnc3)nc3c2CCC3)C1 490042805 OXOFDDDKTRSKIQ-UHFFFAOYSA-N 359.455 1.331 0 50 FDAA CC(C)[C@@H](NC1CCOCC1)C(=O)N1CCN(c2ccc(F)cn2)CC1 371426302 PALWQLOIIAYMEX-GOSISDBHSA-N 364.465 1.663 0 50 FDAA Cc1nc2ccc(S(=O)(=O)N3C[C@@H]4CC[C@H](C3)N(C)C4=O)cc2s1 72476006 FNQHIXJXPMYMSZ-NWDGAFQWSA-N 365.480 1.846 0 50 FDAA CN(C)S(=O)(=O)N1CCN(Cc2cnc(C3CCCCC3)nc2)CC1 215974552 UWJHEJHQNZQLKI-UHFFFAOYSA-N 367.519 1.448 0 50 FDAA Cc1ccc([C@@H]2CN(C(=O)CCn3cnnc3)C[C@H]2NC(=O)C2CC2)cc1 77322961 HMBYYFGNVUZLNA-ZWKOTPCHSA-N 367.453 1.497 0 50 FDAA NC(=O)NCC(=O)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2=O)C1 72143532 LLPQDIYYDJNFPG-FQEVSTJZSA-N 372.469 1.129 0 50 FDAA Cc1occc1C(=O)N1CCN(C(=O)CC(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 72424949 IUIQHFVUNQQAHR-CABCVRRESA-N 368.455 1.084 0 50 FDAA C[C@@H]1CN(C(=O)c2cncc(-n3ccnn3)c2)c2ccccc2N(C)C1=O 374570467 MFBGFSIZZFGSLX-CYBMUJFWSA-N 362.393 1.922 0 50 FDAA O=C(O)C[C@@H]1CN(C(=O)CCc2nc(-c3cccs3)no2)CCO1 262426675 HWHWAMRLLSCWEF-SNVBAGLBSA-N 351.384 1.433 0 50 FDAA O=C(O)c1ccc(CCC(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1 262674034 XYDCSTKLDDQAOQ-UHFFFAOYSA-N 374.437 1.415 0 50 FDAA Cc1cc(=O)nc(S[C@H](C)C(=O)N2CCC(O)(c3cccnc3)CC2)[nH]1 216112063 GRQCYFOIAVRHHN-CYBMUJFWSA-N 374.466 1.464 0 50 FDAA O=C(N[C@H]1C[C@@H](C(=O)O)C1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 263208039 LBEYNLLQDHTCIF-BJHJDKERSA-N 366.364 1.796 0 50 FDAA COCCNc1nc(C)nc2c1CCN(C(=O)Cc1cc(C)no1)CC2 72463555 GVWKBNXUDCKIHR-UHFFFAOYSA-N 359.430 1.310 0 50 FDAA O=C(c1ccc(O)cc1)N1CCN(C(=O)[C@H]2COc3ccccc32)CC1 175303555 PLTNLLYAMNCYII-KRWDZBQOSA-N 352.390 1.853 0 50 FDAA Cn1nccc1C(=O)N1CCC[C@@H]1c1ccc(C(=O)N2CCOCC2)s1 20204520 HNBSMSUKIFGVHX-CYBMUJFWSA-N 374.466 1.931 0 50 FDAA CC(C)C(=O)Nc1nnc(S(=O)(=O)N(C)[C@@H]2CCCC[C@H]2O)s1 223467174 PBQGRFQFPJRSEA-NXEZZACHSA-N 362.477 1.057 0 50 FDAA Cc1ncnc(N2CCN(C(=O)CN3CCc4ccccc4C3)CC2)c1C 220199458 FVWCBDWCJCREMX-UHFFFAOYSA-N 365.481 1.800 0 50 FDAA Cc1cc(-c2ccc(C(=O)N3CCC[C@@H](C(N)=O)C3)cc2)nc(N(C)C)n1 426382991 BQRBGGTXXDRNCE-MRXNPFEDSA-N 367.453 1.856 0 50 FDAA CN1CCN(CCC(=O)N2CC[C@@]3(CCCN(CC(C)(C)C)C3)C2)CC1 19788233 NTJBIZVXKIXHDV-OAQYLSRUSA-N 364.578 1.985 0 50 FDAA O=C(NCc1ccc(-n2cncn2)cc1)C1(N2CCOCC2)CCCCC1 220274607 FDBWDICLSGEIIP-UHFFFAOYSA-N 369.469 1.919 0 50 FDAA NCCOc1ccc(F)cc1C(=O)N1CCC2(CC1)OCCC[C@@H]2O 426513780 WXMZZABKFOQGCF-INIZCTEOSA-N 352.406 1.309 0 50 FDAA CC(=O)NC[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc(-n2cccn2)cc1 85533934 CYEPLMIMBUUOFZ-ZFWWWQNUSA-N 366.418 1.110 0 50 FDAA O=C(Cn1cnnn1)N1CCC[C@H](c2nccn2Cc2ccccc2)C1 82098373 DGXFWXBJXYHMFI-INIZCTEOSA-N 351.414 1.324 0 50 FDAA CO[C@@]12CC[C@H](Oc3ccccn3)C[C@@H]1N(C(=O)Cn1ccnc1)CC2 426358266 HUKGYTXMDFYMLV-TXPKVOOTSA-N 356.426 1.896 0 50 FDAA CCCN1C[C@H](NC(=O)Nc2cc(F)c3c(c2)NC(=O)CO3)CC1=O 426405104 HOPSIIGKQZTLDZ-SNVBAGLBSA-N 350.350 1.289 0 50 FDAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2ccn(CCO)n2)C1 426555853 GULMFEMFTKOQRH-ZDUSSCGKSA-N 354.432 1.049 0 50 FDAA CCCNC(=O)c1cccc(S(=O)(=O)NCc2cnn3cccnc23)c1 97757823 DMBOROJSXQGFQS-UHFFFAOYSA-N 373.438 1.348 0 50 FDAA O=C1[C@@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1ccc(Br)cc1 141774443 LFVFPKJVNOVIAU-FJJYHAOUSA-N 350.168 1.254 0 50 FDAA NC(=O)CN1CCC[C@H](C(=O)N2CCc3[nH]c(-c4ccccc4)nc3C2)C1 95500052 JDPQLRQNEQDSKI-HNNXBMFYSA-N 367.453 1.159 0 50 FDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CCCN1CC)CC2 95500475 JADFPUHZVSFRLX-INIZCTEOSA-N 373.501 1.506 0 50 FDAA O=C1N[C@H](CC(=O)N2CCN(C3CCSCC3)CC2)c2ccccc21 97499651 SZBGMLVVFVECIV-QGZVFWFLSA-N 359.495 1.901 0 50 FDAA Cc1nn(C)cc1CNC(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C 95353619 KZSWATDGBPMROU-UHFFFAOYSA-N 368.441 1.382 0 50 FDAA CCN(Cc1noc(C)n1)C(=O)c1cnc(-c2csc(C)n2)nc1O 91254808 KZKUZXZXRNRUEX-UHFFFAOYSA-N 360.399 1.968 0 50 FDAA CCC[C@@H]1CN(CC(=O)N(C)c2ccccc2)C[C@H]1NS(C)(=O)=O 95523915 IIVKDTWRMGNTJY-GDBMZVCRSA-N 353.488 1.299 0 50 FDAA Cc1nc(C)c2c(n1)O[C@H](CN1CCCN(C(=O)c3ccco3)CC1)C2 244659733 HHXJFLJFQXZEIW-HNNXBMFYSA-N 356.426 1.838 0 50 FDAA O=C(C[C@H]1N=C(O)N(Cc2cccc(F)c2)C1=O)NCCc1ccco1 252570646 XBMRFEJDXQKLQO-OAHLLOKOSA-N 359.357 1.793 0 50 FDAA CNC(=O)c1cccc(CNC(=O)N2CCCC[C@H]2CN2CCOCC2)c1 371100954 RCUUFLXJNRITKH-SFHVURJKSA-N 374.485 1.443 0 50 FDAA COc1cccc(C(=O)NCc2nc(C(F)(F)F)n[nH]2)c1OCCCN 299778270 ROFIPMIXZOTXDY-UHFFFAOYSA-N 373.335 1.490 0 50 FDAA CCCc1occc1C(=O)N1CC(N2C[C@H](c3nc(C)no3)CC2=O)C1 864682808 BDJXMESVWLFLSR-GFCCVEGCSA-N 358.398 1.764 0 50 FDAA CC(=O)N1CCC2(CC1)CN(S(=O)(=O)Cc1cccc(C)c1)CCO2 825219153 WEOORDPKUUCDGC-UHFFFAOYSA-N 366.483 1.538 0 50 FDAA CCS(=O)(=O)N1CCN(C(=O)c2ccc([C@@H]3CCCO3)s2)CC1 823412973 BPQWKRWDIDGENN-LBPRGKRZSA-N 358.485 1.707 0 50 FDAA COCC(=O)N1CCOC2(CCN(c3ncccc3C(F)(F)F)CC2)C1 824313517 LUNSYUZMSQDCDB-UHFFFAOYSA-N 373.375 1.945 0 50 FDAA Cc1cc(C)n(C2CN(C(=O)NCCc3noc([C@H]4CCCO4)n3)C2)n1 584887939 XQTPIZIJKZJSIF-CQSZACIVSA-N 360.418 1.543 0 50 FDAA Cc1cc2[nH]cc(C(=O)NCc3nncn3C3CCCCC3)c(=O)n2n1 825292234 ZZBFJGSSDXZTBN-UHFFFAOYSA-N 355.402 1.358 0 50 FDAA Cc1nc(-c2ccc(C(=O)NCCN=c3cc[nH]cc3C)cc2)n(C)n1 584888220 MJWHRZFXKKZTCH-UHFFFAOYSA-N 350.426 1.758 0 50 FDAA NC(=O)c1ccc(NC(=O)CCN2C[C@@H]3CC[C@H](C2)CN3CC2CC2)cc1 1076027157 FTVOZMKBTQLWQL-APWZRJJASA-N 370.497 1.920 0 50 FDAA CCCN1C[C@@H](NS(=O)(=O)c2cc(-n3cccn3)ccc2C)CC1=O 670446968 NSROGHKCZJLNIE-AWEZNQCLSA-N 362.455 1.470 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1ccccc1Cn1cncn1 1875402501 HXFJGGPFASYDKY-ZTFGCOKTSA-N 366.425 1.092 0 50 FDAA COc1ccc(CN2C[C@H]3CCN(C(=O)c4cocn4)CC[C@H]3C2)nn1 1875407232 VPTMUTHWJKIMOF-OKILXGFUSA-N 357.414 1.457 0 50 FDAA Cc1nn[nH]c1C(=O)NC[C@@H]1CC2(CC2)CN1C(=O)[C@H]1C[C@]1(C)C(C)C 1875406934 PCDHPWLRFVJTDK-PMUMKWKESA-N 359.474 1.906 0 50 FDAA Cn1ccnc(N2CCC3(CC2)C[C@@H]3NC(=O)c2ccc(F)cc2)c1=O 952893257 HGNIRMHRNMQDED-HNNXBMFYSA-N 356.401 1.708 0 50 FDAA CCc1ncncc1C(=O)N1C[C@H](c2n[nH]c(COC)n2)[C@@H](C2CC2)C1 952849104 XRBSWFNBFBUAON-KGLIPLIRSA-N 356.430 1.569 0 50 FDAA O=C(NN1CCN(CC(F)(F)F)C1=O)c1coc(C2CCOCC2)n1 1875252958 XYYPSZUXPLYGRB-UHFFFAOYSA-N 362.308 1.513 0 50 FDAA COC(=O)c1cc(NC(=O)c2n[nH]c3c2CN(C)CC3)cc2[nH]ccc12 1875349810 NTKIDBGGARDBNU-UHFFFAOYSA-N 353.382 1.918 0 50 FDAA C=CC(=O)N1CCC(C(=O)N2CC[C@](CO)(c3cccc(F)c3)C2)CC1 1875366052 BLTBOVXFEVJNRE-FQEVSTJZSA-N 360.429 1.713 0 50 FDAA CC(=O)N1C[C@H]2CCC[C@H]1[C@H]2CNC(=O)Cc1cnc2c(C)cccn12 1875327021 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Cc1c(C(=O)N2C[C@H](C)OC3(CCOCC3)C2)cnn1-c1ccc(O)nn1 1339530465 DVQBNRUVLZOZIT-LBPRGKRZSA-N 373.413 1.086 0 50 FDAA O=C(Cn1cnc2ccccc21)N[C@H]1CCOC[C@@H]1OCc1cscn1 1565525345 FYUIQAOTCXXAMG-RDJZCZTQSA-N 372.450 1.983 0 50 FDAA O=C(N[C@H]1CCN(Cc2cscn2)C[C@@H]1O)c1ccc2[nH]ccc2c1 1565526503 AZLKHFBNWBEOCR-IRXDYDNUSA-N 356.451 1.990 0 50 FDAA Cn1cc(N2CC[C@H](N3C(=O)[C@@H]4C[C@@H]5CCCC[C@@H]5N4C3=O)C2=O)cn1 272079501 FEEYXADNIDCEGT-MXAVVETBSA-N 357.414 1.121 0 50 FDAA O=C1CCCC[C@@H]1[C@@H]1COCCN1C(=O)CN1C(=O)CCc2ccccc21 273950423 YBYIUORDODLZGO-AEFFLSMTSA-N 370.449 1.953 0 50 FDAA Cc1ccc(C[C@@H](CNS(=O)(=O)c2c(C)noc2C)C(=O)O)cc1 275016413 OBNHBXMKQPTJED-AWEZNQCLSA-N 352.412 1.822 0 50 FDAA Cc1ccccc1C(=O)NC1CCN(c2nc(N)c3cnn(C)c3n2)CC1 276324908 URJUEONOFGDOEU-UHFFFAOYSA-N 365.441 1.653 0 50 FDAA Cc1cc(C(C)C)nc(N2CCN(CC(=O)Nc3cc(C)on3)CC2)n1 186870470 CXFMLHGSHZVGQS-UHFFFAOYSA-N 358.446 1.966 0 50 FDAA CCCc1cnc(NC(=O)N2CCC(NS(=O)(=O)NC)CC2)s1 225524682 ZOVRFHVYYWZWKV-UHFFFAOYSA-N 361.493 1.146 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O=C1CC[C@@H](NS(=O)(=O)c2ccc(F)c(Br)c2F)CN1 2325775886 XLSQOBXGDZYOQK-ZCFIWIBFSA-N 369.187 1.284 0 50 FDAA C[C@H](CC(=O)NC[C@@H]1CN(C(=O)c2ccn(C)n2)CCCO1)C(F)F 2325864874 CCTQDOORKTXONO-VXGBXAGGSA-N 358.389 1.059 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)C1 2325888600 JQNMZQNLHXOBDA-DOTOQJQBSA-N 355.438 1.675 0 50 FDAA Cc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)N1CCOCC1 990277 BGPMGWHBIKOBEL-UHFFFAOYSA-N 364.423 1.539 0 50 FDAA CN(C)CCCNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 3202876 PCSSIENSOYVDQP-UHFFFAOYSA-N 353.488 1.543 0 50 FDAA CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(CC)c2)CC1 6703945 SAXFSSPSCSRAKJ-UHFFFAOYSA-N 356.444 1.720 0 50 FDAA CNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cn2)ccc1OC 6706823 WOZBVHKCPRTOFY-UHFFFAOYSA-N 355.803 1.904 0 50 FDAA C[C@@H]1CC[C@H](NC(=O)NCc2ccc(-n3ccnc3)nc2)CS1(=O)=O 853270289 QUDZVADBHQMMDM-OCCSQVGLSA-N 363.443 1.032 0 50 FDAA O=C(CCNC(=O)c1ccccc1F)NCc1noc([C@@H]2CCCO2)n1 55359907 CYQPVMNKXWJWLN-ZDUSSCGKSA-N 362.361 1.497 0 50 FDAA Cc1c(C(=O)NC(C)(C)CN2CCOCC2)sc2ncn(C)c(=O)c12 55386968 MZQFYQNPAVJEBS-UHFFFAOYSA-N 364.471 1.144 0 50 FDAA O=C1[C@H]2CCCC[C@H]2C(=O)N1c1nc2[nH]c(-c3ccccc3)cc(=O)n2n1 101086879 NLGPIYINVKQCJS-BETUJISGSA-N 363.377 1.764 0 50 FDAA Cc1c(CN[C@@H]2CCCc3nc(N4CCC(CO)CC4)ncc32)cnn1C 55225639 COZQSGSCYJLMJI-GOSISDBHSA-N 370.501 1.894 0 50 FDAA C[C@H](Cn1cccn1)NCc1ccc(OCC(=O)N2CCOCC2)cc1 55392940 ISFWDTGMTKITKC-MRXNPFEDSA-N 358.442 1.299 0 50 FDAA Cc1cccc(C(C)(C)C)c1NC(=O)N1CCN2C(=O)CNC(=O)[C@@H]2C1 65381530 DMBNZJBFWVLZCL-AWEZNQCLSA-N 358.442 1.467 0 50 FDAA COCc1ncc(CN2CCN(c3cc(C)nc(SC)n3)CC2)cn1 67539826 CVCIKPKTSCRSJC-UHFFFAOYSA-N 360.487 1.766 0 50 FDAA CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)CCc2ccco2)cn1 328632106 ROIAWNKPTLLOHF-OAHLLOKOSA-N 351.428 1.427 0 50 FDAA CN(C[C@H]1CN(C/C=C/c2ccccc2)CCO1)c1nccn(C)c1=O 328646532 SQIKLPKOCSJBIH-YOCVDRLZSA-N 354.454 1.631 0 50 FDAA Cc1ccc(S(=O)(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)c2cccnc12 328626174 LLMLFTOSWXUULT-HNNXBMFYSA-N 371.466 1.944 0 50 FDAA CNC(=O)[C@@H]1CN(C(=O)c2ccc(OCc3ccccc3)cc2)CCO1 360683090 XOSOYFHWUZGYOA-SFHVURJKSA-N 354.406 1.853 0 50 FDAA CN(C)c1nc(-c2cccnc2)nc2c1CCN(C(=O)[C@@H]1CCOC1)C2 71765383 JOXNBPPLHKKVNM-CQSZACIVSA-N 353.426 1.526 0 50 FDAA CCC(CC)N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2cc(C)on2)[C@@H]3C1=O 77455267 CHSDQCSDDJDPEG-XLSPSMHOSA-N 373.453 1.912 0 50 FDAA O=S(=O)(N[C@H]1CCC[C@H](CO)C1)c1cc2c(cc1Cl)OCCO2 332600195 MIJYRXYVRWZTTA-QWRGUYRKSA-N 361.847 1.941 0 50 FDAA O=C(O)[C@]12CCCN[C@@H]1CCN(Cc1ccc(Cn3cccn3)cc1)C2 72152868 MEFMTQIUDGULSU-QUCCMNQESA-N 354.454 1.960 0 50 FDAA O=C(CCn1cncn1)N1CCC(c2cc(N3CCCC3)ncn2)CC1 72428604 FGBAQUZAIFKUPY-UHFFFAOYSA-N 355.446 1.465 0 50 FDAA CCc1noc(C)c1CNC(=O)N1CCS(=O)(=O)C[C@@H]1C1CCC1 333463616 ZOEMEAHDPZIATI-OAHLLOKOSA-N 355.460 1.654 0 50 FDAA COc1ccc(CN2CC[C@]3(C2)CN(C)C(=O)O3)cc1Cn1cccn1 72480690 TZCRZKCSLHQJQY-LJQANCHMSA-N 356.426 1.967 0 50 FDAA NCCN1C(=O)CC[C@H]2CN(Cc3ccc(-n4cccn4)cc3)CC[C@H]21 72457948 HKNYZWHZSOFLAR-PKOBYXMFSA-N 353.470 1.644 0 50 FDAA NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)[C@@H]2C[C@@H]2C(=O)O)c1 262383104 ITHAWHFTVAFWPB-SJORKVTESA-N 367.405 1.838 0 50 FDAA CCNC(=O)c1ccc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c(N)c1 216627256 TURXSYDYWDGFKA-HIFRSBDPSA-N 352.438 1.804 0 50 FDAA biogenic CCNc1ncc(C(=O)N2CCC3(CC2)c2ccccc2C[C@H]3O)cn1 72164073 CRDOXLAVRLTXQC-QGZVFWFLSA-N 352.438 1.999 0 50 FDAA O=C(C[C@@H]1COCCN1C(=O)Nc1ccccc1)NCCn1cccn1 72417833 JHJXKZKOIMPYFN-MRXNPFEDSA-N 357.414 1.322 0 50 FDAA CN1CCN(C(=O)Cc2ccc(NC(=O)C34CCCN3CCC4)cc2)CC1 289667988 RHTPJBNVJGYCBH-UHFFFAOYSA-N 370.497 1.570 0 50 FDAA Cc1cc2c(cc1NC(=O)NCCN1CCCOC1=O)n(C)c(=O)n2C 426574978 HPTOJUFJFDTIMK-UHFFFAOYSA-N 361.402 1.149 0 50 FDAA CCN1CCC[C@@H]1CNC(=O)CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O 223217677 BHPMEZSMWXXVLT-IAGOWNOFSA-N 372.469 1.488 0 50 FDAA Cc1ccc2c(c1)c(C(=O)N[C@@H](c1cnn(C)c1)[C@H]1C[C@H](O)C1)nn2C 220539183 KALIUCCLMBCWTM-HACGYAERSA-N 353.426 1.857 0 50 FDAA NS(=O)(=O)C[C@@H]1CCN(C(=O)c2csc(-c3ccccc3)n2)C1 426431194 XNMMNRGBZMXWKH-LLVKDONJSA-N 351.453 1.561 0 50 FDAA CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccoc2C(F)(F)F)CC1 290617468 WSOCBJYXXHREMY-GFCCVEGCSA-N 359.348 1.677 0 50 FDAA CCc1ccc(CN2CCn3nc([C@H](O)CS(C)(=O)=O)cc3C2)o1 221352024 RLVILUKZGAHYOM-MRXNPFEDSA-N 353.444 1.132 0 50 FDAA Nc1nc(C2CC(O)C2)cc(N2CCN(Cc3ccc(F)cc3)C(=O)C2)n1 220410117 YTAFJNSBZMJPEX-UHFFFAOYSA-N 371.416 1.285 0 50 FDAA CCN1CCN(CC(=O)N2CC[C@]3(CCCN(CC(C)(C)C)C3)C2)CC1 20908902 XAOLFGYMJFNTLK-NRFANRHFSA-N 364.578 1.985 0 50 FDAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)NCCN1CCCC[C@@H]1CO 426574877 XWRTXLBWJMHIOG-CQSZACIVSA-N 363.437 1.690 0 50 FDAA COc1ccc2c(c1)[C@H](C(=O)NCc1cnc(SC)n1C)CC(=O)N2 91808791 APECVCZCJGBSGS-CYBMUJFWSA-N 360.439 1.893 0 50 FDAA COc1cccc(-c2nc3c([nH]2)CCN(C(=O)C[C@H]2COCCN2)C3)c1 96139803 VXCNCCGJVJGRJM-AWEZNQCLSA-N 356.426 1.349 0 50 FDAA Cc1noc(C)c1CN1CC[C@@H](NC(=O)c2ccc(F)c(F)c2)[C@H](O)C1 426389879 QXWXOGCMLRPQNC-IAGOWNOFSA-N 365.380 1.935 0 50 FDAA CCCCN1CCN(C(=O)Nc2ccc(OCC(=O)OC)cc2)CC1=O 96131771 AXEBFNXPPZTWBI-UHFFFAOYSA-N 363.414 1.715 0 50 FDAA Cn1c(C(=O)NCc2ccc(-c3ccc(F)cc3)o2)cc(=O)n(C)c1=O 95507459 FELPMJOYGYYWNA-UHFFFAOYSA-N 357.341 1.413 0 50 FDAA CCCn1ncc(C(=O)N(Cc2cccnc2)C[C@@H]2CCC(=O)N2)c1C 91830911 ZOCFOXUTZDEUJQ-INIZCTEOSA-N 355.442 1.918 0 50 FDAA COc1cccc(-c2n[nH]cc2C(=O)NCCNC(=O)c2cccnc2)c1 91746760 LBFPTTAPLDUFMH-UHFFFAOYSA-N 365.393 1.640 0 50 FDAA COc1cc(CN2CCC3(CC2)[C@@H](OCCN)C[C@H]3O)cc(OC)c1 91519206 DPGMHBLMCVDXRZ-MSOLQXFVSA-N 350.459 1.395 0 50 FDAA COc1cccc(OCCN2CCN(C(=O)C3CCN(C)CC3)CC2)c1 97436797 FYGCBBYSMKJIJU-UHFFFAOYSA-N 361.486 1.560 0 50 FDAA O=C(c1ccn2nnnc2c1)N1CCCN(CCCc2ccccc2)CC1 97772822 QJKOFHOHAARIMS-UHFFFAOYSA-N 364.453 1.905 0 50 FDAA Cc1ccc(N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)nn1 91594764 PPERVEYIEQTELO-UHFFFAOYSA-N 352.442 1.799 0 50 FDAA CN(CCCc1cnn(C)c1)C(=O)[C@H]1CC(=O)N(Cc2cccnc2)C1 95523868 FDWWWLKESNTUHG-KRWDZBQOSA-N 355.442 1.255 0 50 FDAA COc1ccccc1[C@@H]1CN(C(=O)CN2CCCCCC2=O)C[C@H]1C(=O)O 91306110 VGYSMKWHEOCJTO-JKSUJKDBSA-N 374.437 1.724 0 50 FDAA 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0 50 FDAA CN(C)S(=O)(=O)Nc1cccc(NC(=O)NCCCc2ncc[nH]2)c1 95517514 CKJGERXWBQNJPW-UHFFFAOYSA-N 366.447 1.382 0 50 FDAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2ccc(C(C)C)n(C)c2=O)on1 96165498 UEECUVFCPAHWSI-CJNGLKHVSA-N 359.426 1.793 0 50 FDAA COc1cc(CNC(=O)c2ccc(-n3cnnc3)nc2)cc(OC)c1OC 97657233 WLKALKBJPLMSBK-UHFFFAOYSA-N 369.381 1.618 0 50 FDAA O=C(c1ccncc1)N1CC[C@@]2(O)CCN(C(=O)C3CCCC3)C[C@H]2C1 91391441 URMTYUQBUFNPAO-PXNSSMCTSA-N 357.454 1.697 0 50 FDAA Cc1c(C(=O)N2CCc3[nH]cnc3[C@H]2c2ccccn2)cnc2ccnn12 97272355 AYPLFLRBFQBWOA-GOSISDBHSA-N 359.393 1.944 0 50 FDAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(N3CCCC3)cc2)CN1C 95530853 ZZCYKKWTTREFKO-MJGOQNOKSA-N 372.513 1.958 0 50 FDAA Cc1nc(C)c(C(=O)N2CC[C@@](O)(CN3CCOCC3)C(C)(C)C2)s1 91657176 GHSWWWOEVFODQR-GOSISDBHSA-N 367.515 1.695 0 50 FDAA O=C(NC[C@H]1CCc2ccccc2O1)c1cnc2c(O)cccn2c1=O 97076534 PKJKDAQGSDCSCL-CYBMUJFWSA-N 351.362 1.524 0 50 FDAA C[C@H]1Cc2ccccc2N1C(=O)Cn1ncc(N2CCOCC2)cc1=O 95373063 SXUMARPGSXPUDH-AWEZNQCLSA-N 354.410 1.058 0 50 FDAA Cn1nc(-c2nc(C3CCCC3)nn2[C@H]2CCS(=O)(=O)C2)ccc1=O 96162515 QWKZYOYPSMRLSC-LBPRGKRZSA-N 363.443 1.056 0 50 FDAA CN1CC[C@H](N2CC3(CCC2=O)CCN(c2ncnc4[nH]ccc24)CC3)C1 91574673 IPFRKZZYKSHLFZ-HNNXBMFYSA-N 368.485 1.871 0 50 FDAA CCCCNC(=O)Cn1ccn2nc(-c3ccc(C)cc3)c(CO)c2c1=O 263618871 VXDVRNGTECUXNR-UHFFFAOYSA-N 368.437 1.880 0 50 FDAA O=C(CCN1CC[C@H]2[C@H](C1)OCc1cnnn12)N1CCCc2ccccc21 299759688 QJWWGHKEHQNEQY-OALUTQOASA-N 367.453 1.793 0 50 FDAA COc1cccc(-n2cc(CNC(=O)[C@@H]3CCCCn4nnnc43)cn2)c1 299773393 GVLABDDNNXMNIC-MRXNPFEDSA-N 367.413 1.451 0 50 FDAA Cc1cc(C)n(CCC(=O)N[C@H]2CCCN(Cc3cccnc3)C2)c(=O)n1 299791031 BYUAYUHKDKDCGN-SFHVURJKSA-N 369.469 1.426 0 50 FDAA Cn1ncc(CN2CCn3nc(CNc4ncccn4)cc3C2)c1C1CC1 299791758 FMVYUMSOXHGHGI-UHFFFAOYSA-N 364.457 1.912 0 50 FDAA C[C@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1nc(-c2ccncc2)no1 670466065 FRNMZDIMQLQVJR-NSHDSACASA-N 362.353 1.598 0 50 FDAA O=C(O)C[C@@H]1CN(C(=O)/C=C/c2cc(Cl)c3c(c2)OCO3)CCO1 269035697 OFTNZAQUKHDKME-FMBMQGQPSA-N 353.758 1.784 0 50 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357.439 1.851 0 50 FDAA COCCNC(=O)c1sc2ncnc(NC[C@@H]3CCCO3)c2c1C 12217500 OSYVPCQANVLXFH-NSHDSACASA-N 350.444 1.967 0 50 FDAA COCC1CCN(Cc2cnc(S(C)(=O)=O)n2C[C@@H]2CCCO2)CC1 12441246 SQHKYRMMKRYVSH-INIZCTEOSA-N 371.503 1.324 0 50 FDAA Nc1nnc(SCC(=O)N2CCO[C@H](Cc3ccccc3)C2)s1 12595939 ADWQFZUJBYPHHJ-GFCCVEGCSA-N 350.469 1.683 0 50 FDAA COc1ccccc1CCN1CCC(CN(C)C(=O)Cn2cnnn2)CC1 12715050 WLMUZLSWIOKMGW-UHFFFAOYSA-N 372.473 1.095 0 50 FDAA CC[C@H](C)NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCOCC2)c1 16648338 UDGMVEIDHVVNRX-LBPRGKRZSA-N 372.512 1.958 0 50 FDAA CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccs2)no1 169755132 FADMRIKCPBOODZ-UHFFFAOYSA-N 368.396 1.376 0 50 FDAA COc1cccc(CC(=O)N[C@@H]2CCC[C@@H](NC(=O)c3cnccn3)C2)c1 1857683076 BBNGMYCORALIDD-HZPDHXFCSA-N 368.437 1.885 0 50 FDAA CC(C)[C@H]1CN2C[C@@H](NC(=O)c3cc(=O)n(-c4ccccc4)[nH]3)C[C@H]2CO1 1857720171 HTRUXBDOOZODEW-QILLFSRXSA-N 370.453 1.393 0 50 FDAA Cc1nc[nH]c1CC(=O)N1CC[C@@]23O[C@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857724392 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Cc1nc(O)[nH]c1C(=O)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 847397415 RALOHMHVXFSSAH-UHFFFAOYSA-N 368.397 1.432 0 50 FDAA Cc1nnc(COC2CN(C(=O)C[C@@H](O)c3ccc(Cl)cc3)C2)o1 818663582 WDAVQTFMAVQMOY-CQSZACIVSA-N 351.790 1.883 0 50 FDAA CC[C@H]1CN(C)CCN1C(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1 818971081 LMBMFWJIWLMGNN-INIZCTEOSA-N 367.515 1.720 0 50 FDAA CCOC(=O)Cc1nnc(NC(=O)[C@@H](CC)Sc2nncn2C)s1 2746207 AMFKMOLYLKHMPX-MRVPVSSYSA-N 370.460 1.282 0 50 FDAA O=C(c1cc(C2CC2)[nH]n1)N1CC[C@@H](O)[C@](Cc2ccccc2)(C(=O)O)C1 2100545301 NPZJEGOBOOKFSF-YLJYHZDGSA-N 369.421 1.808 0 50 FDAA Cc1ccn(-c2ccc(C(=O)N[C@@H]3C[C@H](Cn4ccnc4)C[C@H]3O)cc2)n1 2325785463 AGGXRDUJMYOHQR-KFKAGJAMSA-N 365.437 1.947 0 50 FDAA Cn1cc([C@@H](CNC(=O)c2ccc3nccnc3c2)N2CCCC2)nn1 2325796754 IZYIFQCKRAFZPK-QGZVFWFLSA-N 351.414 1.325 0 50 FDAA CC(=O)[C@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(C)cc1 971770 WKSKPENTFUXGCN-LBPRGKRZSA-N 372.450 1.850 0 50 FDAA N=C(N)NC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2583146 ZDDPAQOOCDZPCG-INIZCTEOSA-N 368.393 1.461 0 50 FDAA Cn1nnc([C@@H]2CN(S(=O)(=O)c3ccc4ccccc4c3)CCO2)n1 2356144093 JEBXKGDNFKKHHY-HNNXBMFYSA-N 359.411 1.126 0 50 FDAA COCCCNC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 2818368 NVAKLNPJPWMFDZ-UHFFFAOYSA-N 369.270 1.912 0 50 FDAA COc1ccc(CN2Cc3nnc(-c4cnccn4)n3[C@@H](C)C2=O)cc1 2356157062 COGADOTVMRQXFE-LBPRGKRZSA-N 350.382 1.847 0 50 FDAA Cc1nn(CC(=O)O)c(C)c1NC(=O)C(=O)N1c2ccccc2C[C@@H]1C 55183370 KMCSEMJKFYXEMK-JTQLQIEISA-N 356.382 1.501 0 50 FDAA CCS(=O)(=O)N1CCC[C@H](C(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)C1 106742416 BOMOZVHIWJJMPQ-ULQDDVLXSA-N 373.563 1.532 0 50 FDAA CCC[C@H](NC(=O)c1cc(N2C[C@H](C)O[C@@H](C)C2)ccn1)c1nnn[nH]1 248746319 FXLVXMAJJFLHPZ-OBJOEFQTSA-N 359.434 1.480 0 50 FDAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)NC(=O)NCc1ccco1 249738353 WVWHNSLWUDTPTK-YUELXQCFSA-N 363.414 1.412 0 50 FDAA O=C(c1cccc(=O)[nH]1)N1CCC[C@@H](c2n[nH]c(=O)n2-c2ccccc2)C1 67473060 ZRCDOBXMAUDPJW-CYBMUJFWSA-N 365.393 1.269 0 50 FDAA CCOc1ccc(Cl)cc1S(=O)(=O)NCCCN1CCOCC1 20051562 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1.994 0 50 FDAA CC(=O)N1CCc2cc(C(=O)N3CC[C@H](CN4CCOCC4)C3)ccc21 174200391 UDQMMDAZYABEFF-MRXNPFEDSA-N 357.454 1.390 0 50 FDAA O=C(O)[C@H]1CC12CCN(C(=O)CCn1c(O)nc(=O)c3ccccc31)CC2 262386726 DYYIPSRLCLSURO-CYBMUJFWSA-N 371.393 1.206 0 50 FDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)N1CCNCC1(C)C)CO2 71738800 LTPUZGHRRXFABD-HNNXBMFYSA-N 374.485 1.186 0 50 FDAA Cc1ccn(CC(=O)NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)c(=O)c1 284622554 PHTPAYQCKJKHOO-HNAYVOBHSA-N 357.458 1.090 0 50 FDAA O=C(c1csc(O)n1)N1CCOC[C@H]1c1ncn(Cc2ccccc2)n1 375968808 LGIRMCCTHJVATM-AWEZNQCLSA-N 371.422 1.702 0 50 FDAA CN1CCN(C(=O)c2cnn(C)c2C2CC2)C[C@H]1c1nc(C2CC2)no1 284714471 RVZBJTSGMJOMCG-AWEZNQCLSA-N 356.430 1.687 0 50 FDAA NC(=O)[C@H]1CCCN(CCCNC(=O)c2cnoc2-c2ccccc2)C1 216110695 DWAMUUCKEDLQIP-HNNXBMFYSA-N 356.426 1.659 0 50 FDAA CC1(C)C(=O)Nc2cc(C(=O)N3CCCC[C@@H]3CS(C)(=O)=O)ccc21 333965429 PYVYQSWKQPTSTD-CYBMUJFWSA-N 364.467 1.956 0 50 FDAA Cn1c(CCC(=O)N2CCC[C@]3(CC2)CNC(=O)O3)nc2cccnc21 72148550 ZKHGMMKPSGOVDB-SFHVURJKSA-N 357.414 1.392 0 50 FDAA O=C1NC[C@@]2(CCCN(C(=O)COCc3nc4ccc(F)cc4[nH]3)C2)O1 72141761 XCBNUWWMPYIBKO-QGZVFWFLSA-N 362.361 1.320 0 50 FDAA CCc1nnc(C)cc1C(=O)N1C[C@H](OC)C[C@H]1c1nc(C2CC2)n[nH]1 284918202 IJJVBRZHTMSALA-DOMZBBRYSA-N 356.430 1.945 0 50 FDAA CCOC(=O)N1CCC(NC(=O)c2cnc3c(c2)nc(N)n3CC)CC1 77408127 VZOPBERDGJKALQ-UHFFFAOYSA-N 360.418 1.384 0 50 FDAA Cn1cccc1C(=O)N1CC2(CCN(C(=O)C3CC3)CC2)C[C@H]1C(=O)O 72454501 BEAFWRWAHODBNG-HNNXBMFYSA-N 359.426 1.343 0 50 FDAA Cc1ncoc1C(=O)N1CCc2nc(N)nc(NC3CC=CC3)c2CC1 72430280 GLKPZFSEBQROKL-UHFFFAOYSA-N 354.414 1.727 0 50 FDAA COC(=O)[C@@H]1CCN2C(=O)N(c3ccc(OC(F)F)nc3)C(=O)[C@H]2C1 286120011 SKJCMVOLOOMUJN-PSASIEDQSA-N 355.297 1.403 0 50 FDAA COCCN1C[C@@H](C(=O)NCc2ccc(-n3ccnc3C)cc2)CCC1=O 15068183 ZZUVVMLIHXOQPB-KRWDZBQOSA-N 370.453 1.682 0 50 FDAA Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@H]1CC[C@H](O)CC1 245502989 CIOKQFBJRGIQFD-HDJSIYSDSA-N 369.487 1.233 0 50 FDAA Cc1ccc2oc(=O)n(CC(=O)N[C@@H]3CCOC[C@H]3OCC3CC3)c2c1 223566890 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O=C(CCn1ccc(=O)[nH]c1=O)N[C@H]1CCC[C@H]1Cc1ccc(F)cc1 218899296 RPWUFQCIYGGNLD-HOCLYGCPSA-N 359.401 1.593 0 50 FDAA CNC(=O)c1n[nH]c2c1CN(Cc1cc3c(cc1OC)OCCO3)CC2 216328507 LADGZDJTFZUYCG-UHFFFAOYSA-N 358.398 1.107 0 50 FDAA CN1C[C@]2(CCCN(C(=O)c3cnc(-c4cccnc4)nc3)CC2)OC1=O 72163295 NIGUVKBZILVPCZ-LJQANCHMSA-N 367.409 1.986 0 50 FDAA CCNc1ncc(C(=O)N2CCC(C(=O)O)(n3cc(C)cn3)CC2)cn1 72418778 MCLKVUAJWCWNBM-UHFFFAOYSA-N 358.402 1.129 0 50 FDAA CNC(=O)C[C@H]1C(=O)NCCN1Cc1cnc(-c2cccc(OC)c2)s1 214977576 MGRWGHIOUQMKOP-HNNXBMFYSA-N 374.466 1.255 0 50 FDAA Cc1cc(NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc(N2CCN(C)CC2)c1 242339256 ZGHAJGOXLGIAHF-INIZCTEOSA-N 371.485 1.632 0 50 FDAA O=C(O)CCc1cc2n(n1)CCN(C(=O)Cc1ccc3c(c1)OCO3)C2 72130939 YXXVNYZCAGFYRV-UHFFFAOYSA-N 357.366 1.214 0 50 FDAA O=S1(=O)CC[C@H](N2CCN(Cc3ccc(-c4ccn[nH]4)s3)CC2)C1 215825751 IYXQEZPVBBGPSA-ZDUSSCGKSA-N 366.512 1.443 0 50 FDAA CCn1c(=O)c(O)nc2cc(C(=O)N3CCC[C@H](CCC(=O)O)C3)ccc21 263205261 VULHTIVTFHOSLA-GFCCVEGCSA-N 373.409 1.839 0 50 FDAA O=C([C@@H]1NCCc2[nH]cnc21)N1Cc2cnn(Cc3ccc(F)cc3)c2C1 72473803 XZIAGZVOPIERII-GOSISDBHSA-N 366.400 1.523 0 50 FDAA COc1cc(CN2CCN(c3cccnc3)CC2)ccc1OCC(N)=O 216174234 XTKKCZGWFPCQIA-UHFFFAOYSA-N 356.426 1.277 0 50 FDAA CC[C@H]1CN(C(=O)c2cnc(C)[nH]c2=O)CCC(=O)N1Cc1ccccc1 71748684 XOFVHRFLHDFYRB-INIZCTEOSA-N 368.437 1.732 0 50 FDAA COCCN(Cc1cccc2ccccc12)C(=O)c1cn(CCN)nn1 77563954 CMRSZURMPIUTGG-UHFFFAOYSA-N 353.426 1.679 0 50 FDAA CCN(CCO)C(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cnn(C)c1 285339342 ZDCVSXXPXSUYSN-MOPGFXCFSA-N 356.470 1.477 0 50 FDAA C[C@@H](NC(=O)c1cc(=O)n(-c2ccccc2)[nH]1)c1cn2ncsc2n1 222573414 KDQHWYYLNQYWCN-SNVBAGLBSA-N 354.395 1.761 0 50 FDAA Cc1nc(C)c(C(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)s1 48985109 JMNXYBFQWLMSTC-UHFFFAOYSA-N 369.454 1.698 0 50 FDAA CC(C)(NC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1nn[nH]n1 461636966 UZVSIVQHHCEGMZ-AWEZNQCLSA-N 356.430 1.032 0 50 FDAA Cn1cc(N2CCN(C(=O)c3cnc(-c4ccncc4)s3)CC2=O)cn1 177829654 YQZVGCWPBJVMKX-UHFFFAOYSA-N 368.422 1.428 0 50 FDAA CCCc1cc(C(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)n(C)n1 82115700 JNIKECAKMRGYHG-UHFFFAOYSA-N 358.417 1.996 0 50 FDAA COc1ccc(Cn2nc(C)cc2NC(=O)N2CC[C@H](N)C2)cc1OC 426382685 LBKPUYWDPXFLOT-AWEZNQCLSA-N 359.430 1.822 0 50 FDAA CCOc1ccc(NC(=O)NCCNS(C)(=O)=O)cc1-n1cccc1 426668507 XJMYLYWJXCANBI-UHFFFAOYSA-N 366.443 1.547 0 50 FDAA CCN(CC)[C@@H]1CCN(Cc2cnc(S(C)(=O)=O)n2CCCOC)C1 20598920 VJEZYDXBDFDWJJ-OAHLLOKOSA-N 372.535 1.239 0 50 FDAA CN1CC(=O)N(CC(=O)NCc2cccc(Oc3ccccc3)c2)C1=O 42939833 SHXWFICHPWBAMR-UHFFFAOYSA-N 353.378 1.989 0 50 FDAA Cc1cc(=O)c2ccccc2n1CC(=O)NCc1ccc(C(=O)N(C)C)o1 223028342 FKDVOWXGEWMVLQ-UHFFFAOYSA-N 367.405 1.921 0 50 FDAA Cc1ccc(CN2CCN(C(=O)N[C@@H]3CN4CCC3CC4)CC2=O)cc1C 426501717 FJAQQQUEILEPMJ-LJQANCHMSA-N 370.497 1.751 0 50 FDAA Cc1ccc(CC(=O)N[C@@H]2CCN(Cc3cscn3)C[C@H]2O)cc1F 426402179 ZBNJYKGWBDJSKS-IAGOWNOFSA-N 363.458 1.885 0 50 FDAA O=C(CCn1ccccc1=O)N[C@H]1CN(C2CCOCC2)C[C@@H]1C1CC1 91725111 KYAOWEQDEGFTDT-MSOLQXFVSA-N 359.470 1.244 0 50 FDAA Cc1c[nH]ccc1=NCCNC(=O)N1CCC(N2CCSCC2)CC1 426527032 TTWYXHHZEHWNFB-UHFFFAOYSA-N 363.531 1.447 0 50 FDAA CCCc1nc(C(=O)N2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)cs1 95368454 DRUYBGFXVPJZJD-NSHDSACASA-N 365.455 1.633 0 50 FDAA Cn1ccnc1SCCNC(=O)c1cnc(-c2cccnc2)nc1O 91380976 RFMZJSLQEHCWHY-UHFFFAOYSA-N 356.411 1.500 0 50 FDAA COc1cccc2c1OC[C@@H](C(=O)NCc1nc(-c3ncccn3)no1)C2 95366770 VBLULXBGMMKUPU-LBPRGKRZSA-N 367.365 1.403 0 50 FDAA COc1cc2c(cc1OC)CN(C(=O)c1ccnc(-n3cnnc3)c1)CC2 97784925 ILUHQWAZJFSESD-UHFFFAOYSA-N 365.393 1.878 0 50 FDAA Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2c(C)noc2C)C3=O)[nH]n1 91657225 YSSYSGHLAMKGHX-UONOGXRCSA-N 357.414 1.586 0 50 FDAA Cc1ccc2c(c1)c(CNC(=O)Cn1ncc3ccccc3c1=O)nn2C 91644857 AWRGAGLPKNVRMS-UHFFFAOYSA-N 361.405 1.908 0 50 FDAA CC(C)c1nc(CN(C)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)no1 92081370 QCVVPXBJPKUPHA-UHFFFAOYSA-N 359.365 1.644 0 50 FDAA COc1cccc(-c2nc3c([nH]2)CCN(C(=O)[C@H](C)Cn2cncn2)C3)c1 96141068 VMPNDSXBWWDMQM-CYBMUJFWSA-N 366.425 1.898 0 50 FDAA Cn1c(Cn2cncn2)nnc1C1CCN(c2nc3ccccc3o2)CC1 91620816 IKVRCVZDACMPMN-UHFFFAOYSA-N 364.413 1.980 0 50 FDAA COc1cccc2c1CCN(CC(=O)NCC(C)(C)N1CCOCC1)C2 182669184 STJAPSSBPJEAEI-UHFFFAOYSA-N 361.486 1.280 0 50 FDAA O=C([C@@H]1C[C@H](O)CN1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 238099167 WORNLQCLHZIVKV-ULCPSODYSA-N 363.216 1.755 0 50 FDAA O=C(NCCN1CC[C@@H](c2ccccc2)C1)c1ccc(-n2cnnc2)nc1 97823523 ASGPETYEOHAWFE-GOSISDBHSA-N 362.437 1.882 0 50 FDAA Cn1c(Cn2cccn2)nnc1[C@H]1CCCN(CCn2cc(Cl)cn2)C1 95380449 YVFLBGCAYXEEIS-AWEZNQCLSA-N 374.880 1.789 0 50 FDAA CO[C@H](C)C(=O)N1CCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)CC1 91746806 NNQOTRQBNXUSBD-OAHLLOKOSA-N 360.458 1.551 0 50 FDAA CN(C)C(=O)c1cccc(CCN[C@H]2CCCC[C@H]2S(C)(=O)=O)c1 183023417 OSXMOOAVORJQGI-DLBZAZTESA-N 352.500 1.876 0 50 FDAA O=C(N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1nc(O)nc2ccccc12 253535842 SUHIHDMAVBPDIR-OZVIIMIRSA-N 350.378 1.972 0 50 FDAA Cc1nc(NCCc2ccc(S(N)(=O)=O)cc2)cc([C@H]2C[C@@H](N)C2)n1 252571988 YQXKDJWJHAKCMJ-OKILXGFUSA-N 361.471 1.292 0 50 FDAA O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)[C@H]1C[C@H](O)CN1 299746866 BLAUYXWUZDEYNH-RBUKOAKNSA-N 362.433 1.878 0 50 FDAA O=C(NC[C@H]1CCCN2CCCC[C@@H]12)C1CCN(c2ccc(O)nn2)CC1 252552017 ULHDWCGRINKQLP-SJORKVTESA-N 373.501 1.779 0 50 FDAA C[C@H](NC(=O)c1conc1-c1ccccc1)c1nnc2n1CCNCC2 67975732 ODZVMEHUOSDYOX-LBPRGKRZSA-N 352.398 1.570 0 50 FDAA CCC(CC)n1nc(C)cc1NC(=O)N1CCNC(=O)[C@H]1CC(=O)NC 299771834 YYWGFSIRWRSRSB-CYBMUJFWSA-N 364.450 1.021 0 50 FDAA CN(C)C[C@@H](O)CN1CCN(C(=O)Nc2ccc(Cl)c(F)c2)CC1 299759019 MOOORHROZSJGDA-CYBMUJFWSA-N 358.845 1.551 0 50 FDAA CC(C)c1noc(C2CCN(C(=O)[C@@H]3CCCN3S(C)(=O)=O)CC2)n1 299786840 NPRUFMSVKNJIHT-ZDUSSCGKSA-N 370.475 1.323 0 50 FDAA O=C1CCCCCN1CCC(=O)N1CCCN(Cc2cccnc2)CC1 299762918 WONGPUQOGNHJII-UHFFFAOYSA-N 358.486 1.909 0 50 FDAA CCC(=O)N1CCC2(CC1)CN(CCn1c(=O)oc3ccccc31)CCO2 822529360 FJGIVSAPQIAXBJ-UHFFFAOYSA-N 373.453 1.698 0 50 FDAA Cc1ccc(CC2(NC(=O)N3CCN(CCOCCO)CC3)CC2)cc1 584896433 KRKYVSQBCWRPIE-UHFFFAOYSA-N 361.486 1.406 0 50 FDAA C/C(=C\C(=O)N1CC(N2C[C@@H](c3nc(C)no3)CC2=O)C1)c1ccco1 864684901 WMGFHKXSZIUZLN-VKUYVZBCSA-N 356.382 1.601 0 50 FDAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N1CCc2c(cccc2C(N)=O)C1 1875314717 OBQXFJKJBDOVGD-NEPJUHHUSA-N 368.437 1.740 0 50 FDAA C=CC(=O)N1CCN(C(=O)[C@@H]2CCC[C@H](N=c3cncc[nH]3)C2)[C@@H](C)C1 1875380897 DHOYYWPSFQBDOP-XHSDSOJGSA-N 357.458 1.115 0 50 FDAA C=CC(=O)N1CCC(C(=O)N2CC[C@@](O)(Cc3ccc(F)cc3)C2)CC1 1875369377 KTKDDBGWJGGZDD-HXUWFJFHSA-N 360.429 1.756 0 50 FDAA CN1Cc2nncn2C[C@H]1c1nc(-c2ccc(Br)o2)no1 952893858 KGGXCNCHXSQHGT-ZETCQYMHSA-N 351.164 1.870 0 50 FDAA CC(C)(C)NC(=O)CN1CCN(C(=O)C2(N3CCCC3)CCCC2)CC1 952869831 MKMZCNOJJFXIKD-UHFFFAOYSA-N 364.534 1.454 0 50 FDAA Cc1cc(C(=O)N2CCC[C@@](O)(Cc3nncn3C)C2)c2n[nH]cc2c1 886095295 RAJNHZPQRZFPEN-GOSISDBHSA-N 354.414 1.210 0 50 FDAA CN(C)Cc1cc(O[C@H]2CCN(Cc3ccc(C(=O)N(C)C)[nH]3)C2)ccn1 886044957 QQNSTNZBRUCANY-SFHVURJKSA-N 371.485 1.826 0 50 FDAA Cc1nc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)ccc1C(=O)O 888096514 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O=c1c2ccccc2c(O)nn1CCNc1ncc(F)c(N2CCCC2)n1 1529146420 XDVRQGXBSAJGAO-UHFFFAOYSA-N 370.388 1.744 0 50 FDAA CCc1cc(N2Cc3nc(C)n(C)c(=O)c3C2)nc(N2CCCCC2)n1 1704345307 XGCDSGULQBENEG-UHFFFAOYSA-N 354.458 1.952 0 50 FDAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1cccc3ncccc13)C2 1704314135 PFERHTXKPINBNR-KBPBESRZSA-N 355.394 1.092 0 50 FDAA Cc1n[nH]c(C)c1CC(=O)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 210057767 CEEMQZXWPXDRAR-ZBFHGGJFSA-N 357.410 1.675 0 50 FDAA Cc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(S(=O)(=O)N(C)C)C3)cc1C 222117088 SPBANDRHGKRCKN-WBVHZDCISA-N 365.499 1.646 0 50 FDAA Cn1ccnc1[C@@H](NC(=O)c1cc(N2CCOCC2)no1)c1ccccc1 1772812167 CWJHTTBSGSVDEC-KRWDZBQOSA-N 367.409 1.764 0 50 FDAA C/C=C/Cn1c(=O)c2c(nc3n2CCN3c2cccc(C)c2)n(C)c1=O 12343347 DMDWIEWTYCUBFQ-SNAWJCMRSA-N 351.410 1.933 0 50 FDAA CN(C)S(=O)(=O)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 12460135 WQOQQOQKVKPDFJ-KRWDZBQOSA-N 352.504 1.079 0 50 FDAA O=C(CCc1ccccc1)N1CCN(c2ccc(-n3cccn3)nn2)CC1 13008852 OVHCRKGEPQXOEZ-UHFFFAOYSA-N 362.437 1.944 0 50 FDAA O=C(N[C@H]1C[C@H](Cn2cccn2)C[C@@H]1O)c1ccc(-c2cnc[nH]2)cc1 1857527267 IIJYCGAWJWQMRF-OWQGQXMQSA-N 351.410 1.843 0 50 FDAA CN(C)c1ncc(C(=O)N[C@H]2C[C@H](Cn3cccn3)C[C@@H]2O)cc1Cl 1857531206 LFJJEXLJUIHDON-CQDKDKBSSA-N 363.849 1.567 0 50 FDAA Cn1cc(Cl)c(C(=O)N2CC[C@H]3[C@@H]2CC(=O)N3CCc2cccnc2)n1 1857685915 ZSBDOKDDGCWKCT-GJZGRUSLSA-N 373.844 1.527 0 50 FDAA Cc1nsnc1C(=O)N1CC[C@@]2(C1)Cn1c(nnc1C1CCC1)CO2 1857702209 DUAWAPIVBIVOOE-MRXNPFEDSA-N 360.443 1.521 0 50 FDAA Cc1ccc(O)c(CNC[C@@H]2CC(=O)N(C)[C@H]2c2c(C)nn(C)c2C)n1 328630868 QIRNJIXISXLZIA-IFXJQAMLSA-N 357.458 1.755 0 50 FDAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cc3c(nc1OC)CCC3)C2 247880740 QBLSRJQKTNHWBB-CABCVRRESA-N 373.453 1.288 0 50 FDAA O=C(C[S@@](=O)Cc1nc(O)cc(C(F)(F)F)n1)NC1CCCCC1 155337167 MMVIFUCWCDCQDH-XMMPIXPASA-N 365.377 1.899 0 50 FDAA O=C1NCCN(C(=O)Cc2cn3ccccc3n2)[C@H]1c1ccccc1F 369965548 YNUITJDTRNBGAF-SFHVURJKSA-N 352.369 1.716 0 50 FDAA Cc1cccn2c(CC(=O)N3CCC[C@@]34CCCN(CCO)C4=O)cnc12 2356136860 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355.442 1.799 0 50 FDAA COc1ccc2[nH]cc(CCNC(=O)c3cc4c(=O)[nH]c(C)cn4n3)c2c1 206645657 JGRFUOSXWWAHEO-UHFFFAOYSA-N 365.393 1.793 0 50 FDAA O=C(N[C@H]1C[C@@H](Cn2cccn2)C[C@@H]1O)c1ccc(-n2cnnc2)cc1 1857527225 LZMBQLOAMIZFTM-COXVUDFISA-N 352.398 1.033 0 50 FDAA O=C(c1cc(-n2cnnn2)n[nH]1)N1CCC(Cc2ccc(F)cc2)CC1 1857674467 JTCPPGBJABQMHN-UHFFFAOYSA-N 355.377 1.619 0 50 FDAA N=c1[nH]c(CNC(=O)[C@@H]2CC(=O)N(c3nc4ccccc4s3)C2)cs1 1857723676 QJOBSCHQHHPWOB-SECBINFHSA-N 373.463 1.835 0 50 FDAA O=C([C@H]1CC[C@H]2OCCN[C@@H]2C1)N1CCC(Cc2ccc(O)nc2)CC1 1857733236 AVTCVLUVFBFAQW-RCCFBDPRSA-N 359.470 1.725 0 50 FDAA COCCN1C[C@@H]2CC[C@H]1CN(C(=O)Cn1nc(C)c(C(C)=O)c1C)C2 212714391 OAIZARAMRDFIOP-IRXDYDNUSA-N 362.474 1.272 0 50 FDAA CCOC(=O)[C@@H]1[C@@H](C)C=C[C@H]2CN(C(=O)Cn3nc4ccccc4n3)C[C@H]21 1875246713 KQAQYBRDIGHYDZ-XTDOFWJNSA-N 368.437 1.891 0 50 FDAA NS(=O)(=O)c1ccc(N2CCN(C(=O)NCc3ccccc3)CC2)cc1 123509791 FWMHZPJTAMESRP-UHFFFAOYSA-N 374.466 1.366 0 50 FDAA O=C(O)CCN1CCN(C(=O)COc2ccc(Br)cc2)CC1 238162428 SBXHSPZAWYYWJY-UHFFFAOYSA-N 371.231 1.447 0 50 FDAA COc1cccc2c1OC[C@@]1(C(=O)O)CN(C(=O)CCn3cccn3)C[C@@H]21 248248346 NMKNXEZXHXFFDI-LIRRHRJNSA-N 371.393 1.371 0 50 FDAA C=CC(=O)N1CCC(C(=O)N2CC(=O)N[C@H](C)C2)(c2ccccc2)CC1 848195075 RNAPDGSOSYRCHC-OAHLLOKOSA-N 355.438 1.080 0 50 FDAA Cc1ccc2c(c1)cc(C(=O)N1C[C@H]3COC[C@@H]1CN(CC(=O)O)C3)n2C 1704311688 QDRYRZRMIRIWGE-HOCLYGCPSA-N 371.437 1.344 0 50 FDAA CC(C)c1cc(CNC(=O)c2cn3c(n2)CCN([C@H]2CCOC2)CC3)no1 2100483350 NENSMWFNBVFCOW-HNNXBMFYSA-N 373.457 1.572 0 50 FDAA Cn1nccc1-c1n[nH]cc1C(=O)NCCN1CCc2ccccc2C1 2325771121 YJRZDAXNMXGWAN-UHFFFAOYSA-N 350.426 1.598 0 50 FDAA COC1(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)CC(N)C1 2325800829 HYRPPBMDELJROO-OFKYTCTHSA-N 351.834 1.458 0 50 FDAA O=C(NC[C@H]1CCCN1Cc1ccccn1)c1ccn2c(O)nnc2c1 2325821122 FLXSEGJNVHGAEV-OAHLLOKOSA-N 352.398 1.224 0 50 FDAA CC(C)CO[C@@H](C)C(=O)N(C)[C@H]1CCN(C(=O)c2nnn3ccccc23)C1 2325827901 UBPKBPNQNAMNEQ-GJZGRUSLSA-N 373.457 1.463 0 50 FDAA 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1.899 0 50 FDAA CCc1noc(C)c1C(=O)N1CCOC[C@H]1c1ncn(CC(F)(F)F)n1 329094971 XSHVBARBVIRBLO-NSHDSACASA-N 373.335 1.913 0 50 FDAA CN(C)S(=O)(=O)c1ccc(NCc2n[nH]c(=O)c3ccccc23)cc1 9704094 OOHRXRAQDUFKRQ-UHFFFAOYSA-N 358.423 1.786 0 50 FDAA CCN1CCN(C(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)CC1 67613276 CUZGROIYTOZHCT-ZDUSSCGKSA-N 357.451 1.144 0 50 FDAA Cn1c(N2CC[C@]3(C2)OCc2ccccc23)nc2c1c(O)nc(=O)n2C 329922717 GPCDDBKWTXEEBM-GOSISDBHSA-N 353.382 1.008 0 50 FDAA O=C(NCCOc1ccc2c(c1)OCO2)c1cnc2ccncc2c1O 253630219 RXVDBUKKGSUQCG-UHFFFAOYSA-N 353.334 1.873 0 50 FDAA COc1cccc(CNC(=O)Cn2cc(I)cn2)c1 4753342 TUBMALRHXXXKPQ-UHFFFAOYSA-N 371.178 1.813 0 50 FDAA COc1ccccc1N1CCN(C(=O)Cn2c(C)cc(C)nc2=O)[C@@H](C)C1 72480887 PDSMGWOJFFEXEM-INIZCTEOSA-N 370.453 1.606 0 50 FDAA Cc1cc2nc(C(=O)N3CCC[C@H](C(=O)c4nccn4C)C3)cc(C)n2n1 77354221 LXICDQNJWPSZSQ-AWEZNQCLSA-N 366.425 1.815 0 50 FDAA COC1(CO)CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2c2ncccn2)CC1 365701313 LDBKTLUKXMAZRK-ZACQAIPSSA-N 374.485 1.614 0 50 FDAA O=C1CC2(CCN(C(=O)N[C@@H]3CCN(c4ccccc4F)C3)CC2)CN1 368177081 FIXZISHDXJTDSR-CQSZACIVSA-N 360.433 1.716 0 50 FDAA COc1cc(CN2CCCN(c3ncccn3)CC2)ccc1OCC(N)=O 216056843 KROGXQFBZIURNN-UHFFFAOYSA-N 371.441 1.062 0 50 FDAA CC(C)(C)n1ncc2c(O)nc(NCc3ccnc(-n4ccnc4)c3)nc21 368677594 ZLSVBTLIAOMKNF-UHFFFAOYSA-N 364.413 2.480 0 50 FDAA O=C(c1cnccn1)N1CCN(CCCc2ccccc2)[C@@H](CCO)C1 72475544 RIAFSOILAQEMMV-SFHVURJKSA-N 354.454 1.618 0 50 FDAA CN(Cc1ccno1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CC(C)(C)C)C(=O)[C@H]13)O2 77339864 JWWGLYUXZNIPBX-YGTYGHESSA-N 359.426 1.461 0 50 FDAA Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CCN)C2)s1 72426771 AYVDDNMZXGSBDF-QWHCGFSZSA-N 357.501 1.017 0 50 FDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)c2c(Cl)cnn2C)cc1 215584202 LUIFRVVCYYTTEF-UHFFFAOYSA-N 370.862 1.480 0 50 FDAA O=C1CCc2cc(NCc3nnnn3CC3CCOCC3)c(F)cc2N1 373882860 PGVMIEQYXJUOMT-UHFFFAOYSA-N 360.393 1.736 0 50 FDAA Cc1onc(-c2cccnc2)c1C(=O)N1CCC[C@H](N2CCNC2=O)C1 375727352 PCOGKZNBGUQONS-AWEZNQCLSA-N 355.398 1.675 0 50 FDAA O[C@]1(CN2CCC(c3nc(-c4ccccc4)no3)CC2)CNCCOC1 77437601 GDFFTVDWUIVLSC-IBGZPJMESA-N 358.442 1.267 0 50 FDAA O=C(Cc1cccs1)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 214995136 PSURELINRUSENT-UHFFFAOYSA-N 371.528 1.556 0 50 FDAA O=C(NCc1noc(-c2ccc3c(c2)OCO3)n1)c1n[nH]c2c1CCC2 215000941 VAPDMIPFJXFNKA-UHFFFAOYSA-N 353.338 1.607 0 50 FDAA O=C(O)c1ccnc(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)c1 263383177 DBKSEEGZSNYATL-INIZCTEOSA-N 353.378 1.873 0 50 FDAA Cc1cnc(C)c(N2CCN(C(=O)CC3=CSC4=NCCN34)CC2)n1 221281308 IZMRXAUCNCWHBR-UHFFFAOYSA-N 358.471 1.392 0 50 FDAA CN(CCO)[C@@H]1c2ccccc2C2(CCN(C(=O)c3ccon3)CC2)[C@H]1O 19145237 KJMGQAVMBIYXMS-MSOLQXFVSA-N 371.437 1.188 0 50 FDAA O=C(CNC(=O)NC[C@H]1CC(=O)N(C2CCCC2)C1)Nc1nccs1 426394601 MPXXHIZOHQNLHS-LLVKDONJSA-N 365.459 1.172 0 50 FDAA Cc1ccc(C(=O)O)c(N2CCn3nc(CNc4ncccn4)cc3C2)n1 426359954 PJUSDCGPBJTOCZ-UHFFFAOYSA-N 365.397 1.707 0 50 FDAA CN1CCC(N2CCC[C@H](C(=O)NCc3cnc4ccccn34)C2)CC1 20455439 WSVYCCHENZAMAK-INIZCTEOSA-N 355.486 1.757 0 50 FDAA COc1ccc2c(c1)c(C(=O)N1CC[C@]3(CN(C)C(=O)CO3)C1)c(C)n2C 426612209 BSRUDCYDIHGQNX-FQEVSTJZSA-N 371.437 1.569 0 50 FDAA CCCN(C(=O)NCCSc1nnnn1C)C1Cc2ccccc2C1 426533766 INAXZDOJIZSUOX-UHFFFAOYSA-N 360.487 1.891 0 50 FDAA COc1ccc(-c2ccc(C(=O)N[C@H]3COC[C@@H]3N3CCCC3)cc2)nn1 426404180 GJRRMURKFXLJCN-ROUUACIJSA-N 368.437 1.745 0 50 FDAA CS(=O)(=O)N1CCC[C@H]1C(=O)NOCc1ccc(C(F)(F)F)cc1 178992058 HOZHDYHSBRWKNB-LBPRGKRZSA-N 366.361 1.677 0 50 FDAA CC(=O)N1CCCn2nc(CNC(=O)CCc3cc(Cl)no3)cc2C1 82107104 HIEMYJZAOLMXPB-UHFFFAOYSA-N 365.821 1.526 0 50 FDAA Cc1nc(N(C)C)nc(-c2cccc(C(=O)NCc3nc(O)n[nH]3)c2)c1C 426436794 VGNYKKRPOICCBL-UHFFFAOYSA-N 367.413 1.580 0 50 FDAA CNC(=O)[C@H]1CCCN1C(=O)c1cnc(CSc2ccccc2)nc1O 91649924 CPHURYYLUXLFAY-CQSZACIVSA-N 372.450 1.825 0 50 FDAA CNc1cc(C(=O)N2CCn3nc(CCC(=O)NC4CC4)cc3C2)ccn1 91620586 PUYLJPKUCFRROY-UHFFFAOYSA-N 368.441 1.187 0 50 FDAA CCCCN1CCc2[nH]cnc2C12CCN(c1cc(OC)nc(N)n1)CC2 91914954 GLTAFZRZNOOIHH-UHFFFAOYSA-N 371.489 1.944 0 50 FDAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCc1cccs1)C2 91951499 HOYCPXHOBNCTEW-UONOGXRCSA-N 371.528 1.410 0 50 FDAA CCOc1cc(C(=O)NC[C@H]2CCCC[C@H]2O)ccc1OCC(=O)O 268935827 GYJVJIOTVQOXCN-ZIAGYGMSSA-N 351.399 1.830 0 50 FDAA O=C(c1ccc2cccc(F)c2n1)N1CCN(CCn2cncn2)CC1 91664233 FDEOEHLELBVDOJ-UHFFFAOYSA-N 354.389 1.423 0 50 FDAA Cn1c(=O)n(C)c2cc(CNC(=O)c3ccccc3-n3cnnc3)ccc21 426537720 OUYLNBYWLWNTOY-UHFFFAOYSA-N 362.393 1.388 0 50 FDAA Cn1cc(C(=O)NCC2CCN(C(=O)[C@H]3CCC(F)(F)C3)CC2)cn1 331661270 MPKSWJJLVCHYHJ-ZDUSSCGKSA-N 354.401 1.824 0 50 FDAA CNC(=O)c1noc2c1CN(C(=O)[C@@H]1CC(=O)Nc3ccc(F)cc31)CC2 92077062 JGECZPNYNYLBAH-LLVKDONJSA-N 372.356 1.184 0 50 FDAA CC(C)=CCN1C[C@@H]2CN(C(=O)c3ccc(CO)cc3)C[C@]2(C(=O)O)C1 91594923 WOBRRNHTXPXHHR-YLJYHZDGSA-N 358.438 1.604 0 50 FDAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)N(C(=O)CSCC1CC1)C2 91444935 OZZGIMLKELBYSU-LSDHHAIUSA-N 360.483 1.683 0 50 FDAA O=C(Nc1cccnc1)c1ccc(S(=O)(=O)NCc2ccon2)cc1 91380959 TVPKUFYJLYHVQY-UHFFFAOYSA-N 358.379 1.800 0 50 FDAA 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CCCC[C@@H]1C(=O)N(C)CCN1C(=O)Nc1cccc(-n2cnnn2)c1 299796788 SCMKAVPUSRVMAC-OAHLLOKOSA-N 357.418 1.527 0 50 FDAA CN(C)c1ccc(CCC(=O)N2CC[C@@H]3OCc4cnnn4[C@H]3C2)cc1 299799429 SFGNLMJDIZXVRC-ROUUACIJSA-N 355.442 1.649 0 50 FDAA CCc1c(-c2cccc(C(=O)NC3CCN(CC(N)=O)CC3)c2)cnn1C 299779328 QXRKMUYJJZHMFJ-UHFFFAOYSA-N 369.469 1.329 0 50 FDAA COCCc1nc(-c2cnc3ccccn3c2=O)n(CC(F)(F)F)n1 670456196 KZFGMOOWXPRTQF-UHFFFAOYSA-N 353.304 1.704 0 50 FDAA C[C@@H]1C[C@@H]1C(=O)N[C@H]1CN(c2ncnn3cccc23)CC12CCOCC2 1875405124 TXONMASPSFGPAA-YCPHGPKFSA-N 355.442 1.487 0 50 FDAA CC(C)(C(=O)N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)n1ccc(C2CC2)n1 1875401403 XHZQHSZFZBXYRS-KBRIMQKVSA-N 357.458 1.648 0 50 FDAA CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)[C@H]2C[C@@H]2C)CC2(CC2)C1)n1cnnc1 1875406662 JJJXSFVFWCCDGZ-VGWMRTNUSA-N 359.474 1.629 0 50 FDAA Cn1nc(O)cc1C(=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 1875292726 QXCAYMSDSIUMTR-UHFFFAOYSA-N 368.437 1.563 0 50 FDAA C=CC(=O)Nc1cccc(C(=O)N[C@H]2COc3ccccc3NC2=O)c1 1875371946 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1.587 0 50 FDAA Cc1nc(C(=O)N2CCC3(CC2)COC3)nc(N2CC[C@@H](N(C)C)C2)c1C 1875299976 FKXGNHQEZPRVBU-MRXNPFEDSA-N 373.501 1.486 0 50 FDAA Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3cn(C(F)(F)CO)nn3)C2)c1 1875283696 AQLVYFVPKRRKFP-HNNXBMFYSA-N 372.322 1.978 0 50 FDAA O=C(CCNC(=O)N1CC[C@@](O)(C(F)F)C1)N1CCc2sccc2C1 1875265848 HWULJGBKQMIMTI-INIZCTEOSA-N 373.425 1.434 0 50 FDAA O=S(=O)(C1C[C@H]2[C@H](C1)C2(F)F)N1CCC(N2CCOCC2)CC1 1875290508 MUSOWJJBTJWCIU-KBPBESRZSA-N 350.431 1.157 0 50 FDAA Cc1cc(C(=O)N2CCN(Cc3cnnn3C)C[C@@H]2C)c2n[nH]cc2c1 1875338584 CRNGFRPPWOKMAN-ZDUSSCGKSA-N 353.430 1.346 0 50 FDAA O=C(Nc1cn(CC(F)(F)F)nc1C1CC1)N1CCN2C(=O)OC[C@@H]2C1 1875318350 GSCDBANVRLBUMH-JTQLQIEISA-N 373.335 1.991 0 50 FDAA CO[C@H]1CCN([C@H]2CCC[C@H]2N(C)C(=O)c2ccc3nc(O)[nH]c3n2)C1 886082480 FHVQKRBAMQTNNY-GLQYFDAESA-N 359.430 1.377 0 50 FDAA CC(=O)NC[C@@H]1CN(c2nc3ccccc3nc2N2CCCCC2)CCO1 270790954 RJGJXPBWERPIDD-MRXNPFEDSA-N 369.469 1.961 0 50 FDAA CC[C@@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C)[C@@H](O)C(F)(F)F 270810873 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CCCc1nc2ccccc2n1[C@H](CC)C(=O)N1C[C@H]2[C@H](C1)C2(CO)CO 1772710225 SVTAVRKESCKWAV-YQQAZPJKSA-N 371.481 1.999 0 50 FDAA CC1=NN(Cc2ccccc2F)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C 5148009 DGGMUKMOKPVZBL-NSHDSACASA-N 370.388 1.530 0 50 FDAA COC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 12383540 AZFLDCVTLVUSFH-LBPRGKRZSA-N 374.890 1.892 0 50 FDAA O=C(NCc1ccc(N2CCCC2=O)cc1)c1cn(C[C@H]2CCCO2)nn1 12712797 FSEAAAWLQCJYSS-MRXNPFEDSA-N 369.425 1.514 0 50 FDAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(F)cc1 13154637 VUPGBLWVWFMDOK-JEWRLFTDSA-N 366.385 1.992 0 50 FDAA Cc1c(C(=O)N[C@@H]2CCC[C@@H](NC(=O)CCc3cnccn3)C2)cnn1C 1857689491 QXHHDEFFLBZAEQ-HUUCEWRRSA-N 370.457 1.309 0 50 FDAA c1cnc2c(CN3CCO[C@]4(CCN(c5cnccn5)C4)C3)cnn2c1 1857703871 UNQBLGXIXDGSDT-GOSISDBHSA-N 351.414 1.001 0 50 FDAA O=C1CCOC2(CCN(CC(=O)Nc3ccc(Cl)cn3)CC2)CN1 1857708143 HRJHLCXJFLSQAN-UHFFFAOYSA-N 352.822 1.045 0 50 FDAA Cc1cc(C[C@@H]2CN(C(=O)c3cnc(-c4cccnc4)nc3)C[C@H]2O)on1 1857736198 ZOJWEENELFPDLJ-RHSMWYFYSA-N 365.393 1.511 0 50 FDAA O=C1CCCN1c1ccc(S(=O)(=O)NC[C@@H]2CCn3ccnc3C2)cc1 328619116 FMEFOHYEWKRYHE-CQSZACIVSA-N 374.466 1.551 0 50 FDAA CN(C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1)C(=O)[C@@H]1CCCO1 329921196 HMHJMJGKJUYNJZ-IHRRRGAJSA-N 351.426 1.097 0 50 FDAA COc1cc(OC)nc(N2C[C@@H]3OC(=O)N(CCc4ccccn4)[C@@H]3C2)n1 247870337 CWVWJENENWCNHW-KGLIPLIRSA-N 371.397 1.141 0 50 FDAA Cc1noc(C)c1COc1ccc(CC(=O)N2CCO[C@@H](C(=O)O)C2)cc1 262071518 ITKYGGAOIZEBON-QGZVFWFLSA-N 374.393 1.725 0 50 FDAA CN(C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)C1Cc2ccccc2C1 264838832 ZEZFPBLDLAGDOH-CQSZACIVSA-N 355.360 1.958 0 50 FDAA Cn1ccnc1CN(C(=O)[C@H]1CSCCS1)[C@H]1CC12CCNCC2 821798371 ARRQPRWLFUUXNJ-KGLIPLIRSA-N 366.556 1.739 0 50 FDAA Cc1ncn(CCNC(=O)c2ccc3nnc(-c4cccn4C)n3c2)c1C 2100477892 HPALXJAIXYYCGU-UHFFFAOYSA-N 363.425 1.978 0 50 FDAA COCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1 1827416 UMRGHGAXWBFUTG-UHFFFAOYSA-N 371.441 1.505 0 50 FDAA biogenic Cc1nc2cc(O)nn2c(C)c1CC(=O)N1Cc2cnc(C3CC3)nc2C1 2325810542 QOORAMSBRZARRV-UHFFFAOYSA-N 364.409 1.804 0 50 FDAA O=C(O)CCCNS(=O)(=O)c1ccc(I)cc1 4821449 VKVKYEWVTUYKDD-UHFFFAOYSA-N 369.180 1.434 0 50 FDAA CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C1 4855758 SJZUTUZBIFCZEM-CQSZACIVSA-N 369.462 1.146 0 50 FDAA C/C=C/CN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(C/C=C/C)c(=O)n1C 10337152 INEPTYIPHOUUMH-GWRANMPSSA-N 356.430 1.806 0 50 FDAA Cc1nc2cc(OCc3nc(C(=O)N[C@@H](C)C(N)=O)co3)ccc2s1 67879350 ISVUCKXZVMYSJO-QMMMGPOBSA-N 360.395 1.775 0 50 FDAA COC(=O)c1cc2n(n1)CCCN(C(=O)c1sccc1NC(C)=O)C2 65385887 NKFWYQOFKPHNKG-UHFFFAOYSA-N 362.411 1.736 0 50 FDAA C[C@@H](C(=O)N[C@@H]1C=C[C@H](CO)C1)n1c(S)nnc1-c1cccs1 151806527 VJUBZEMCUYSZKA-GARJFASQSA-N 350.469 1.910 0 50 FDAA CCCn1ncc(C(=O)N2CCn3nc(C(=O)NC4CC4)cc3C2)c1C 65370537 CEXWMRUPEKWPRJ-UHFFFAOYSA-N 356.430 1.346 0 50 FDAA CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H](C)c1c(C)noc1C 152025284 KRNCEFDEWWRHCI-RISCZKNCSA-N 357.476 1.715 0 50 FDAA Cc1nonc1C(=O)N1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 67724608 KWIBGNHGMFFCKT-UHFFFAOYSA-N 368.397 1.331 0 50 FDAA Cn1ccnc1CC1CCN(C(=O)NCc2nnc3ccccn23)CC1 123165715 RPIAWQLHLAEPNZ-UHFFFAOYSA-N 353.430 1.627 0 50 FDAA CCc1c(C(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)cnn1-c1ccccn1 329850133 SCMQKFGMMIZGBY-JQHSSLGASA-N 370.453 1.832 0 50 FDAA CC(=O)NCCCC(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 71552160 ZFNDJHIQFTWCLL-CEWLAPEOSA-N 355.482 1.992 0 50 FDAA O=C(Cc1ccc(F)cc1)NC[C@@H]1CCN(C(=O)c2ccccn2)C[C@H]1O 72437920 PNJZXWITVGTWOR-MAUKXSAKSA-N 371.412 1.403 0 50 FDAA Cc1ccccc1-c1ncc(CN2C[C@H]3C(=O)NC[C@@]3(C(=O)O)C2)s1 72458930 GSZRXBNWZIHYFI-KBXCAEBGSA-N 357.435 1.751 0 50 FDAA COc1cc(OC)cc(N2CC[C@H](NC(=O)c3cccc(C(N)=O)c3)C2)c1 363332492 YSXZJLYRWWXLBJ-HNNXBMFYSA-N 369.421 1.811 0 50 FDAA CCC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 71575314 GFKOPTWIIMXOMU-MRXNPFEDSA-N 358.486 1.811 0 50 FDAA O=C(N[C@@H](C(=O)O)c1ccc2c(c1)CCO2)[C@H]1COc2ccccc2O1 262990897 KCVGYXYFHSZARU-IAGOWNOFSA-N 355.346 1.703 0 50 FDAA Cn1nnc2cc(C(=O)N3C[C@@H](C(=O)O)[C@H](c4ccccc4)C3)ccc21 262964550 SAVIOBUXUFWPOL-LSDHHAIUSA-N 350.378 1.909 0 50 FDAA CCN1CCN(C2CCN(C(=O)c3cccc(-n4cnnn4)c3)CC2)C1=O 370634616 LBUNQIVZQRVWKB-UHFFFAOYSA-N 369.429 1.024 0 50 FDAA Nc1nc2c(c(N3CCC[C@H](OCc4ccccc4)C3)n1)CCNCC2 72409156 UWLABXRVIBWSAX-INIZCTEOSA-N 353.470 1.933 0 50 FDAA COC1(C(=O)N2CCC[C@@H](Cc3nnc4ccccn34)C2)CCOCC1 375312250 AEUACODXCCGMCW-HNNXBMFYSA-N 358.442 1.706 0 50 FDAA O=C(CN1CCCCC1)N1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1 72134265 FRINXKGMVGIGFM-UHFFFAOYSA-N 353.426 1.203 0 50 FDAA Nc1nnc(SCC(=O)NC[C@H]2CCCN(c3ncccn3)C2)s1 214981870 ZUKWLEHNCBQHPG-SNVBAGLBSA-N 365.488 1.035 0 50 FDAA CN(CCO)Cc1cc2n(n1)CCCN(C(=O)c1cccc3ccnn13)C2 72480616 OPDXZFGPUPOXTB-UHFFFAOYSA-N 368.441 1.001 0 50 FDAA CN(C)c1ccc(C(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)cn1 219604539 SAYDKQSDXAOARM-IAGOWNOFSA-N 356.426 1.647 0 50 FDAA Cc1ccn2cc(CNS(=O)(=O)c3c(C)nn(C)c3Cl)nc2c1 79911549 VEKFNWYZUKXRLX-UHFFFAOYSA-N 353.835 1.817 0 50 FDAA COCCCn1cnnc1[C@H](C)NC(=O)c1cc(C)nc2onc(C)c12 216089839 NOBDIJIEMIFNNV-LBPRGKRZSA-N 358.402 1.959 0 50 FDAA CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(C(=O)c1cc(C)c4c(O)nc(O)nc4n1)C[C@@H]3C2 288488635 PRGMBQCFZOCELE-ZGAQPHEGSA-N 356.382 1.240 0 50 FDAA COCC(=O)N1CCN(C)C[C@H]1C(=O)NCC1(c2ccccc2)CCCC1 221345940 SQUKRJMDJGAPOW-SFHVURJKSA-N 373.497 1.404 0 50 FDAA O=C(O)COCC(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CCC2 17075239 GWJUPVAUFRSVRO-UHFFFAOYSA-N 366.439 1.949 0 50 FDAA O=C(c1cn(CCN2CCOCC2)nn1)N1CCCC[C@H]1c1ccccn1 20293988 UATOUNHXZREZPG-SFHVURJKSA-N 370.457 1.373 0 50 FDAA C[C@@H](C(=O)NCc1nnnn1-c1ccccc1)n1c(=O)oc2ccccc21 426429819 OLPTUHPJEIPIDZ-LBPRGKRZSA-N 364.365 1.448 0 50 FDAA Cc1nc([C@@H]2CCCN(C(=O)Nc3cc(F)c4c(c3)NC(=O)CO4)C2)n[nH]1 426493894 BVKCISMCBXWXNO-SNVBAGLBSA-N 374.376 1.995 0 50 FDAA CNC(=O)C[C@@H](C)N(C)C(=O)c1ccc(-c2cc(C(=O)NC)ccn2)cc1 426614989 BJLYQMMOEVNQRU-CYBMUJFWSA-N 368.437 1.705 0 50 FDAA O=C(O)[C@@H]1CN(C(=O)CN2CCCCCC2)C[C@H]1c1ccc2c(c1)OCO2 92065989 BGHJNHQXLYZWPP-JKSUJKDBSA-N 374.437 1.918 0 50 FDAA CN1CCc2n[nH]c(C(=O)NC3CCN(C4CCSCC4)CC3)c2C1 97766830 KRAYKTZTYJKKTI-UHFFFAOYSA-N 363.531 1.487 0 50 FDAA CCCc1cc(N2CCC(N[C@@H]3CCS(=O)(=O)C3)CC2)nc(C)n1 95523290 NCHWXHFPYMXNEL-MRXNPFEDSA-N 352.504 1.483 0 50 FDAA CC(C)NC(=O)Nc1ccc(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C)cc1 96162805 SMFWIXVZHVVAPT-UHFFFAOYSA-N 356.386 1.157 0 50 FDAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)NCCN1CCCC[C@H]1CO 426574875 XWRTXLBWJMHIOG-AWEZNQCLSA-N 363.437 1.690 0 50 FDAA COc1ccc([C@@H]2CN(C(=O)CCn3ccnc3C)C[C@H]2NC(C)=O)cc1 95500592 VZBYXPJSSSQWLA-RBUKOAKNSA-N 370.453 1.721 0 50 FDAA C[C@H](CNC(=O)c1ccc(-c2cncc(C(N)=O)c2)cc1)N1CCOCC1 426651994 MXDOKZXONOIPIN-CQSZACIVSA-N 368.437 1.298 0 50 FDAA O=C(O)CCN1CCN(Cc2ccc(Cl)cc2)[C@H]2CS(=O)(=O)C[C@H]21 91943844 DWVZKCNBXXYRPJ-CABCVRRESA-N 372.874 1.098 0 50 FDAA COc1cccc(C(=O)N2CCC3(CC2)CNC(=O)C3)c1OCCCN 426651207 FKYJXNLOPNJYDM-UHFFFAOYSA-N 361.442 1.165 0 50 FDAA COc1ncccc1C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2=O 91848691 OSJJRDLOBKHLNQ-GOEBONIOSA-N 366.421 1.748 0 50 FDAA CCOC(=O)CNC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N2 97570888 OJCOMCTVBJDTEB-HNNXBMFYSA-N 359.426 1.397 0 50 FDAA COc1ccc([C@H]2CCNC[C@@H]2NC(=O)N2CC3(CCCOC3)C2)cc1 333747717 YOCCSEHXWZGYCB-MSOLQXFVSA-N 359.470 1.963 0 50 FDAA Cc1nc(-c2cnc(-c3cccnc3)nc2C)n([C@@H]2CCS(=O)(=O)C2)n1 96148635 VBSVBEIDPGIEHV-CQSZACIVSA-N 370.438 1.774 0 50 FDAA CCc1ncc(CN2CCN(C)[C@]3(CCC(=O)N(CC4CC4)CC3)C2)cn1 91575443 DCOYVUGZYQHQBQ-NRFANRHFSA-N 371.529 1.948 0 50 FDAA Cc1cnccc1N1CCCN(C(=O)CCn2c(C)cccc2=O)CC1 95383496 BUAZRBPPPMVCMG-UHFFFAOYSA-N 354.454 1.989 0 50 FDAA CN(C)c1cc(N2CCC(c3nnc(Cn4ccnc4)n3C)CC2)ncn1 92097529 OOQMLCNAVJFEEC-UHFFFAOYSA-N 367.461 1.300 0 50 FDAA O=C(NCCOc1ccccc1F)[C@H]1CC(=O)N(Cc2cccnc2)C1 97156104 DNSLTVKVOXKPDZ-HNNXBMFYSA-N 357.385 1.764 0 50 FDAA CC(C)n1cnnc1CCNC(=O)[C@H](c1ccc2c(c1)OCO2)N(C)C 244601768 DRLLREAHKQDCIH-KRWDZBQOSA-N 359.430 1.549 0 50 FDAA CN(CC(=O)Nc1ccc(C(N)=O)cc1)Cc1cccc(-c2nnn[nH]2)c1 244695646 JPUWRUKSQOYXEN-UHFFFAOYSA-N 365.397 1.036 0 50 FDAA COCCn1cncc1CN1CCN(c2cccc(OC)c2)C(=O)[C@@H]1C 244874139 WVEQKIMVUNVCLU-HNNXBMFYSA-N 358.442 1.775 0 50 FDAA COc1cncc([C@@H](NC(=O)c2n[nH]c3c2CN(C)CC3)[C@H]2C[C@H](O)C2)c1 244817115 SUPBIUDGKRVFRF-BNLOLNQZSA-N 371.441 1.043 0 50 FDAA Cn1c(Cn2cccn2)nnc1[C@H]1C[C@@H](NC(=O)c2ccc(F)c(O)c2)C1 252571063 XPTKGULIQSOAPI-BETUJISGSA-N 370.388 1.581 0 50 FDAA Cc1cc(C(=O)N(CCC(=O)O)C[C@@H]2CCCO2)ccc1-n1cncn1 299747602 DIEAHOGYNWNUAI-HNNXBMFYSA-N 358.398 1.672 0 50 FDAA Cc1noc(C)c1CN1CC[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@H](O)C1 299788299 YEBUZVPJMUXMSL-RHSMWYFYSA-N 359.430 1.257 0 50 FDAA Cc1csc2nc(CNC(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)cn12 299802439 MAPOUYZMYFJQDF-CYBMUJFWSA-N 369.450 1.764 0 50 FDAA CC(=O)N1CCC2(CC1)CN(C(=O)Cc1cn(C)c3ccccc13)CCO2 827969824 UKUAVQZEWLBTCP-UHFFFAOYSA-N 369.465 1.961 0 50 FDAA CC(=O)N1CCOC2(CCN(C(=O)c3cn(-c4ccccc4)nn3)CC2)C1 828226732 IYISRPAUKYTAFZ-UHFFFAOYSA-N 369.425 1.121 0 50 FDAA Cc1nc(S(=O)(=O)NCc2csc(-c3cnccn3)n2)cn1C 825636542 XADSLBCGVLZATO-UHFFFAOYSA-N 350.429 1.121 0 50 FDAA CN(C)c1nc(O)cc([C@@H]2CCN(C(=O)Cn3cc(Cl)cn3)C2)n1 864834621 AWYIYVFBOKDLPE-SNVBAGLBSA-N 350.810 1.114 0 50 FDAA Cc1cc(S(=O)(=O)NCCN2CCCC[C@@H]2CO)c(Cl)cc1F 670454869 IPYOGBJKQXUITP-GFCCVEGCSA-N 364.870 1.913 0 50 FDAA Cc1ncc(CC(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3N2C(=O)C23CC(C2)C3)o1 1875407153 UEHJVKRUSMPKFC-XABWYLMPSA-N 359.426 1.058 0 50 FDAA Cc1c(CNC(=O)C(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2)cnn1C 875199136 JGJJMLLXQZPYJK-VIFPVBQESA-N 369.347 1.636 0 50 FDAA C[C@@H](NC(=O)/C=C/CN(C)C)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1875376744 HAWRUUKTSWUIGT-HSBSLETESA-N 355.479 1.371 0 50 FDAA O=C(NS(=O)(=O)Cc1noc2ccccc12)c1nnn2ccccc12 1875332291 OKAFTNRRHBMLMC-UHFFFAOYSA-N 357.351 1.130 0 50 FDAA Cc1cc(C)c2nonc2c1S(=O)(=O)N(C)C[C@H](C)N1CCOCC1 952968540 KJPQWCBLWHWJKR-ZDUSSCGKSA-N 368.459 1.181 0 50 FDAA Cc1nc2ccnn2c(C)c1CCC(=O)N[C@@H]1C[C@@H](O)C12CCOCC2 887023328 FITLJOWSNIEHAG-HZPDHXFCSA-N 358.442 1.325 0 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1.922 0 50 FDAA C[C@H](C(=O)N1CCC(O)(Cn2ccnc2)CC1)N1CCc2ccccc2C1 95358923 TXQHAXKGZMAPJJ-QGZVFWFLSA-N 368.481 1.683 0 50 FDAA CNc1ncc(C(=O)N[C@@H](c2cc(F)ccc2OC)[C@H]2C[C@H](O)C2)cn1 244874980 XKKROGADWMKUKM-CKUKBARFSA-N 360.389 1.908 0 50 FDAA NC(=O)[C@@H]1CN(C(=O)c2csc(Nc3cc(F)cc(F)c3)n2)CCO1 295270644 OKLFMKJLZBLSAO-LBPRGKRZSA-N 368.365 1.491 0 50 FDAA O=C(C[C@H]1N=C(O)N(Cc2ccco2)C1=O)N[C@@H](CO)c1ccccc1 253535802 FFMDTIPAGSTQJX-CABCVRRESA-N 357.366 1.144 0 50 FDAA COC(=O)c1cn(CCNC(=O)Nc2ccccc2)cc2c(=O)[nH]nc1-2 263587070 BSBLUZIWSYUACB-UHFFFAOYSA-N 355.354 1.285 0 50 FDAA CCNC(=O)c1ccc(N2CCCN(C(=O)c3ccccn3)CC2)nc1 363530528 YMOTZYOKLQOZPV-UHFFFAOYSA-N 353.426 1.579 0 50 FDAA CC(=O)N1CCN(C(=O)CSCc2cc(C)cc(C)c2)C[C@@H](O)C1 299762614 XTBZZKUILQYSFS-KRWDZBQOSA-N 350.484 1.588 0 50 FDAA CN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)C(=O)Nc1ccccc1)C2 299771099 ZMDFCYUQFSRMSC-UHFFFAOYSA-N 368.441 1.132 0 50 FDAA CC(=O)c1cc(CC(=O)N2CCc3c(O)nc(N(C)C)nc3C2)cs1 299770461 UFXZPFSZXNUDNG-UHFFFAOYSA-N 360.439 1.640 0 50 FDAA CO[C@@]12CC[C@H](OCCO)C[C@@H]1N(C(=O)c1n[nH]c3ccccc13)CC2 299778838 OQWNQGKRJURIRF-IYJAJMOOSA-N 359.426 1.724 0 50 FDAA NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)CCCn1nnc(-c2ccc(F)cc2)n1 828034782 UPCCOVVZTRIUIJ-HUUCEWRRSA-N 372.404 1.196 0 50 FDAA CC[C@@H](NC(=O)N1CCN(CCOCCO)CC1)c1ccc(O)cc1 584891022 LBVBOYKPPJJOMQ-QGZVFWFLSA-N 351.447 1.179 0 50 FDAA CSC[C@H](NC(=O)N1CCCN(c2ccc(F)cc2)CC1)C(=O)O 670460462 SRJARKAGXVKMRT-AWEZNQCLSA-N 355.435 1.864 0 50 FDAA C=CC(=O)N1CC(F)(F)C[C@H]1CNC(=O)c1c(C)nc2ccnn2c1C 1875389386 MWYVMAMTAUOUQP-LBPRGKRZSA-N 363.368 1.498 0 50 FDAA Cn1cnc2cnc(N3CCN(C(=O)CC4CC(F)(F)C4)CC3)nc21 1875341150 IEAVYMKRGHZRFN-UHFFFAOYSA-N 350.373 1.447 0 50 FDAA O=C(N[C@H]1CCN(CCF)C1=O)N1CCC[C@@H](c2cc(O)cc(F)c2)C1 1875301565 NAWQPGOGQHGLFP-WBMJQRKESA-N 367.396 1.991 0 50 FDAA COCC1(C(=O)N[C@@H]2C=CCN(C(=O)CCCC3CC3)C2)CCOCC1 1875332665 DFYMAKPUNCVZGD-QGZVFWFLSA-N 364.486 1.893 0 50 FDAA C[C@]1(CCC(=O)N2CCc3c(O)nnc(C(F)(F)F)c3C2)CCC(=O)N1 1875302632 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CO[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccccc2)C[C@H]1c1cn(C)nn1 886084717 BVDQTIAOEQSPDZ-GOEBONIOSA-N 352.398 1.460 0 50 FDAA Cc1nc(O)c(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cncn2C)nc1C 886046144 LCFCSQLSUOXCMB-XJKSGUPXSA-N 358.446 1.345 0 50 FDAA CO[C@H]1c2ccccc2C[C@H]1NC(=O)N1CCC(N(C)C[C@H](C)O)CC1 895347385 GYJRZOSNCCOGSL-KYNGSXCRSA-N 361.486 1.785 0 50 FDAA NC(=O)c1cnc(C(=O)N2CC[C@](CO)(c3ccccc3)C2)c(Cl)c1 1324036480 QAOMEMGCLQIRNK-SFHVURJKSA-N 359.813 1.610 0 50 FDAA O=C(O)CO[C@H]1COCC[C@@H]1NC(=O)c1cc(O)nc2ccc(F)cc12 1565529324 FAXOXJAPKQZIRH-KBPBESRZSA-N 364.329 1.068 0 50 FDAA O=C(Cc1ccc(F)cc1F)N[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1O 1565526832 DTKWMBPBYKLFHJ-ROUUACIJSA-N 374.387 1.899 0 50 FDAA CO[C@H]1CN(C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)C[C@H]1OC 277202326 LQAUGCZWTXUGTP-RRQGHBQHSA-N 351.422 1.707 0 50 FDAA CC(C)(C)c1ccc(OCC(=O)N2CCC[C@H](S(N)(=O)=O)C2)cc1 170636056 ZRJLGWFTIPKLBB-HNNXBMFYSA-N 354.472 1.642 0 50 FDAA COCCNS(=O)(=O)c1cc(Br)c(C)c(C(=O)O)c1C 414322021 RTKXFIGKWGDLBF-UHFFFAOYSA-N 366.233 1.689 0 50 FDAA CC(=O)NC[C@H]1CN(C(=O)c2cccnc2Nc2ccccc2F)CCO1 172132445 GRAFGFULICQOOT-AWEZNQCLSA-N 372.400 1.941 0 50 FDAA COc1ccc(CN[C@H]2CCCN(C(=O)C(C)C)C2)cc1OCC(=O)O 1506423823 XLQAOCNLLSSVFJ-HNNXBMFYSA-N 364.442 1.895 0 50 FDAA Cc1cccc(NC(=O)CC(=O)N2CCC[C@H]2C(=O)N2CCOCC2)c1 1506407905 LZEAMRZFMDNDAA-INIZCTEOSA-N 359.426 1.173 0 50 FDAA Cc1cnc(C)c(N2CCN(c3nccc(N4CCC[C@H](O)C4)n3)CC2)n1 1704340176 PEKUKRAMMRMFRU-INIZCTEOSA-N 369.473 1.171 0 50 FDAA Cc1cc(C[C@@H]2CN(C(=O)c3cc(CC(C)C)nc(O)n3)C[C@H]2O)on1 1704337887 GUTQCQMIBUZMDR-MLGOLLRUSA-N 360.414 1.353 0 50 FDAA CC(C)(C)c1oc(C(N)=O)cc1CN1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704316149 XRCGBYLDLOBJAT-IUODEOHRSA-N 358.442 1.501 0 50 FDAA O=C(CCS(=O)(=O)c1ccccc1)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 1704350278 YOEFCZYCDMCQNG-CRAIPNDOSA-N 374.462 1.307 0 50 FDAA O=C(c1cncc(N2C[C@@H](O)[C@H](Cc3ccncc3)C2)n1)N1CCCC1 1704305494 RDUWTCZPKMUPLT-NVXWUHKLSA-N 353.426 1.147 0 50 FDAA Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](F)C[C@H]2CO)s1 332708571 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Cc1nn(CC(=O)N(C)Cc2c(F)cccc2Cl)c(=O)c(CO)c1C 253425809 ISJYINUVLSUGOL-UHFFFAOYSA-N 367.808 1.804 0 50 FDAA C[C@@H](C(=O)N1CCCN(C(N)=O)CC1)N1CCC(Cc2ccccc2)CC1 264729982 ZGADSWUWSUZUEO-KRWDZBQOSA-N 372.513 1.943 0 50 FDAA Cc1c(Cl)cccc1C(=O)N1C[C@H]2COC[C@@H](C1)CN2CC(=O)O 1704337111 VPPPALMTDRGNSO-OLZOCXBDSA-N 352.818 1.506 0 50 FDAA Cc1c(NS(=O)(=O)N2CCCCC2)c(=O)n(-c2ccccc2)n1C 645840 HGEONJLVVRPOSN-UHFFFAOYSA-N 350.444 1.627 0 50 FDAA COc1ccc(F)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1 1429989 ARQYBMYWYCSXNG-UHFFFAOYSA-N 368.386 1.574 0 50 FDAA O=C(O)[C@@H]1C[C@@H]1CS(=O)(=O)N[C@@H]1COc2ccc3ccccc3c2C1 2325801743 UNWAARKQTICSMC-VNHYZAJKSA-N 361.419 1.783 0 50 FDAA CN(c1cccc(CNC(=O)c2cnc(N)c(Cl)c2)c1)S(C)(=O)=O 2325818430 ASGHIMAFGOJFIL-UHFFFAOYSA-N 368.846 1.643 0 50 FDAA O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1c[nH]c2ncnc(O)c12 2325865013 JGMRTCOQURTHCO-UHFFFAOYSA-N 367.365 1.388 0 50 FDAA CCO[C@@H](C)C(=O)NC[C@@H]1CN(c2cc(CC)nc(CC)n2)CCO1 2325868084 OLVGJSRZNCGRBB-DZGCQCFKSA-N 350.463 1.348 0 50 FDAA 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350.378 1.716 0 50 FDAA Cn1ccc(C(=O)N2CCC[C@@H](c3nnc(CN4CCCCC4)n3C)C2)n1 72429255 IHPQRAZMKUNVPO-OAHLLOKOSA-N 371.489 1.554 0 50 FDAA CCCN1C[C@H]2CN(C(=O)c3nc4cc(C)ccn4c3F)C[C@@]2(C(=O)O)C1 215636047 MFZSFYVAIJLMAG-DJJJIMSYSA-N 374.416 1.650 0 50 FDAA O=C(O)[C@@H]1CN(C(=O)c2occc2CN2C(=O)Cc3ccccc32)CCO1 262979113 MTSILMGJJIYUBC-HNNXBMFYSA-N 370.361 1.295 0 50 FDAA O=C1NC[C@@]2(CCCN(C(=O)CCCc3nc(-c4cccnc4)no3)C2)O1 219767874 BEJWGAMIMHPFDC-GOSISDBHSA-N 371.397 1.555 0 50 FDAA CN(C)Cc1nnc([C@H]2CCCN(C(=O)c3ccn(C(F)F)n3)C2)n1C 72426561 FVAPMCITGMTDPX-NSHDSACASA-N 367.404 1.488 0 50 FDAA COCCN(C)CCN1CC2(CCN(C(=O)[C@H]3CC3(C)C)CC2)OC1=O 77471207 MKUMGCCFBOKDNV-OAHLLOKOSA-N 367.490 1.424 0 50 FDAA Cc1ccc(NC(=O)C(C)(C)C)cc1S(=O)(=O)N1CCN(C)CC1 72116075 HRCAKRQGELZZHS-UHFFFAOYSA-N 353.488 1.916 0 50 FDAA CC[C@@H]1CN(Cc2nc(C(=O)NC)no2)CCC(=O)N1Cc1ccccc1 71639214 YGPUSAIVPRBOHB-OAHLLOKOSA-N 371.441 1.442 0 50 FDAA Cc1cc(N)n(CC(=O)N2CCC[C@]3(CCC(=O)N(C4CCCC4)C3)C2)n1 77456120 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CN(C)CCN1C[C@@H](C(=O)NCc2ccccc2C(F)(F)F)CC1=O 91793090 MELLHYHLLFZFOB-ZDUSSCGKSA-N 357.376 1.732 0 50 FDAA O=C(C[C@@H]1CNCCO1)N(Cc1ccncc1)Cc1ccc2c(c1)OCO2 97076806 WXFMZVQETAKKAA-QGZVFWFLSA-N 369.421 1.718 0 50 FDAA CNC(=O)c1[nH]nc2c1CN(Cc1ccc(-n3cccn3)cc1C)CC2 97756451 MNENNGXSRKJMRU-UHFFFAOYSA-N 350.426 1.822 0 50 FDAA CC(C)[C@]1(O)CN(C(=O)C2(S(=O)(=O)c3ccccc3)CC2)C[C@H]1C 91997721 NSKVBRYGUUFTDE-RDTXWAMCSA-N 351.468 1.858 0 50 FDAA CSCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 91745395 YOYSPUYDVLALQE-GOSISDBHSA-N 362.499 1.879 0 50 FDAA O=C1CNc2ccc(-c3nc([C@H](O)c4ccccc4)nn3CCO)cc2N1 96150055 BKRGYQDQSFYYPT-QGZVFWFLSA-N 365.393 1.383 0 50 FDAA O=C(c1ccon1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 91439977 OWIBZWDZHBHMIX-UHFFFAOYSA-N 355.398 1.324 0 50 FDAA Cc1nn(CC(=O)NC[C@@H](CO)Cc2ccsc2)c(=O)c2ccccc12 91780032 UMTWMNFXHOGAKQ-HNNXBMFYSA-N 371.462 1.734 0 50 FDAA Cc1nc(COc2cccc(-n3cnnn3)c2)n(CCc2cnc[nH]2)n1 97323988 RKDGZZKEHWVCRO-UHFFFAOYSA-N 351.374 1.107 0 50 FDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1snnc1C)CC2 91364419 PXNQHEZAKZLZHE-UHFFFAOYSA-N 374.470 1.496 0 50 FDAA Cc1noc(C)c1CN1CC[C@H](N2CCOCC2)[C@H](CCC(=O)O)C1 92028973 PYMCRVXRUNWLLD-WBVHZDCISA-N 351.447 1.679 0 50 FDAA Cc1cc(CNC(=O)c2ccc(S(=O)(=O)NCC(F)F)cc2)on1 91781810 ISVYBMARZVMAPT-UHFFFAOYSA-N 359.354 1.456 0 50 FDAA Cc1cc(N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)nc(N)n1 91620573 RUGBNLDZPPSEAP-UHFFFAOYSA-N 367.457 1.381 0 50 FDAA Cc1nc(N)nc(NCc2cccc(-c3nnn[nH]3)c2)c1CCC(=O)O 95358013 BYKCCOWUPKGSLG-UHFFFAOYSA-N 354.374 1.177 0 50 FDAA O=C(c1cccc(S(=O)(=O)N[C@@H]2CCCOC2)c1)N1CCSCC1 95366295 BQNWFHVOKLTJBL-CQSZACIVSA-N 370.496 1.333 0 50 FDAA O=C1C[C@H](C(=O)N2CCN(c3ccccc3)CC2)CN1Cc1ccncc1 91818120 NTJSOROQKNUQJH-SFHVURJKSA-N 364.449 1.779 0 50 FDAA O=C(NCc1ccccn1)C1CCN(C(=O)[C@H]2CC[C@@H](C(=O)O)C2)CC1 97492598 IFFNVAXWGIJOLJ-LSDHHAIUSA-N 359.426 1.437 0 50 FDAA Cc1cc(C2CCC2)nc(N2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)n1 91986672 XHUJJPJHANHVBG-AWEZNQCLSA-N 358.442 1.954 0 50 FDAA 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367.413 1.057 0 50 FDAA CCCCc1ccc(NC(=O)CCN2CCN(S(C)(=O)=O)CC2)cc1 299793082 IRVQPHKBDSTEEC-UHFFFAOYSA-N 367.515 1.935 0 50 FDAA CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cccc(-c2cc(N)ncn2)c1 299756445 IKZONLVJXQGDQQ-QGZVFWFLSA-N 369.469 1.909 0 50 FDAA O=C(NCCc1csc(-c2ccncc2)n1)[C@H]1CCCCn2nnnc21 299769864 NVLCEWHRKLEPRW-AWEZNQCLSA-N 369.454 1.818 0 50 FDAA NC(=O)c1cccnc1NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2 299780708 BGAVXDNHMKEVNF-UHFFFAOYSA-N 354.414 1.131 0 50 FDAA CC(C)(C)N1C[C@@H](C(=O)N2CCN(c3ccc4nccn4n3)CC2)CC1=O 299779929 AWTAQXVYXUMCEH-AWEZNQCLSA-N 370.457 1.025 0 50 FDAA CN(C)c1ncc(/C=C/C(=O)N2CCC[C@H](C(=O)c3nccn3C)C2)cn1 827922434 UVCAATIZBTYSJZ-LFAOLKIESA-N 368.441 1.411 0 50 FDAA CN1CCc2cc3c(c(OCC(=O)NCc4cccnc4)c2C1=O)OCO3 828029630 CTCBXYMPWOJEHS-UHFFFAOYSA-N 369.377 1.134 0 50 FDAA biogenic O=C(NC1CCN(C(=O)N2CCCC2)CC1)N[C@@H](CO)Cc1ccccc1 584897048 RWKDBDDBHUWETE-GOSISDBHSA-N 374.485 1.569 0 50 FDAA CN1C[C@]2(CCN(C(=O)NC3(c4ccc(Cl)cc4)CC3)C2)OCC1=O 584895143 ZGQBGZDSVMYZFZ-KRWDZBQOSA-N 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0 50 FDAA COC(=O)c1ccc(OC)c(NC(=O)NCCSc2nncn2C)c1 299768364 IYQNJSUNIYXDGF-UHFFFAOYSA-N 365.415 1.524 0 50 FDAA Cc1cc(NC(=O)NCCN2CCC[C@H](C(N)=O)C2)n(C2CCCC2)n1 299794953 JINIRKXKSXXYIJ-AWEZNQCLSA-N 362.478 1.625 0 50 FDAA CC(C)CN1C[C@@H](C(=O)Nc2ccccc2NC(=O)CN(C)C)CC1=O 821236041 CMRDAEZZRQIQQV-AWEZNQCLSA-N 360.458 1.630 0 50 FDAA COc1ccccc1CN(C(=O)NCc1nc(C(N)=O)no1)C1CCCC1 584897814 WEWGWFXINCKHGN-UHFFFAOYSA-N 373.413 1.832 0 50 FDAA C[C@@H]1[C@@H](C(F)(F)F)OCCN1C(=O)C1CCN(c2cc(O)ncn2)CC1 1875309553 BWDBKEPIERRPOE-YGRLFVJLSA-N 374.363 1.577 0 50 FDAA CCOc1cc(C(=O)N2CC[C@@H](N(CC)C(=O)c3cnccn3)C2)on1 1875307817 LVIUPFJFMGJTPF-GFCCVEGCSA-N 359.386 1.240 0 50 FDAA C=CC(=O)N1CC2(CC[C@H](CNC(=O)C(C)(C)n3ccc(C4CC4)n3)O2)C1 1875389406 NIOHACWNKUTYCA-OAHLLOKOSA-N 372.469 1.558 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC[C@H](c3nncn3C(C)C)C2)C1 1875370737 BIVPYFJDGWAZPM-HOTGVXAUSA-N 359.474 1.990 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1ccccc1-c1cn[nH]c1 1875402568 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O=C(CCc1nc(-c2ncccn2)no1)NC1CCN(CC2CC2)CC1 171032387 LTIIZQRTSHKMMK-UHFFFAOYSA-N 356.430 1.450 0 50 FDAA O=C(NC1CCN(c2nccs2)CC1)c1ccc(N2CCCC2)nn1 281205374 INUISCXASIRKFC-UHFFFAOYSA-N 358.471 1.932 0 50 FDAA CCN1CCN(c2ccc(C(=O)N(CCO)CC(F)F)cc2F)CC1 194397692 VINBOAIHIYWKRP-UHFFFAOYSA-N 359.392 1.667 0 50 FDAA Nc1nc2c(c(C(=O)NCc3noc(Cc4cccs4)n3)n1)CCCC2 1506422148 OXSGQJDXJSWZBO-UHFFFAOYSA-N 370.438 1.903 0 50 FDAA CN1CCC[C@H]1C(=O)N1CCCN(C(=O)c2n[nH]c3ccccc23)CC1 1529190664 LJVVTWDPGGFHQO-INIZCTEOSA-N 355.442 1.332 0 50 FDAA CN(C)S(=O)(=O)C[C@H]1CN(Cc2ccccc2C(F)(F)F)C[C@@H]1O 1615965270 QHZBZGSIKMNWJY-OCCSQVGLSA-N 366.405 1.390 0 50 FDAA O=C(CCS(=O)(=O)c1ccccc1)N[C@H]1COC[C@@H]1Cc1ccncc1 1616081839 VNOHNYOHCIYCJW-WMZOPIPTSA-N 374.462 1.619 0 50 FDAA NC(=O)c1ccc(OCCCN2CCCN(C(=O)C3CCC3)CC2)cc1 1772819155 GDHBELQRFNOOCF-UHFFFAOYSA-N 359.470 1.889 0 50 FDAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)N1C[C@@H]2CCCN2C(=O)[C@H]1C 1772700485 FLPVWBQWOYYTEJ-ZBFHGGJFSA-N 374.466 1.565 0 50 FDAA CCCNS(=O)(=O)c1ccc(-c2nc(C)nn2-c2cnn(C)c2)cc1 1772816485 NWNGITZUGVFJNW-UHFFFAOYSA-N 360.443 1.665 0 50 FDAA Cn1cncc1CN1CCCN(C(=O)Cn2ncc3ccccc32)CC1 1775980727 IOZUETSCJVMPQW-UHFFFAOYSA-N 352.442 1.504 0 50 FDAA O=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)N1CCOCC1 5060269 NIYLFUPZNVLNTP-UHFFFAOYSA-N 358.419 1.721 0 50 FDAA CC(C)[C@H](NC(=O)CCCCSc1nc(N)nc2[nH]cnc12)C(=O)O 5349688 STQKNYPUUUHURK-JTQLQIEISA-N 366.447 1.423 0 50 FDAA CCN(CC)S(=O)(=O)c1ccc(OC)c(N(C)S(C)(=O)=O)c1 5554029 NWAYYZLTYQHFKK-UHFFFAOYSA-N 350.462 1.122 0 50 FDAA COc1cc(OC)nc(NCc2cccnc2N2CCN(C(C)=O)CC2)n1 12091171 OFBUZMKOSKNHMD-UHFFFAOYSA-N 372.429 1.169 0 50 FDAA CN(C)S(=O)(=O)N1CCO[C@@H](Cc2cccc(C(F)(F)F)c2)C1 12576381 GHVCWSFPKYSSFL-ZDUSSCGKSA-N 352.378 1.755 0 50 FDAA CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@H]1c1ccc(C)cc1C 16490312 PHEGFYAEUXHRFP-SFHVURJKSA-N 373.453 1.807 0 50 FDAA CCn1c(CN2CCOCC2)nnc1SCC(=O)NC1CCCCC1 19799577 GSJIWSSKIFTGNA-UHFFFAOYSA-N 367.519 1.671 0 50 FDAA NC(=O)[C@@H]1CCCN1C(=O)c1coc(CN2CCc3ccccc3C2)n1 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CCOC(=O)N1CCN([C@@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)CC1 19881584 RXCXMELTUHRXKP-MRXNPFEDSA-N 359.426 1.709 0 50 FDAA Cc1nc(C)n(CCC(=O)N[C@@H]2CC[C@H]3CN(C(=O)[C@H]4C[C@@H]4C)C[C@H]32)n1 1875406495 FVKFTUGMDTXOHK-QICMWSIFSA-N 359.474 1.294 0 50 FDAA COc1ccccc1CNC(=O)CN1CCc2ccccc2[C@H]1C(N)=O 368684962 NGESXNLKIRVJOH-IBGZPJMESA-N 353.422 1.396 0 50 FDAA COc1cc(Cl)c(S(=O)(=O)N[C@H](C(=O)O)C(C)C)cc1OC 262991058 ZVMBLOJOFMYBGJ-LBPRGKRZSA-N 351.808 1.745 0 50 FDAA O=C(Nc1ccc(-n2nccn2)nc1)C1CCN(c2cnccn2)CC1 914452962 ZMPUQXOBCKWXFQ-UHFFFAOYSA-N 350.386 1.307 0 50 FDAA Cc1nn(C)c(Cl)c1CNCC1(N2CCOCC2)CCN(C)CC1 840954192 ABGIONDJWQOZAD-UHFFFAOYSA-N 355.914 1.268 0 50 FDAA O=C(c1ccco1)N1CCN(C(=O)c2cc3ccccc3oc2=O)CC1 1926040 LPHUVPITEWQBFA-UHFFFAOYSA-N 352.346 1.984 0 50 FDAA Cn1ncc2nc(C(F)F)c(C(=O)Nc3nc(C(N)=O)cs3)cc21 2325839027 GVIFYWYBYZHBQU-UHFFFAOYSA-N 352.326 1.714 0 50 FDAA NCc1ccccc1CNC(=O)c1ccc2nc(Br)nn2c1 2325856166 DHHHIYULNNFLAW-UHFFFAOYSA-N 360.215 1.881 0 50 FDAA O=C(C1CCOCC1)N1CCN(Cc2n[nH]cc2Br)CC1 2325870829 QXXQUFMPLASYOM-UHFFFAOYSA-N 357.252 1.243 0 50 FDAA C=CC(=O)N1CCCc2cc(C(=O)NCc3cc(O)nc(S)n3)ccc21 2325889712 LKPHDYJRRBCNBK-UHFFFAOYSA-N 370.434 1.866 0 50 FDAA Cc1ccn(C)c1C(=O)NC[C@@H]1C[C@H](C(=O)N[C@H](C)c2ccn(C)n2)CO1 2332237876 PQVHQUDMEJLDNJ-ILXRZTDVSA-N 373.457 1.079 0 50 FDAA O=C(NC[C@H]1CCCO1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 1345730 UXXPESRWIFWLKD-QGZVFWFLSA-N 366.483 1.524 0 50 FDAA O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CCSCC1 53802930 UPBXESHAFLMCIW-AWEZNQCLSA-N 370.496 1.333 0 50 FDAA Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCCN1CCCCCC1 9421268 CPGCTTAMJQQSGY-UHFFFAOYSA-N 372.473 1.559 0 50 FDAA CC(C)CN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1 55053245 ZBPWBCPWATZNQE-INIZCTEOSA-N 353.413 1.770 0 50 FDAA COc1cccc2c1OC[C@H](NCc1cnc(N3CCOCC3)nc1)C2 102939408 JGBBUNJHMQGHFM-MRXNPFEDSA-N 356.426 1.415 0 50 FDAA Cc1cc(C(=O)N2CCN3C(=O)CNC(=O)[C@@H]3C2)sc1-c1ccccc1 65534135 WVOUURPSHCPFBK-AWEZNQCLSA-N 369.446 1.506 0 50 FDAA 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COc1cccc(C[C@@H]2CN(C(=O)Cc3c(C)nc(N)nc3C)CCO2)c1 71775827 XCWSADMQICCRDH-QGZVFWFLSA-N 370.453 1.697 0 50 FDAA CC1=CCN(S(=O)(=O)c2cccc(C(=O)N3CCNC[C@H]3C)c2)CC1 215230913 NIJZVLOCBIIASR-OAHLLOKOSA-N 363.483 1.461 0 50 FDAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCn1nnc2ccccc2c1=O 262350853 HHRIMAWNMMYYBC-KCXAZCMYSA-N 370.409 1.426 0 50 FDAA C[C@@H](Cc1cnccn1)NC(=O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 32541413 NZKGQZRWJBWERC-RYUDHWBXSA-N 360.364 1.855 0 50 FDAA O=C(O)C[C@@H]1CSCCN1C(=O)CC[C@@H]1Cc2ccccc2NC1=O 262553556 VNHJDSIHIBEWAK-ZIAGYGMSSA-N 362.451 1.996 0 50 FDAA CNC[C@@H]1CCCN1C(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1 262597813 ZPHYFLDWHYNKNJ-NSHDSACASA-N 355.822 1.037 0 50 FDAA O=C(Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)O)c1)[C@@H]1COCCO1 262853017 VNQBPQDPNJEFAR-GJZGRUSLSA-N 362.382 1.120 0 50 FDAA CC(C)Cc1noc(CN[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)n1 285139115 OORAFCOBVYCSEB-FZKQIMNGSA-N 358.446 1.596 0 50 FDAA CC(=O)N1CC[C@@H](C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)C1 175325372 GMRUXBYIJKQOIR-CQSZACIVSA-N 364.877 1.899 0 50 FDAA Cn1cccc1[C@@H]1COCCN1CC(=O)N1CC(=O)Nc2ccccc21 131782971 GPKSFNYQOGIXAB-KRWDZBQOSA-N 354.410 1.384 0 50 FDAA Cc1c(C(=O)N2CCC[C@H](C(=O)O)C2)nnn1Cc1ccc(F)cc1F 263425661 MBPKYNWVVVZKEG-LBPRGKRZSA-N 364.352 1.850 0 50 FDAA O=C(CCSCc1nc(O)c2ccccc2n1)NCC1(C(=O)O)CC1 263487661 VVXNEYFBXLADEA-UHFFFAOYSA-N 361.423 1.940 0 50 FDAA Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCc1snnc1C 426422830 IGTHAFKEVSRTAH-OAHLLOKOSA-N 373.482 1.162 0 50 FDAA Cc1nc(O)nc(C)c1CCC(=O)N[C@H]1CCCN(c2ncccn2)C1 223357378 VBQWOSAJZBNHSN-AWEZNQCLSA-N 356.430 1.307 0 50 FDAA CCc1cc(NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)nc(C)n1 82115995 XLKGGOCXXADYBL-UHFFFAOYSA-N 364.475 1.321 0 50 FDAA CCC[C@@H]1CN(C(=O)CCc2c(C)nn(C)c2C)C[C@H]1NS(C)(=O)=O 82087670 IAZOKXCLJNAONQ-GDBMZVCRSA-N 370.519 1.146 0 50 FDAA Cc1ncsc1C(=O)NCc1cc2n(n1)CCCN(C(=O)N(C)C)C2 82087892 BUJGAJDNDDAFND-UHFFFAOYSA-N 362.459 1.465 0 50 FDAA CN(C)C(=O)CO[C@@H]1COCC[C@H]1NC(=O)c1cc2ccccc2cn1 223777583 SMTDUKVUVOZCSA-NVXWUHKLSA-N 357.410 1.227 0 50 FDAA CC(C)[C@H](NC(=O)c1cn(CC(N)=O)nn1)c1ccc(Cl)cc1F 182244381 RHUXLLYNFKUKJA-AWEZNQCLSA-N 353.785 1.683 0 50 FDAA Cn1c2c(cc(C(=O)N3CCN(c4cnccn4)CC3)c1=O)CCCC2 426535231 TVYIFLMWXQZRBN-UHFFFAOYSA-N 353.426 1.017 0 50 FDAA COc1ccc(C2(C(=O)NCCc3nc(N)n[nH]3)CCCC2)cc1OC 426415238 DBJCSVOXGYOQGT-UHFFFAOYSA-N 359.430 1.575 0 50 FDAA NCCOc1ccc(F)cc1C(=O)NCc1cccnc1-n1cncn1 426537723 PNDBGRCBKJTQJX-UHFFFAOYSA-N 356.361 1.069 0 50 FDAA COc1ccccc1[C@H]1CNC(=O)c2nc(Cc3ncnn3C)[nH]c2C1 95357080 JELVUOJCTNIELJ-LLVKDONJSA-N 352.398 1.207 0 50 FDAA COc1ccccc1-n1nc(CC(N)=O)nc1Cn1cc(Cl)c(C)n1 96138099 WRLUBXJTVXNWHR-UHFFFAOYSA-N 360.805 1.510 0 50 FDAA O=C(NCCN1CCNC1=O)Nc1ccc(OCCc2ccccn2)cc1 95499333 BXWSXPXOLPRCND-UHFFFAOYSA-N 369.425 1.850 0 50 FDAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(C(C)=O)CC1 95512390 OWNLSTJJGYPBKB-UHFFFAOYSA-N 350.415 1.461 0 50 FDAA O=C(CCc1cccnc1)N1CCn2nc(CNc3ncccn3)cc2C1 426548522 NBCILKXLQJBLDR-UHFFFAOYSA-N 363.425 1.655 0 50 FDAA CCC[C@H]1CN(CCC(=O)O)C[C@@H]1NC(=O)COc1cccc(F)c1 91679394 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O=C(Cc1cccc(F)c1)NCC1CCN(C(=O)c2c[nH]c(=O)cn2)CC1 952989083 BWQRLMBUNWBATQ-UHFFFAOYSA-N 372.400 1.120 0 50 FDAA Cc1noc(C)c1S(=O)(=O)N1CCc2nc[nH]c2[C@H]1c1cccnc1 952871895 FXMQLIIEJFJUIP-OAHLLOKOSA-N 359.411 1.746 0 50 FDAA CC(C)CN1CCN(C2CCN(C(=O)C3CCC3)CC2)C[C@@H]1CCO 952968564 MGWRHIIZHIXVQE-IBGZPJMESA-N 351.535 1.802 0 50 FDAA CC(=O)NCc1cc(O[C@@H]2CCN(C[C@@H](O)c3ccccc3)C2)ccn1 886072152 XDIGAFGSGOAXDF-WOJBJXKFSA-N 355.438 1.904 0 50 FDAA Cc1cccc2nc(C(=O)N[C@H]3CCN(Cc4cscn4)C[C@@H]3O)cn12 1565509197 GVNLNUDXIUXKLH-HOCLYGCPSA-N 371.466 1.464 0 50 FDAA CCc1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2cnccn2)C3)ccn1 1565514239 PZZKFCPMHBNJHH-PBHICJAKSA-N 365.437 1.811 0 50 FDAA COc1cc(OC)nc(N[C@H]2CCOC[C@@H]2OCc2cscn2)n1 1565508896 CQHMMOPAIRJDOY-RYUDHWBXSA-N 352.416 1.737 0 50 FDAA O=C(Nc1ccccc1-c1ccco1)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 1073416300 GLRCUCXZADLNEF-CABCVRRESA-N 361.423 1.549 0 50 FDAA COC(=O)c1c[nH]c(C(=O)OC)c1NC(=O)Cc1ccc(OC)c(F)c1 170598562 PERSKHGUVDGTIE-UHFFFAOYSA-N 364.329 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0 50 FDAA Cc1cccnc1CCNC(=O)[C@@H]1CCC(=O)N(Cc2ccccn2)C1 11938495 NBBFXFSQEKZMGR-MRXNPFEDSA-N 352.438 1.883 0 50 FDAA O=C(/C=C/c1ccc(Cl)cc1)N1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1 12205546 BWEQUTYHOJPRMC-YNDRMARASA-N 364.873 1.772 0 50 FDAA Cn1c(=O)c2c(nc(Br)n2CCc2ccccc2)n(C)c1=O 12437126 LKPLLCQMOAHILQ-UHFFFAOYSA-N 363.215 1.439 0 50 FDAA C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)C(=O)O 16651919 RHSKSXIQMNNZLG-SNVBAGLBSA-N 358.391 1.203 0 50 FDAA O=S(=O)(c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19373665 OEMVHNGCXFDGTI-UHFFFAOYSA-N 360.435 1.922 0 50 FDAA O=C1CCN([C@@H]2c3ccccc3C3(CCN(CC4CC4)CC3)[C@H]2O)CCN1 19940114 JJDHLZIERITCGJ-RTWAWAEBSA-N 369.509 1.668 0 50 FDAA Cc1nc(C(=O)N(C)Cc2cnn(C)c2)nc(N2CC[C@@H](N(C)C)C2)c1C 1857528673 RLJFWDGLIQHGHD-MRXNPFEDSA-N 371.489 1.239 0 50 FDAA CNC(=O)C[C@H]1CN(CCCc2ccccc2Br)C[C@@H]1O 1857531058 DHRRWNHNIBPLHQ-ZFWWWQNUSA-N 355.276 1.811 0 50 FDAA CC[C@@]12COC(=O)N1CCN(C(=O)CN1CCOc3ccccc3C1)C2 1857680359 LELVOPJRLALCSQ-LJQANCHMSA-N 359.426 1.324 0 50 FDAA 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C[C@@H](NC(=O)N1CCC2(CC1)C(=O)Nc1ccccc12)c1ncnn1C 584884534 MIGRADLXPBMNMK-GFCCVEGCSA-N 354.414 1.572 0 50 FDAA Cn1nnnc1CN1CC[C@H](CNC(=O)c2ccc3ncccc3c2)C1 1875303318 NFMGRDBTCLUJHT-CYBMUJFWSA-N 351.414 1.010 0 50 FDAA O=C([C@H]1CCOC1)N1C[C@@H]2C[C@H](C1)CN2C(=O)c1scnc1Cl 1875406794 MGSXJQCURCHHSM-VWYCJHECSA-N 355.847 1.506 0 50 FDAA CCOC(=O)CS[C@H](CNC(=O)Nc1cnn(C)c1)C(F)(F)F 876257092 FHWMITJXIWVRIV-SECBINFHSA-N 354.354 1.769 0 50 FDAA CNC(=O)[C@@H](Cc1ccccc1)NC(=O)C[C@@H](NC1CC1)C(F)(F)F 1875284566 ZPSNRXHJDLFLFT-ZIAGYGMSSA-N 357.376 1.533 0 50 FDAA Cn1ccnc1SCC(=O)N1CCC[C@@H](CNC(=O)c2ccoc2)C1 952860248 JGARHUAMUWWRRR-ZDUSSCGKSA-N 362.455 1.774 0 50 FDAA COc1ccc(F)c(F)c1C(=O)NC[C@H]1CCCN(S(C)(=O)=O)C1 952975371 XWJMYTSKVWETHY-SNVBAGLBSA-N 362.398 1.375 0 50 FDAA O=S1(=O)CC[C@H](S(=O)(=O)N2CCOc3ccc(Cl)cc3C2)C1 952867158 JTTJYWWQCJMNEU-LBPRGKRZSA-N 365.860 1.051 0 50 FDAA Cc1ncc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2c(C)noc2C)C3)c(O)n1 1565527340 MJBMZRZIUWSYSB-CABCVRRESA-N 371.441 1.832 0 50 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CC(C)n1ccnc1CN1CCCn2nc(CNS(C)(=O)=O)cc2C1 82121992 BQNWHGXHWJMTFE-UHFFFAOYSA-N 366.491 1.116 0 50 FDAA O=C(CCc1ccc2c(c1)OCO2)N1CCN(C(=O)c2ccc[nH]2)CC1 223148145 PNCDINXOXIMYSV-UHFFFAOYSA-N 355.394 1.661 0 50 FDAA O=C(CCCOc1ccccc1)N1CCCn2nc([C@@H](O)CO)cc2C1 221379420 XTNFDHOHZQITNS-SFHVURJKSA-N 359.426 1.500 0 50 FDAA CN(Cc1n[nH]c2c1CCC2)C(=O)NCCc1nc(-c2ccccn2)no1 426406110 KXNCUGZASJJFII-UHFFFAOYSA-N 367.413 1.728 0 50 FDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)NCc1cc(F)ccc1F 20601561 PKNVUJYMFHRTIH-GOSISDBHSA-N 373.403 1.972 0 50 FDAA Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)C3CC3)C2)c(OCCCN)c1 426552299 HNTVJYGPDKPJLC-INIZCTEOSA-N 359.470 1.853 0 50 FDAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)C(C)=O)C3)C2=O)c1 426590025 SHXOCPUCTCFDLJ-IBGZPJMESA-N 362.401 1.764 0 50 FDAA CCn1cnnc1CCNC(=O)Nc1cc(Cl)c2c(c1)NC(=O)CO2 426423390 LDLMYMPPNMIONS-UHFFFAOYSA-N 364.793 1.647 0 50 FDAA C[C@@H](NC(=O)c1ccc2sc3c(c2c1)CCNC3=O)c1nc(N)n[nH]1 426514866 QIFJNSDZLFYKSZ-SSDOTTSWSA-N 356.411 1.379 0 50 FDAA CNC(=O)C[C@H](C)N(C)C(=O)c1cccc(-c2cncc(C(N)=O)c2)c1 426422735 DNDJFOGSPYBQPT-LBPRGKRZSA-N 354.410 1.444 0 50 FDAA CCn1c(Cn2cncn2)nnc1C1CCN(C(=O)c2cccnc2)CC1 91893608 MYJQCIPBIVBBPY-UHFFFAOYSA-N 366.429 1.353 0 50 FDAA O=C(c1ccc[nH]c1=O)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 91950924 PKAYMNLCDJPQDX-WCQYABFASA-N 358.423 1.095 0 50 FDAA O=C(O)[C@@H]1CN(Cc2cnc(N3CCOCC3)nc2)C[C@H]1c1ccccc1 91504236 QDVQJNUASFYQSX-ZWKOTPCHSA-N 368.437 1.613 0 50 FDAA c1cncc(-c2nc3c(c(N4CCN5CCC[C@H]5C4)n2)CCNCC3)c1 230086521 QTQJIWIPNFQAMA-INIZCTEOSA-N 350.470 1.511 0 50 FDAA CN(C[C@@H](O)CO)C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)cc1 96166256 VYSUSIVLVZGWSB-GFCCVEGCSA-N 372.347 1.923 0 50 FDAA O=C([C@H]1CC(=O)N(c2cccc(O)c2)C1)N1CCC(c2ncc[nH]2)CC1 95527936 QKNJXERCHFTXCE-AWEZNQCLSA-N 354.410 1.874 0 50 FDAA O=C1NCCN2CCN(C(=O)NCc3ccc(C(F)(F)F)cc3F)C[C@@H]12 426633699 AIDUDEHZURQMGD-ZDUSSCGKSA-N 374.338 1.170 0 50 FDAA C[C@H](O)CCCn1nc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc21 96024652 PLWUNCALBOFEBI-BLLLJJGKSA-N 360.458 1.827 0 50 FDAA in-vitro Cc1nn(CCC(=O)N2CCC3(CC2)c2[nH]cnc2CCN3C)c(C)c1C 91872489 NQTUMVFJFHYWMH-UHFFFAOYSA-N 370.501 1.927 0 50 FDAA Cc1cc(S(N)(=O)=O)cc(C(=O)NC[C@H](CO)C2CCCCC2)c1C 294562959 MXDQLPVWJLEIJA-OAHLLOKOSA-N 368.499 1.869 0 50 FDAA O=C(Cc1ccccc1Cl)N1C[C@@H](CO)C[C@H](CN2CCOCC2)C1 92062345 BLIINAAMXPLTQH-CVEARBPZSA-N 366.889 1.672 0 50 FDAA CCCNS(=O)(=O)c1ccc(C(=O)NCCSc2ncn[nH]2)cc1 91288563 PAOCXYCKTSYMTG-UHFFFAOYSA-N 369.472 1.015 0 50 FDAA CN1C(=O)C[C@H](C(=O)O)C12CCN(Cc1ccc3c(c1)OCCO3)CC2 95367497 MDJXPTOWEHCGPH-CQSZACIVSA-N 360.410 1.355 0 50 FDAA CC(C)c1cc(CN2C[C@H]3CN(C(=O)N(C)C)C[C@@]3(C(=O)O)C2)no1 96151379 WLNSBJRRWHTXBQ-SJCJKPOMSA-N 350.419 1.298 0 50 FDAA CC(C)c1nn(C)c(N2CCOCC2)c1CN[C@@H]1CCc2[nH]ncc2C1 236620138 XIEXHTYAWBLYGQ-OAHLLOKOSA-N 358.490 1.750 0 50 FDAA Cc1cc(C)c2[nH]c(CN3CCC[C@H]3C(=O)N3CCOCC3)cc(=O)c2c1 91305918 BMOQGHPNXNFMSW-SFHVURJKSA-N 369.465 1.968 0 50 FDAA CCC[C@@H](NC(C)=O)C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O 91655919 AWZYLIFRPSWDCJ-MRXNPFEDSA-N 358.442 1.717 0 50 FDAA Cn1cccc1-c1cc(C(=O)N[C@H](Cc2ccccn2)[C@H]2C[C@@H](O)C2)[nH]n1 244700874 JVMLKAWOKVZDCR-VNQPRFMTSA-N 365.437 1.922 0 50 FDAA COc1cncc([C@H](NC(=O)c2nc3cccnc3[nH]2)[C@H]2C[C@H](O)C2)c1 244708114 KNQRXFJOSJZQPJ-IXPVHAAZSA-N 353.382 1.604 0 50 FDAA Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1 244691617 JFZBDVRTKNKVJY-NTZNESFSSA-N 370.862 1.567 0 50 FDAA COc1cc(OC)c(C(=O)N2C[C@H](O)[C@@H](N3CCCCC3)C2)cc1OC 244872877 WGARRHIORPSLJK-GJZGRUSLSA-N 364.442 1.384 0 50 FDAA CCOCC(=O)N1CCC(C(=O)N[C@@H](C)c2cn3ncsc3n2)CC1 244866334 VUFFHKNSVBXYNC-NSHDSACASA-N 365.459 1.243 0 50 FDAA O=C1NCC2(CCN(C(=O)C[C@@H]3CN(Cc4ccccc4)CCO3)CC2)O1 244734619 NIZAMOONRZEKQD-QGZVFWFLSA-N 373.453 1.379 0 50 FDAA COc1nc2c(cc1C(=O)N[C@H](c1cnn(C)c1)[C@H]1C[C@H](O)C1)CCC2 252536865 JRPHYQQOJDZZPU-JDFRZJQESA-N 356.426 1.554 0 50 FDAA COc1ccccc1N1C[C@H](C(=O)NCc2cc(C(=O)O)c(C)o2)CC1=O 299753123 WXFNJTADWJIEES-GFCCVEGCSA-N 372.377 1.964 0 50 FDAA CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(F)cc1Cl 253471587 VPESOQVTMAZGER-SNVBAGLBSA-N 369.780 1.608 0 50 FDAA COc1ccc(S(=O)(=O)N2CC[C@H](O)[C@H](C(=O)O)C2)c2c1CCCC2 1940196510 PCMCZVGGKVFTHF-KGLIPLIRSA-N 369.439 1.030 0 50 FDAA Cc1ccc(CN2CCN(C(=O)C3(Cn4ccnc4)CC3)CC2=O)cc1 299793508 HGLSMIKQOKVKHZ-UHFFFAOYSA-N 352.438 1.843 0 50 FDAA O=C(c1cccnc1)N1CCC(N2CC[C@H]3OCc4cnnn4[C@H]3C2)CC1 299772115 YDWULKRXRVFBBS-ZWKOTPCHSA-N 368.441 1.124 0 50 FDAA CO[C@@H]1CCCN(C(=O)c2cccc(-c3c(C)nn(CC(N)=O)c3C)c2)C1 299800825 JAHPOCTXQYGLSY-QGZVFWFLSA-N 370.453 1.903 0 50 FDAA Cc1sc2nc(CCNC(=O)COC[C@H]3CCCO3)nc(O)c2c1C 299793664 IBIIOKYKSBWKRA-GFCCVEGCSA-N 365.455 1.868 0 50 FDAA COc1cccc(C(=O)N2CC(N3C[C@@H](c4nc(C)no4)CC3=O)C2)c1 864677176 KOIDVBQRVZMNRF-ZDUSSCGKSA-N 356.382 1.227 0 50 FDAA O=C1COc2cc(C(=O)NCc3nc(-c4ccccn4)no3)ccc2N1 670443595 ULLIKBZARDWMPT-UHFFFAOYSA-N 351.322 1.393 0 50 FDAA C=CC(=O)N1CCN(C(=O)[C@@H]2Cc3ccc(Cl)cc3C(=O)O2)[C@@H](C)C1 1875381418 UINIQDNHRUETQE-NHYWBVRUSA-N 362.813 1.667 0 50 FDAA O=C(N[C@@H]1CCNC[C@H]1O)c1nccnc1-c1nc2ccccc2s1 1875329077 COYMECATFQRFTK-ZYHUDNBSSA-N 355.423 1.206 0 50 FDAA Cc1ccc(C(=O)N[C@@H](CC(=O)NS(C)(=O)=O)c2ccccc2)cc1 1875390622 GDOBHIYFHLRIFZ-INIZCTEOSA-N 360.435 1.932 0 50 FDAA C=CC(=O)N1CCC(C(=O)N=c2[nH]n(CC(F)(F)F)cc2Cl)CC1 1875367100 DHHKOEWTYIARJH-UHFFFAOYSA-N 364.755 1.884 0 50 FDAA COc1ccc(C(=O)N2CC[C@]3(NC(=O)c4cnc[nH]4)CCC[C@@H]23)cc1 1875333694 HZCDFRVFUPDGGE-VQIMIIECSA-N 354.410 1.986 0 50 FDAA COCCOc1ccnc(N2CC[C@@H](C3CC3)[C@H]2c2nnc(O)n2C)n1 1875400094 QNJLXUYSWZIRJU-JSGCOSHPSA-N 360.418 1.314 0 50 FDAA Cc1nnc(N2CCC3(CC(NC(=O)CCc4cc[nH]n4)C3)C2)nc1C 1875406585 HTWIRZBULUHDCO-UHFFFAOYSA-N 355.446 1.319 0 50 FDAA Cc1c[nH]ccc1=NCCNS(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C 885939066 QHVRCROEOPBKFY-RDTXWAMCSA-N 365.499 1.539 0 50 FDAA Cc1cc(NC(=O)[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2nccn2C)n(C)n1 886088882 NZTRQEILJQPRSI-BBRMVZONSA-N 356.430 1.543 0 50 FDAA CN(C)Cc1cc(O[C@@H]2CCN(C(=O)c3cccc(=O)n3C)C2)ccn1 886095531 ZEUFWVQUICAHQE-MRXNPFEDSA-N 356.426 1.135 0 50 FDAA O=C(COc1cccnc1)N[C@H]1COCC[C@@H]1Oc1ccc(CO)cc1 1565530195 SWDZVGUVOYKGNX-ROUUACIJSA-N 358.394 1.305 0 50 FDAA O=C(Cn1nc2ccccc2n1)N[C@H]1COCC[C@@H]1Oc1ccccn1 1565506550 HTRZIDCPIBKTTA-HOTGVXAUSA-N 353.382 1.179 0 50 FDAA O=C1Nc2ccccc2O[C@H]1CC(=O)N1CCN(c2ncc(F)cn2)CC1 273581228 QMZIQKIRRZVKHC-HNNXBMFYSA-N 371.372 1.054 0 50 FDAA CCC[C@H]1CN(C(=O)C(=O)N2[C@@H](C)CCC[C@H]2C)CCN1CCOC 170598517 GLDSXSMVVWMRMG-BBWFWOEESA-N 353.507 1.735 0 50 FDAA Cc1nc(Cl)sc1C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 170651908 DXOMJHIBUJGXDW-VIFPVBQESA-N 353.835 1.764 0 50 FDAA CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)OCCn1cncn1 170620487 RNRRDBVNGDZXOM-HNNXBMFYSA-N 358.398 1.525 0 50 FDAA C[C@@H]1CN(c2ccnc(C(=O)NCC(=O)NC3CCCCC3)c2)C[C@@H](C)O1 188802113 OKAJMIUBWLBDFC-HUUCEWRRSA-N 374.485 1.874 0 50 FDAA CC1(C)CCC(C)(C)c2cc(C(=O)NS(=O)(=O)CC(N)=O)ccc21 408477565 OHQYGDHQGBRLFU-UHFFFAOYSA-N 352.456 1.581 0 50 FDAA COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(N2CCCC2)nn1 225519688 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CC(=O)c1c(C)nn(CCC(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c1C 1857727590 VNSBPLAPJMDBDG-BEFAXECRSA-N 374.441 1.042 0 50 FDAA Cc1sc2nc(CCNC(=O)[C@H]3CCc4ncnn4C3)nc(O)c2c1C 1857731128 AHWVYFFPRPJUPM-NSHDSACASA-N 372.454 1.527 0 50 FDAA COc1ccc(-c2noc(N3CCC[C@H](S(=O)(=O)N(C)C)C3)n2)cc1 450531934 VKYQQNOBTPTJNU-AWEZNQCLSA-N 366.443 1.605 0 50 FDAA CS(=O)(=O)c1ccc(CN2CCC[C@@]3(CCc4cnc(N)nc43)C2)cc1 1704307562 ACTCJDDIXFGLQQ-LJQANCHMSA-N 372.494 1.942 0 50 FDAA CC(C)c1noc([C@]23CCC[C@H]2CN(c2cc(=O)n(C)c(=O)n2C)C3)n1 853714878 BHMRXRWZPMPNPC-SGTLLEGYSA-N 359.430 1.149 0 50 FDAA CN(C)CCn1cc(C(=O)N2CC[C@@H](c3nn[nH]n3)C2)c2ccccc21 2325769859 BENJEXIIYXCXPA-CYBMUJFWSA-N 353.430 1.346 0 50 FDAA CCN1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc3c(c2)NC(=O)C3)CC1=O 899817342 HOZZFDMCJYKHCO-GOEBONIOSA-N 370.453 1.453 0 50 FDAA Cc1nc2ncnn2c(C)c1CCC(=O)NCc1cccc2ncnn12 2356140226 ZLHKEUIMIJZNTA-UHFFFAOYSA-N 350.386 1.033 0 50 FDAA CC(C)[C@H](O)c1nnc2ccc(C(=O)NCc3nc4ncccc4o3)cn12 2356157369 HRZWVIRIFNNXOS-HNNXBMFYSA-N 366.381 1.885 0 50 FDAA CNS(=O)(=O)CC(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 282143188 ZSIWVWKGFOEZAJ-MGCOHNPYSA-N 351.255 1.905 0 50 FDAA O=c1c2cnc3nc(-c4ccncc4)nn3c2ccn1Cc1cccnc1 9422413 WPBDXGJTLOGGMH-UHFFFAOYSA-N 355.361 1.945 0 50 FDAA Cc1ncc2c(c1-c1noc(C3CCOCC3)n1)CCN(C(=O)[C@@H](C)N)C2 23158768 AKQQVMYEMUKCCV-LLVKDONJSA-N 371.441 1.566 0 50 FDAA COc1ccccc1CN(Cc1cccnc1)C(=O)CCn1cnnn1 55252455 XKAKGOPQECBCPA-UHFFFAOYSA-N 352.398 1.696 0 50 FDAA COc1ccccc1C(=O)Nc1ccnn1C1CCN([C@H](C)C(N)=O)CC1 67742483 DGWZLAKMBAWCRV-CYBMUJFWSA-N 371.441 1.655 0 50 FDAA Cc1nc2c(c(=O)n1C)CCN(C(=O)Nc1ccc3c(c1)OCO3)CC2 65535109 JMUALSLWFAJAQG-UHFFFAOYSA-N 356.382 1.450 0 50 FDAA O=C(O)CCc1cc2n(n1)CCCN(C(=O)c1c[nH]c(=O)c(Cl)c1)C2 72428057 GOEIDWQACGFUGB-UHFFFAOYSA-N 364.789 1.288 0 50 FDAA O=C([C@@H]1CCCN1C1CCNCC1)N1CCN(CCc2ccccc2)CC1 216064560 BTDMGUVCLSHWTJ-NRFANRHFSA-N 370.541 1.590 0 50 FDAA O=C([C@H]1CCOC1)N1CCc2ccc(S(=O)(=O)N3CCCC3)cc2C1 77300046 UJFPUAYOAUUJPK-HNNXBMFYSA-N 364.467 1.392 0 50 FDAA CC(C)n1cc(C(=O)N2CCN(C(=O)COc3ccccc3)CC2)cn1 77353482 QUBXXANGRNCYKE-UHFFFAOYSA-N 356.426 1.827 0 50 FDAA COCCNC(=O)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 67973940 MPWSVUGVMTWOKY-GOSISDBHSA-N 360.502 1.521 0 50 FDAA O=C1O[C@@H]2CN(Cc3ccc(O)cc3)C[C@@H]2N1CCCN1CCOCC1 67881432 RRGZHGOTGVZACB-ZWKOTPCHSA-N 361.442 1.120 0 50 FDAA CC(=O)N1CCc2nc(C)nc(N(C)C[C@@H](O)c3ccccc3)c2CC1 65489569 KEIWYERTORKSIJ-LJQANCHMSA-N 354.454 1.902 0 50 FDAA CN1C[C@@H](N)C[C@H]1C(=O)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 67754341 MMGOVMSWAOVOFP-IRXDYDNUSA-N 368.437 1.207 0 50 FDAA Cc1ncc(CO)c(Cn2cc(-c3ccc4c(c3)OCCO4)nn2)c1O 67641054 KHCHMFMPZKVSIG-UHFFFAOYSA-N 354.366 1.666 0 50 FDAA COc1ccc(F)cc1[C@@H](C)NC(=O)N1CCC(CS(N)(=O)=O)CC1 282581259 PDKJGCUMXBNNKM-LLVKDONJSA-N 373.450 1.605 0 50 FDAA CCN(CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)Cc1ccccn1 125357819 GSEATBXIAYMMDU-UHFFFAOYSA-N 374.466 1.140 0 50 FDAA CCCCN(C(=O)CN1CCCc2occc2C1)[C@H]1CCS(=O)(=O)C1 368565529 DRZLALDFCKCXSE-INIZCTEOSA-N 368.499 1.844 0 50 FDAA COc1cccc(CN2CCC[C@](O)(CNCc3cc(C)[nH]n3)C2=O)c1 67834100 QTGRMCJZHSIKRD-IBGZPJMESA-N 358.442 1.370 0 50 FDAA NCc1cc(=O)[nH]c(-c2cccc(CN3CCC[C@H]3Cn3ccnc3)c2)n1 39489891 VUVRVQWYUVGGKI-SFHVURJKSA-N 364.453 1.757 0 50 FDAA O=C(NCc1ccc(F)cc1)[C@H]1CCCN(c2ccc3nncn3n2)C1 32090520 VZKXOYQKXNJCJD-AWEZNQCLSA-N 354.389 1.796 0 50 FDAA CCN1C[C@]2(CCCN(C(=O)Cn3nc(C)c(C)cc3=O)C2)CCC1=O 72469316 ZBYSMTXYAZEQAH-IBGZPJMESA-N 360.458 1.111 0 50 FDAA COC(=O)N1CCCC[C@H]1C(=O)N1CCN(CCc2ccccc2)C(=O)C1 219718752 RBSTZCXKWATCCJ-KRWDZBQOSA-N 373.453 1.521 0 50 FDAA CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(-c2cnn(C)c2)no1 364246974 WKRQOZMMRAMJAM-SFHVURJKSA-N 351.410 1.748 0 50 FDAA CCN(CCNC(=O)N1CCO[C@H](c2nnc(C(C)C)o2)C1)C1CC1 366311868 GICVBBNVDJMJJL-AWEZNQCLSA-N 351.451 1.760 0 50 FDAA COc1ccccc1N1C[C@H](C(=O)N2CCO[C@H](c3ncon3)C2)CC1=O 329577199 KGQLFDTXHUOYKI-DOMZBBRYSA-N 372.381 1.031 0 50 FDAA O=S(=O)(c1ccc(CN2CC(F)(F)C[C@H]2CO)o1)N1CCCC1 366661993 KYPZUAZENITNNQ-NSHDSACASA-N 350.387 1.266 0 50 FDAA CCc1nc(N2CCC([C@H](O)c3nccn3C)CC2)c2cnn(C)c2n1 72146546 MYBJTNXQQKDJNV-HNNXBMFYSA-N 355.446 1.609 0 50 FDAA CC[C@H](Cn1ccnc1)NC(=O)C1CCN(C(=O)c2ccncc2)CC1 219552622 ZJEZHDYCRYEIJD-QGZVFWFLSA-N 355.442 1.725 0 50 FDAA Cn1nccc1[C@H]1OCC[C@@H]1NC(=O)CN1CCc2ccccc2C1=O 285492777 ODKAPLXTGASZNP-YJBOKZPZSA-N 354.410 1.065 0 50 FDAA Cn1nc(CN2CCC(NS(C)(=O)=O)CC2)c2c(Cl)cccc21 215763000 KZUDISKEQYJFIY-UHFFFAOYSA-N 356.879 1.740 0 50 FDAA O=C(c1cc(=O)[nH]c2ccccc12)N1CCC[C@H](C(=O)N2CCOCC2)C1 32300253 WFRRVZRTMZCOKT-AWEZNQCLSA-N 369.421 1.239 0 50 FDAA O=S1(=O)CCCN1C1CCN(Cc2cnc3ccc(Cl)cn23)CC1 333936402 KJTQNPLEWBZKSS-UHFFFAOYSA-N 368.890 1.988 0 50 FDAA O=C1NC(=O)[C@]2(CCN(C(=O)c3ccccc3Nc3ccccc3)C2)N1 377758473 GLOZZKSNVRKJRF-LJQANCHMSA-N 350.378 1.854 0 50 FDAA NC(=O)c1ccc(-c2nc3c(c(NC[C@@H]4CCOC4)n2)CCNC3)cc1 71757260 NJUVVGUKTQARMM-LBPRGKRZSA-N 353.426 1.337 0 50 FDAA CN(C)CCN1C[C@@H](C(=O)NC2CCN(c3ccccc3)CC2)CC1=O 74227478 OMTRVAANUYXLKV-INIZCTEOSA-N 358.486 1.182 0 50 FDAA Cc1cncc(C(=O)N2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1 71754414 VEVMOECEHWHGIZ-INIZCTEOSA-N 370.497 1.985 0 50 FDAA O=C(O)c1ccc(C(=O)N2CCN(c3ncnc4sccc34)CC2)o1 238017226 GXOKFYMAPABTFF-UHFFFAOYSA-N 358.379 1.945 0 50 FDAA O=C(CCSc1nnc(-c2ccncc2)o1)NCc1nnc2n1CCC2 222536780 MCLKTSLCDAEDOM-UHFFFAOYSA-N 371.426 1.468 0 50 FDAA Cn1c(CNC(=O)CC[C@@]2(CCC(=O)O)CCC(=O)N2)nc2ccccc21 222721816 NSCGLMRWJNUSLP-IBGZPJMESA-N 372.425 1.483 0 50 FDAA Cc1nn(C)c(C)c1CCC(=O)N(CCN1CCOCC1)Cc1ccco1 82098045 UVGNRKLDDKBAJD-UHFFFAOYSA-N 374.485 1.924 0 50 FDAA Cn1cc([C@@H](NC(=O)CCc2ccc3c(c2)OCO3)[C@H]2C[C@@H](O)C2)cn1 223049683 YWFFUWQIRJFUDF-RFUYNDQBSA-N 357.410 1.710 0 50 FDAA COc1cccc([C@H]2CCCN2C(=O)CCN2CCCS2(=O)=O)c1 193411936 KDVFAJJSDGSGKW-MRXNPFEDSA-N 352.456 1.784 0 50 FDAA NC(=O)c1ccc(-c2cccc(C(=O)N[C@H]3COC[C@@H]3N3CCCC3)c2)o1 426677355 CLNMCQACHFRZSC-HOTGVXAUSA-N 369.421 1.639 0 50 FDAA CCCn1ncc(C(=O)N[C@@H]2CCCCN(S(=O)(=O)CC)C2)c1C 82099100 GHMJYRLJVSXSTD-CQSZACIVSA-N 356.492 1.536 0 50 FDAA CN(C)C[C@H]1COCCN(C(=O)NCCc2cnn(-c3ccccc3)c2)C1 426594777 FAUQUYGFMYEZPH-GOSISDBHSA-N 371.485 1.634 0 50 FDAA CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H]1CN(CCCc1ccccc1)C2 91848890 GRGMLFSPDQHQLO-ZWKOTPCHSA-N 351.516 1.822 0 50 FDAA CCc1nnc(CNC(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)o1 96135832 JARZCVVZKUHBTQ-UHFFFAOYSA-N 369.403 1.334 0 50 FDAA Cc1csc2c(N3CCC(NCCc4n[nH]c(=O)[nH]4)CC3)ncnc12 95508601 BUANRWFFICKPOF-UHFFFAOYSA-N 359.459 1.212 0 50 FDAA CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)CN1CCC(C(N)=O)CC1 92065709 NRYGROXCLWJIPT-UHFFFAOYSA-N 355.442 1.232 0 50 FDAA NC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)NCCc2ccccc2)C1 95498003 ATTBFDDDCXUVTN-MRXNPFEDSA-N 355.442 1.500 0 50 FDAA CC(C)c1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2cnccn2)C3)[nH]n1 95392408 UIUYYCXKOJUCNA-UONOGXRCSA-N 368.441 1.700 0 50 FDAA Cc1cc(C(=O)N2CCC3(CCC(=O)N(CCc4c[nH]cn4)C3)CC2)on1 92028539 YSEFAWFSCMHJGV-UHFFFAOYSA-N 371.441 1.794 0 50 FDAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)CNC(=O)N(C)C)C3)cc1 96154045 DCHHTTSHXVWECD-UHFFFAOYSA-N 357.414 1.241 0 50 FDAA Cc1nccn1CCC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccc3c(c2)OCO3)C1 91444528 UHJBMQQBYZGRIQ-LSDHHAIUSA-N 371.393 1.637 0 50 FDAA O=C(CN1CCOCC1)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1 91645618 WPGPIYYMMBVFPZ-QGZVFWFLSA-N 369.469 1.365 0 50 FDAA CC(C)c1noc(CCC(=O)N(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)n1 330910828 PUKRDJOMVWQOFW-STQMWFEESA-N 357.476 1.940 0 50 FDAA Cc1cc(C)n([C@@H]2CCN(C(=O)Cn3ncc(N4CCCC4)cc3=O)C2)n1 95512911 YHOOYAHUMDKDKE-MRXNPFEDSA-N 370.457 1.130 0 50 FDAA COc1cccc([C@@H]2CN(C(=O)CCCn3cncn3)C[C@H]2C(=O)O)c1 91452364 VQBMRRWQUQVYKA-JKSUJKDBSA-N 358.398 1.394 0 50 FDAA CCCn1nccc1S(=O)(=O)N1CC[C@]2(CCCN(C(C)C)C2=O)C1 91305743 MHHYQPIMNPAHOH-QGZVFWFLSA-N 368.503 1.705 0 50 FDAA COCC(=O)N1CCC[C@H](C(=O)N2CC(OCc3ccccc3C)C2)C1 95500681 MTQINTULIRMXGH-INIZCTEOSA-N 360.454 1.607 0 50 FDAA O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCn1cncn1)C2 91663377 IWPAZZVMJZJQHM-DOTOQJQBSA-N 353.426 1.431 0 50 FDAA CSCCN(C)S(=O)(=O)c1cccc(C(=O)N2CCN[C@H](C)C2)c1 97775916 HTVDQKMZJQRKIA-CYBMUJFWSA-N 371.528 1.104 0 50 FDAA COCCn1ccnc1C1CCN(c2nnnn2-c2ccccc2)CC1 91907079 QNKYEZOVHSFZPB-UHFFFAOYSA-N 353.430 1.889 0 50 FDAA COC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)Cc2ccon2)c1 95377127 GLFKBVHSQPYQHZ-GFCCVEGCSA-N 367.427 1.260 0 50 FDAA c1cnnc(N2CCC(c3nnc(Cn4cncn4)n3C3CC3)CC2)c1 91635660 IRTJOOWVPXSRNO-UHFFFAOYSA-N 351.418 1.427 0 50 FDAA CS(=O)(=O)N1C[C@H](C2CC2)[C@@H](NC(=O)CCCc2ccccc2)C1 91725772 JREMNDYTVZHDDY-SJORKVTESA-N 350.484 1.796 0 50 FDAA CCCn1ccnc1CN1C[C@@H](CN2C[C@H](C)O[C@H](C)C2)[C@@H](CO)C1 92061767 CXEJJLLPWROXAA-XMTFNYHQSA-N 350.507 1.443 0 50 FDAA C[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCc2n[nH]c(N)n2)C1 91636912 KWHXALTZZMRAPX-SFHVURJKSA-N 357.414 1.530 0 50 FDAA COCCCN1CC[C@H](CNC(=O)c2cnc(C(C)(C)C)[nH]c2=O)C1 91445142 BJPOTMISLLPJHL-CYBMUJFWSA-N 350.463 1.156 0 50 FDAA CC[C@@H](COC)NC(=O)c1cccc(S(=O)(=O)NC2CCOCC2)c1 95362429 UWMNZVGYOIPZJC-AWEZNQCLSA-N 370.471 1.299 0 50 FDAA COc1ccc2[nH]c(CCN(C)CCCS(=O)(=O)N(C)C)nc2c1 244795692 RLXRJOXICRDBJC-UHFFFAOYSA-N 354.476 1.327 0 50 FDAA Cc1cccn2c(CC(=O)N[C@H](c3cnn(C)c3)[C@H]3C[C@@H](O)C3)cnc12 243902124 BGIJTFCVLXCVBU-XCRHUMRWSA-N 353.426 1.547 0 50 FDAA CCN1CCC[C@]2(CCN(C(=O)c3cn([C@H]4CC[C@@H](N)CC4)nn3)C2)C1=O 244866668 WAJPXSLKRNJXEG-ZRGWGRIASA-N 374.489 1.195 0 50 FDAA NC(=O)c1cnn2c1C[C@H](CNc1ncnc3cc(F)c(F)cc13)CC2 299745317 XWICLFWRLAAJEK-SECBINFHSA-N 358.352 1.878 0 50 FDAA CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)[C@@H]1C[C@@H]1C(=O)O 299752940 WBRFXKMOSICEQQ-KGLIPLIRSA-N 355.412 1.038 0 50 FDAA CC[C@@H](C)[C@@H](NC(=O)CCc1ccc2c(c1)nc(O)c(=O)n2C)C(=O)O 252535620 GLSFMMUKXMHICG-MEBBXXQBSA-N 361.398 1.187 0 50 FDAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2ccnc3ccccc23)c1O 253623888 RZUCGRNBCKIFMC-LBPRGKRZSA-N 367.361 1.835 0 50 FDAA biogenic COCCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2cc(Cl)c[nH]2)C1 252537023 KEOORHVGDHOQSO-HOMQSWHASA-N 353.810 1.074 0 50 FDAA O=C(CNC(=O)N(CCCO)Cc1ccc(Cl)cc1)N1CCCC1 534663340 YJBCRVJQXRZRQB-UHFFFAOYSA-N 353.850 1.856 0 50 FDAA Nc1nnnn1CC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 299795644 LVISLVJMGTWPDS-LLVKDONJSA-N 357.201 1.162 0 50 FDAA COc1ccccc1N1C[C@@H](NC(=O)c2nn(C)c3c2CCCC3)CC1=O 299786345 WULPMIMDGTWFQT-ZDUSSCGKSA-N 368.437 1.843 0 50 FDAA Cc1cnn([C@H](C)C(=O)NCc2cc3n(n2)CCN(C(=O)C2CCC2)C3)c1 299759647 NSKHFMJZCYBDGF-CQSZACIVSA-N 370.457 1.408 0 50 FDAA O=C(c1ccc(-n2ccnc2)cc1)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 299758496 LSCQWVGACZDRLA-IRXDYDNUSA-N 350.382 1.450 0 50 FDAA Cc1ccc(N(CC(=O)NCc2noc(C(C)C)n2)S(C)(=O)=O)cc1 827825769 NFJCGZMUIFXDIX-UHFFFAOYSA-N 366.443 1.584 0 50 FDAA CCCn1cc(S(=O)(=O)NCc2nncn2C2CCCCC2)cn1 823033516 YQCSQONHXGHWCQ-UHFFFAOYSA-N 352.464 1.868 0 50 FDAA CCn1cc(CN2CCC3(CC2)CN(C(=O)CSC)CCO3)cn1 824881586 NFQWUNIUMAUSKA-UHFFFAOYSA-N 352.504 1.459 0 50 FDAA CN(C)c1ncc(/C=C/C(=O)N2CCN(Cc3cccnc3)CC2)cn1 827948430 MYRMGDRYGALTNB-AATRIKPKSA-N 352.442 1.295 0 50 FDAA O=S(=O)(NCCN1CCC[C@@H](CO)C1)c1ccc(F)c(Cl)c1 670439972 GGXAIKKTPDPZMT-LLVKDONJSA-N 350.843 1.462 0 50 FDAA C=CC(=O)N(C)CC(=O)NC[C@](O)(C1CCC(F)(F)CC1)C(F)(F)F 1875379986 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CC/C=C(\C)C(=O)N1CCN(CCNC(=O)c2ccc(OC)cc2)CC1 210005227 DGWBGHFZLQZLBY-FZSIALSZSA-N 359.470 1.926 0 50 FDAA COc1ccccc1[C@@H]1CCCN1C(=O)CCN1CCCS1(=O)=O 171194586 JNCBQKKRFNSBQL-HNNXBMFYSA-N 352.456 1.784 0 50 FDAA CS(=O)(=O)C[C@@H](NCCc1ccn(-c2ccc(F)cc2)n1)C1CC1 225408956 SNYQQPHMEHBHLU-QGZVFWFLSA-N 351.447 1.967 0 50 FDAA COc1ccc(C(=O)Nc2nnc(CCN(C)C)s2)c(OC)c1OC 1529191362 XMMZAWWKWCYDFF-UHFFFAOYSA-N 366.443 1.920 0 50 FDAA Cc1cc2nc(C(=O)N[C@@H]3COC[C@H]3Cc3ccncc3)cc(C)n2n1 1704353290 DPRGTMUTIQZMOB-NVXWUHKLSA-N 351.410 1.729 0 50 FDAA Cc1cccn2c(CC(=O)N3CCCN(c4cnccn4)CC3)cnc12 1772804529 AHRNPLYJPNHFHU-UHFFFAOYSA-N 350.426 1.714 0 50 FDAA COc1cc(C(=O)N2CCO[C@@]3(C[C@@H]4CC[C@H](C3)N4)C2)cc(OC)c1O 1772706099 LWTFOFSZNJLDEI-BDQBCWGISA-N 362.426 1.535 0 50 FDAA CC(C)S(=O)(=O)N1C[C@H]2[C@@H](C1)OC(=O)N2CCc1ccc(F)cc1 12075825 HWPDZVLRWYMDFG-LSDHHAIUSA-N 356.419 1.611 0 50 FDAA COc1cccc(C[C@H]2CN(S(=O)(=O)CC(F)(F)F)CCO2)c1 12438273 MJWUVPDQBMLKKR-ZDUSSCGKSA-N 353.362 1.831 0 50 FDAA 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COc1cccnc1C(=O)N[C@H]1CCCCN(C(=O)Cc2cc[nH]c2)C1 1875406378 CBVWGJLAQVDSRG-HNNXBMFYSA-N 356.426 1.772 0 50 FDAA CCOC1C[C@@H]2CC[C@H](C1)N2c1nnnn1CCCN1CCCNC1=O 1875282983 AGOBKQOGQMLSCK-YIONKMFJSA-N 363.466 1.015 0 50 FDAA CCn1c(=O)n(CC(=O)N2CC[C@@H](O)[C@@]23CCSC3)c2ccccc21 1875268063 GWEFSRNFUOEDRR-QAPCUYQASA-N 361.467 1.292 0 50 FDAA Cc1cc(C)c2[nH]c(=N[C@@H](C)CNC(=O)CSCC(N)=O)sc2c1 1875333444 VKYCZYJCECRJLM-NSHDSACASA-N 366.512 1.470 0 50 FDAA O=C(CC1CCC1)N1CC[C@@H]([C@H]2CCCN(C(=O)Cn3cncn3)C2)C1 1875322156 KMCSCDRNRNSDPF-DLBZAZTESA-N 359.474 1.555 0 50 FDAA O=C(C(F)F)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 1875339599 PWUYMTREEUCBTL-UHFFFAOYSA-N 373.367 1.183 0 50 FDAA CC(C)Cc1cc(C(=O)NCCNC(=O)c2ccc(F)cc2)nc(O)n1 952975387 RHNZZSGPONZQEH-UHFFFAOYSA-N 360.389 1.680 0 50 FDAA CCNS(=O)(=O)[C@@H]1CCN(C(=O)Cc2csc3ccccc23)C1 271648967 ZGYXPZOCYCBZGN-CYBMUJFWSA-N 352.481 1.984 0 50 FDAA CN(C)C(=O)N1CC[C@@]2(O)CCN(C(=O)c3ccc(N(C)C)cc3)C[C@H]2C1 1565525155 UQOMDDPWSYTQRU-JXFKEZNVSA-N 374.485 1.333 0 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O=C(c1cccc(F)c1)N1C[C@H](CO)[C@H](CN2CCC(CO)CC2)C1 95374605 SNUQDROSXVUEDB-IAGOWNOFSA-N 350.434 1.211 0 50 FDAA O=C([C@H](c1cccnc1)N1CCOCC1)N1CCC(c2ncon2)CC1 426580906 CLLTXNUQTWRCKA-INIZCTEOSA-N 357.414 1.244 0 50 FDAA Cc1cc2[nH]c(CN3C[C@H]4CC[C@@H]3CN(C3CCOCC3)C4)cc(=O)n2n1 91412072 SOUZBAWVPZRFQH-CRAIPNDOSA-N 371.485 1.406 0 50 FDAA CN1CCC2(CC1)CC(=O)N(CC(=O)N(C)CCCOc1ccccc1)C2 95522050 XCOJYTLCQWKCSR-UHFFFAOYSA-N 373.497 1.858 0 50 FDAA CC(C)(C)N1C[C@H](C(=O)N2CCCN(Cc3ccccn3)CC2)CC1=O 91650152 APSJMZJGFOYERZ-MRXNPFEDSA-N 358.486 1.763 0 50 FDAA Cc1nc(CN2CCN([C@H](C(=O)O)c3c(C)noc3C)CC2)cs1 95354395 HSSPDCXGKAOJCK-HNNXBMFYSA-N 350.444 2.000 0 50 FDAA Cc1cc(C)n(C2CN(C(=O)[C@@H]3CC(=O)N(Cc4ccncc4)C3)C2)n1 95502421 VSCWIZOUMQFIKZ-MRXNPFEDSA-N 353.426 1.327 0 50 FDAA Cc1ccc(CNC(=O)c2nnc(CN3CCC[C@H]3C(=O)O)s2)cc1 237758591 BWIHNSAMNZIEEH-ZDUSSCGKSA-N 360.439 1.826 0 50 FDAA Cc1cnccc1CN1C[C@H]2CN(C(=O)C3CCCC3)C[C@@]2(C(=O)O)C1 96161032 VMTHPLIGNUPDDE-PXNSSMCTSA-N 357.454 1.925 0 50 FDAA CC(=O)c1c(C)nn(CCc2nc(CC(N)=O)nn2-c2ccccc2)c1C 96161070 HBJSQUPXAQMTFQ-UHFFFAOYSA-N 366.425 1.554 0 50 FDAA C[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O 299330784 JKFISMDQCOTMPV-XJKSGUPXSA-N 355.394 1.315 0 50 FDAA Cc1oc(CN(C)C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)cc1C(=O)O 299747278 CKXRKVQSKZWUCE-CYBMUJFWSA-N 371.393 1.688 0 50 FDAA NC(=O)C1CCN(CCC(=O)N[C@H](c2ccccc2)[C@H]2C[C@@H](O)C2)CC1 252552495 UTIAQCJFHNRZIL-ZIFCJYIRSA-N 359.470 1.202 0 50 FDAA COc1ccnc(N2CCN(C(=O)/C=C/c3ccc(C(=O)O)cc3)CC2)n1 268927422 WQBUMDBFPOGGCZ-QPJJXVBHSA-N 368.393 1.545 0 50 FDAA Cn1cc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c(O)nc1=O 299777481 OQZWNXAFZAZCDD-UHFFFAOYSA-N 363.801 1.823 0 50 FDAA CCN1CCCC[C@H]1C(=O)N1CCc2c(c(C(=O)O)nn2CC2CC2)C1 67587438 FBKRIYIGSAILEH-INIZCTEOSA-N 360.458 1.750 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccon2)CN1CCOc1ccccc1 96149018 RBSVQTASHQUKPB-YOEHRIQHSA-N 372.425 1.062 0 50 FDAA CN(CCC(=O)N1CC[C@H](C2CC2)[C@@H]1c1nnc(O)n1C)c1ccncc1 1875401060 DRQHCCVDERJQPZ-NVXWUHKLSA-N 370.457 1.742 0 50 FDAA O=C(Cc1ccc(-n2ccnc2)cc1)N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O 1875402800 LVMMPXSCGLEWBU-BHIYHBOVSA-N 365.437 1.567 0 50 FDAA CCn1[nH]c(C)nc1=NC(=O)[C@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 1875265984 FOXZKOQUNZMGSD-LBPRGKRZSA-N 373.413 1.037 0 50 FDAA Cc1ccccc1[C@@H](C(=O)NC[C@@H](O)Cn1ccnn1)c1ccccc1 1875274308 IBICKOFTHFJYRV-MJGOQNOKSA-N 350.422 1.896 0 50 FDAA Cn1nc(C2CCCC2)cc1C(=O)N1CCC[C@@]2(C1)NC(=O)C(C)(C)O2 1875308658 QKHMLPWDYDUFED-LJQANCHMSA-N 360.458 1.935 0 50 FDAA Cn1ccc(N2CC[C@H](NC(=O)[C@@H](N)c3ccc(C(F)(F)F)cc3)C2)n1 1875315317 OZPLPYGLFSMWCO-ZFWWWQNUSA-N 367.375 1.834 0 50 FDAA CC[C@H](C(=O)N=c1[nH][nH]c2cc(C)n(C)c(=O)c12)c1ccc2c(c1)OCO2 1875322096 IDPVYDYYGQTLAX-LBPRGKRZSA-N 368.393 1.853 0 50 FDAA CCNC(=O)c1ccc(NC(=O)CN2CCCN(C)CC2)cc1Cl 952982456 PNGKXNJAFVDUNY-UHFFFAOYSA-N 352.866 1.666 0 50 FDAA Cc1nc(N(C)C)ncc1C(=O)Nc1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 952974131 LGUNHEQHWIIAEC-LLVKDONJSA-N 355.398 1.847 0 50 FDAA C[C@@H]1CCC(=O)N1c1cccc(NC(=O)[C@@H]2CCCN(CC(N)=O)C2)c1 952978222 PVRCJWCAVYLMLF-ZIAGYGMSSA-N 358.442 1.338 0 50 FDAA O=C(N[C@H](CCn1cncn1)c1ccccc1)c1cnc2ccccn2c1=O 952969182 SGXVFOMAMWLBMO-QGZVFWFLSA-N 374.404 1.847 0 50 FDAA CC(C)CN1CCN(C2CCN(C(=O)C3CCC3)CC2)C[C@H]1CCO 952968567 MGWRHIIZHIXVQE-LJQANCHMSA-N 351.535 1.802 0 50 FDAA Cn1cnnc1C[C@]1(O)CCCN(C(=O)C/C=C/c2ccc(F)cc2)C1 886095202 NTVOXAOHDNCMFT-NLJSWGTCSA-N 358.417 1.954 0 50 FDAA NC(=O)[C@@]1(N2CCN(Cc3ncc(Cl)cc3Cl)CC2)CCOC1 886093434 PRDYIWTZPLMKOU-OAHLLOKOSA-N 359.257 1.150 0 50 FDAA Cn1cnnc1C[C@]1(O)CCCN(Cc2ccn(-c3ccccc3)n2)C1 886088596 KJLOIJZPGLOPFC-LJQANCHMSA-N 352.442 1.570 0 50 FDAA CC(=O)N1C[C@@H](NC(=O)c2ccc3nncn3c2)CC[C@@H]1C(F)(F)F 886035418 WCDRNJHPERDMIA-NWDGAFQWSA-N 355.320 1.401 0 50 FDAA CCc1nnc(CN2CC[C@H](Oc3ccnc(CNC(C)=O)c3)C2)n1C 886068831 WOQFLXNYPOLJLI-INIZCTEOSA-N 358.446 1.062 0 50 FDAA O=C(c1c[nH]nc1[C@H]1CCNC1)N1CC[C@@H](n2ncc3ccccc32)C1 888101481 BRAMBVNWLLIKJD-LSDHHAIUSA-N 350.426 1.924 0 50 FDAA O=S(=O)(CCCN1CCOCC1)N1CCO[C@H](c2ccccc2)C1 274222234 ROLJEIUUYAKCFX-KRWDZBQOSA-N 354.472 1.112 0 50 FDAA Cc1nn(CCC(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)N(C)C)C3)c(C)c1C 1073367246 DTLZHYJAYKJFKU-SJORKVTESA-N 361.490 1.803 0 50 FDAA Cc1ccc(S(=O)(=O)N(C)[C@@H](C)CN2CCOCC2)c2cccnc12 278713969 KRWKZTSAGAJNAC-HNNXBMFYSA-N 363.483 1.884 0 50 FDAA Nc1c(N2CCC(NC(=O)C3CCCCC3)CC2)ncnc1-n1cccn1 301712849 YONFSJDJVPPXJV-UHFFFAOYSA-N 369.473 1.910 0 50 FDAA O=C(NS(=O)(=O)C[C@@H]1CCCCO1)c1ccc2c(c1)OCCCO2 407989500 JOMKYUIYFYXSFF-ZDUSSCGKSA-N 355.412 1.477 0 50 FDAA CC(C)C[C@H]1C(=O)NCCN1S(=O)(=O)Cc1cccc2cccnc12 188902987 KHVPZMYVKFDMKX-INIZCTEOSA-N 361.467 1.911 0 50 FDAA O=S(=O)(NCCN1CCCOCC1)c1ccccc1Br 189089552 JUHZOALVRSQOHX-UHFFFAOYSA-N 363.277 1.450 0 50 FDAA C[C@@H]1CN(C(=O)NCc2cn(C)nc2C(F)(F)F)CCS(=O)(=O)C1 192199435 QTTIWDJZAOSJLZ-SECBINFHSA-N 368.381 1.015 0 50 FDAA O[C@]1(c2nc(-c3cnc4cnccn34)no2)CCN(Cc2ccccc2)C1 771545842 YSECBTPPPTVQGQ-LJQANCHMSA-N 362.393 1.873 0 50 FDAA COc1ccc(OC)c([C@@H](C(=O)O)N2CCN(C(=O)c3ccco3)CC2)c1 1506421448 PTZGUJVXJKYEIR-KRWDZBQOSA-N 374.393 1.881 0 50 FDAA Cc1noc(C)c1CCC(=O)N1CCCN(Cc2cccnc2N)CC1 1529174158 PYHSZVQGGQKQRX-UHFFFAOYSA-N 357.458 1.936 0 50 FDAA COc1ccc(C(=O)N2C[C@@H](Cc3cc(C)no3)[C@@H](OC)C2)c(OC)n1 1529196419 ZPVNMJFRLHJGNF-DOMZBBRYSA-N 361.398 1.725 0 50 FDAA COCc1noc(CN2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)n1 1704341591 XGCTXAZBKHFBEQ-PBHICJAKSA-N 354.410 1.800 0 50 FDAA COc1ccc(-c2nnn(CC(=O)NCc3ccc(F)cc3)n2)cc1OC 783248 GDELBDQEKIYRHL-UHFFFAOYSA-N 371.372 1.813 0 50 FDAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCOC[C@@H](C(=O)O)C1 1775980707 HYXRFMRSALTWII-HNNXBMFYSA-N 357.410 1.591 0 50 FDAA COCCCCCC(=O)N1CCCN(C(=O)c2cc(C)nc(C)n2)CC1 1772705598 KBWQPOSHXIGJQC-UHFFFAOYSA-N 362.474 1.975 0 50 FDAA Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1C[C@@H]2COCC[C@]2(C(=O)O)C1 1772705800 NSZKKZBUBCZHRA-CJNGLKHVSA-N 371.459 1.193 0 50 FDAA O=C(NCc1cnn(Cc2ccccc2)c1)c1cn(C[C@H]2CCCO2)nn1 11815206 RUBZMSVUMOEDCU-QGZVFWFLSA-N 366.425 1.632 0 50 FDAA C[C@H]1NC(=O)[C@H]2CN(Cc3cnn(-c4ccccc4Cl)c3)CCN2C1=O 14743470 YMNQCYBHEFLTJE-MLGOLLRUSA-N 373.844 1.057 0 50 FDAA CSCCCNC(=O)C[C@H]1C(=O)NCCN1C1Cc2ccccc2C1 14977050 HZMQDGUDTMWSMF-KRWDZBQOSA-N 361.511 1.214 0 50 FDAA CCn1c(SCC(=O)N2CCOCC2)nnc1-c1ccc(OC)cc1 874102 KCXCYEZGKGEDKZ-UHFFFAOYSA-N 362.455 1.925 0 50 FDAA CCOC(=O)CNC(=O)c1ccc(OC)c(I)c1 2871531 ACIFEXOXZQNOTI-UHFFFAOYSA-N 363.151 1.593 0 50 FDAA O=C(CN1CCCCC1)N1CCC[C@]2(C1)CN(c1ncccn1)CC[C@H]2O 1857696403 YUWJTZBJBZWQIP-XLIONFOSSA-N 373.501 1.142 0 50 FDAA CC[C@]12COC(=O)N1CCN(C(=O)c1cc(OC)c(OC)c(OC)c1)C2 1857706809 RJADBXIOPWXWIZ-SFHVURJKSA-N 364.398 1.769 0 50 FDAA OCC[C@H]1CN2C[C@H](NC3CCN(c4ccccc4F)CC3)C[C@H]2CO1 1857720383 RGDXAIZHJFKBFM-SQNIBIBYSA-N 363.477 1.608 0 50 FDAA CCCCn1nc(CC(=O)NC)nc1[C@H]1CC[C@@H](OCCC)[C@H](N)C1 1857721808 HFTKAUSXEZBLTE-RRFJBIMHSA-N 351.495 1.757 0 50 FDAA Cc1cc(C)n(C[C@@H]2CN(c3ncc(Br)cn3)CCO2)n1 109129649 MVPOMHRPFQMWNF-ZDUSSCGKSA-N 352.236 1.958 0 50 FDAA NC(=O)c1cccnc1N1CCN(C(=O)C2(c3cccc(F)c3)CC2)CC1 115350517 OLWWSECFBUPEIY-UHFFFAOYSA-N 368.412 1.700 0 50 FDAA Cc1cc(C(=O)N2C[C@@H](O)C[C@H]2c2ccccc2)cc(S(N)(=O)=O)c1C 332009714 WOPIZVOVTHKUQG-IRXDYDNUSA-N 374.462 1.899 0 50 FDAA CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 737963897 XXGPTSKMPIKMOC-YIONKMFJSA-N 364.442 1.163 0 50 FDAA O=C(O)Cc1ccc(S(=O)(=O)NC2(C3CCOCC3)CC2)cc1F 1875392506 GDMNAEGZKPLPNZ-UHFFFAOYSA-N 357.403 1.690 0 50 FDAA N=c1nc(N2CC[C@@H](O)[C@](CCCc3ccccc3)(C(=O)O)C2)cc[nH]1 2100545166 REKFXQFVMKOWSR-DNVCBOLYSA-N 356.426 1.554 0 50 FDAA CCCCn1c(=O)c2c(nc3n(-c4ccccc4N)c(C)cn23)n(C)c1=O 10233432 MTFIZUVSDOLNBO-UHFFFAOYSA-N 366.425 1.829 0 50 FDAA CNS(=O)(=O)CCC(=O)Nc1c(O)cc(Br)cc1Cl 2325755007 LWCHPPMMUYFYSU-UHFFFAOYSA-N 371.640 1.686 0 50 FDAA O=C1N[C@@H](c2csc(Br)c2)C(=O)N2CC3(CCC3)OC[C@H]12 2325808943 BVNRXZXSCJBFSI-KOLCDFICSA-N 371.256 1.832 0 50 FDAA Cc1ccc(C(=O)OCC(=O)N2CCCC[C@@H]2C(N)=O)c2c1NCCC2 2325826909 PTHZBPRMZCHWKU-OAHLLOKOSA-N 359.426 1.376 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O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)NCCO 72144688 KDAUEQLCNRICDQ-LJQANCHMSA-N 367.449 1.153 0 50 FDAA CCOCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCC(F)(F)CC2)[C@H]3C1=O 77487725 VETDXZJGXPUVEC-WSMBLCCSSA-N 370.396 1.063 0 50 FDAA C[C@H](C1CCN(C(=O)c2c[nH]c(=O)c(Cl)c2)CC1)N1CCN(C)CC1 77319056 HOCYPBKUXCGWAV-CYBMUJFWSA-N 366.893 1.516 0 50 FDAA CN(C)S(=O)(=O)[C@@H]1CN(c2ncc(Cl)cn2)C[C@H]1C(F)(F)F 286542197 ZJHYSONRDWXVOQ-RKDXNWHRSA-N 358.773 1.389 0 50 FDAA COc1ccc(CN2CCn3nc([C@@H](O)c4nccn4C)cc3C2)c(F)c1 221304063 CAYUHNZFLMRYHG-GOSISDBHSA-N 371.416 1.862 0 50 FDAA CN(CCc1noc(C2CC2)n1)C(=O)c1cn(CC[C@@H]2CCCCN2)nn1 82120012 ALJYIVYDAQJRRL-AWEZNQCLSA-N 373.461 1.385 0 50 FDAA Cc1ccc(NC(=O)[C@@H]2CCCN(CC(=O)Nc3cc(C)nn3C)C2)nc1 177742766 OEBBBLIRHVVXAF-OAHLLOKOSA-N 370.457 1.721 0 50 FDAA CCCc1cc(C(=O)N2CCN(Cc3ccc(OC)cc3)C(=O)C2)n(C)n1 82116015 JXMDLSZTAQBPOM-UHFFFAOYSA-N 370.453 1.866 0 50 FDAA COc1cc(OC)nc(-c2cccc(C(=O)N3CCN(C)C(=O)C3)c2)n1 426533798 OIPXZPAAEIHINE-UHFFFAOYSA-N 356.382 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1.687 0 50 FDAA CCCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2nnc(CC)s2)C1 6743190 HBGGLYLDNINZGX-NSHDSACASA-N 360.505 1.881 0 50 FDAA O=C(Cc1ccoc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 119001313 DFWWKAVJMJWICI-UHFFFAOYSA-N 354.453 1.853 0 50 FDAA O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CCC(c2n[nH]c(=O)o2)CC1 225844721 PCOSZPAWUBLCKZ-HNNXBMFYSA-N 360.389 1.701 0 50 FDAA NS(=O)(=O)N1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 110685968 PYYBDYSRHNMBNF-UHFFFAOYSA-N 357.863 1.109 0 50 FDAA CN(C)C[C@H]1[C@@H]2CN(C(=O)c3ccccc3N3CCC(=O)NC3=O)C[C@H]12 102631371 DFOVDNMYIHPOBM-QKDCVEJESA-N 356.426 1.013 0 50 FDAA O=C(NCc1cccnc1N1CCC[C@H](O)C1)c1ccc2[nH]c(=O)[nH]c2c1 67946801 BDKMEHGQELVQTQ-AWEZNQCLSA-N 367.409 1.142 0 50 FDAA Cc1nc(NCCNS(=O)(=O)c2ccc(F)c(F)c2)cc(N(C)C)n1 65364432 MHFWNAOGLWEODO-UHFFFAOYSA-N 371.413 1.520 0 50 FDAA CC(=O)c1cccc(-n2c(Cn3cccn3)nnc2SCC(=O)O)c1 67489750 RADHPDFVAKTBBV-UHFFFAOYSA-N 357.395 1.891 0 50 FDAA CN1CC[C@@H](c2nc(-c3cccc(OCC(F)F)n3)no2)S1(=O)=O 351368277 LZRKOOXVFVLYAV-VIFPVBQESA-N 360.342 1.482 0 50 FDAA CCn1c([C@@H]2CCCN(Cc3cc(C)no3)C2)nn(CCN(C)C)c1=O 67655003 GINALFJITVJXDY-OAHLLOKOSA-N 362.478 1.302 0 50 FDAA CCCc1cc(C(=O)N2CCN(c3cc(C)nc4ncnn34)CC2)n(C)n1 77379582 VLNICKJASZKFEW-UHFFFAOYSA-N 368.445 1.081 0 50 FDAA COc1ccc(S(=O)(=O)N2CCN(c3ccc(C)nn3)CC2)cc1C 65364989 SFALDSWCLSYLAS-UHFFFAOYSA-N 362.455 1.613 0 50 FDAA COc1ccc(NC(=O)N2CCN(c3nc(N)ns3)CC2)cc1F 253426857 RUMJLJHOAASVEF-UHFFFAOYSA-N 352.395 1.622 0 50 FDAA Cn1cc(C[C@H]2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)C2)cn1 363171524 YXEFETZMDOODIZ-CQSZACIVSA-N 356.426 1.694 0 50 FDAA CNS(=O)(=O)c1ccc(CN2CCC(C(=O)N3CCCC3)CC2)cc1 71404248 JGCYBEFZBATQTL-UHFFFAOYSA-N 365.499 1.429 0 50 FDAA COc1ccc2c(c1)OCCN(C(=O)c1cn(C)nc1[C@@H]1CCOC1)C2 328683823 DRYDOFHTGWIDSW-CQSZACIVSA-N 357.410 1.967 0 50 FDAA COC(=O)C1CCC2(CC1)NC(=O)N(CC1(SC)CCOCC1)C2=O 431692583 PSDMQGULSQRYOR-UHFFFAOYSA-N 370.471 1.552 0 50 FDAA Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)CCn2cncn2)C1 331513808 SMIGAYFJSQKTKW-LLVKDONJSA-N 356.352 1.827 0 50 FDAA COc1cccc(CN2CC[C@@H](NC(=O)c3ccccn3)[C@H](O)C2)c1OC 77489767 ZXRTTZFHJPKEDQ-NVXWUHKLSA-N 371.437 1.464 0 50 FDAA COc1cc(NC(C)=O)ccc1NC(=O)c1ccccc1-n1cnnn1 435444790 SRPKBQRRTFQEPG-UHFFFAOYSA-N 352.354 1.882 0 50 FDAA O=C(CNC[C@H]1CCCO1)N(Cc1ccsc1)[C@@H]1CC12CCNCC2 261827827 ABBBTOINPAGSGP-IAGOWNOFSA-N 363.527 1.987 0 50 FDAA Cc1nc(N(C)C)nc(N2CCN[C@H](C(=O)Nc3ccc(F)cc3)C2)c1C 72157083 QNMIDMQAFIHQOT-INIZCTEOSA-N 372.448 1.715 0 50 FDAA O=C(O)CCc1cc2n(n1)CCCN(C(=O)C(=O)Nc1ccccc1)C2 72447771 PBKFAHCOGUVQOI-UHFFFAOYSA-N 356.382 1.271 0 50 FDAA CC(=O)N1CCc2c(nc(-c3ccncc3)nc2NCCc2ncc[nH]2)C1 71662912 LFQLKEJGFYCNRI-UHFFFAOYSA-N 363.425 1.821 0 50 FDAA COc1ccc(F)cc1C(=O)N1C[C@H](C2CC2)[C@@H](NS(C)(=O)=O)C1 219591239 ZGIPIVYSKVSHSY-KGLIPLIRSA-N 356.419 1.234 0 50 FDAA CCNC(=O)c1ccc(N2CCC(c3nnc(CN(C)C)n3C)CC2)nc1 77422324 RBJPKHXIPNXEBY-UHFFFAOYSA-N 371.489 1.405 0 50 FDAA O=C(CCN1CCCC1)N1CCC[C@@H](c2cc(N3CCOCC3)ncn2)C1 72426371 LHJRUYLIYOOQAX-QGZVFWFLSA-N 373.501 1.505 0 50 FDAA 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Cc1ccccc1CN1CC[C@@H](CN2CCn3nc(C(=O)O)cc3C2=O)C1 1875243255 YHWSQXMCKRIJAX-OAHLLOKOSA-N 368.437 1.868 0 50 FDAA O=C(CN1C[C@@H](O)[C@H](Cc2ccccn2)C1)N1CCOc2ccccc21 1875247424 VPWBFFOAFLEJIG-CRAIPNDOSA-N 353.422 1.342 0 50 FDAA COc1ccc([C@H]2[C@H](CO)OCCN2Cc2cccn(C)c2=O)cc1OC 1875247876 RVGTXCWOWTVCCK-OALUTQOASA-N 374.437 1.337 0 50 FDAA O=C(Nc1cnc2ccccn2c1=O)c1ccc(N2CCOCC2)cc1 1875247907 UETCOGDISVLCEO-UHFFFAOYSA-N 350.378 1.783 0 50 FDAA O=C(Cn1nnnc1CN1CCCCCC1)NC[C@@H]1C[C@@H]2C=C[C@@H]1C21CC1 210945384 RAGQQSWOJBUMPA-ULQDDVLXSA-N 370.501 1.768 0 50 FDAA CCc1cc(O)nc(CN[C@@H]2CC(=O)N(C)[C@H]2c2c(C)nn(C)c2C)n1 328633903 SURILHHMSYXLTC-FZKQIMNGSA-N 358.446 1.157 0 50 FDAA COCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C)[C@@H]2CN)cc1 237081324 LVLAWRWHWZHFCQ-BBRMVZONSA-N 354.472 1.306 0 50 FDAA CS(=O)(=O)N1CCN(C(=O)c2cnn3cccnc23)Cc2ccccc21 489484219 NZLPJYAGXYEJMM-UHFFFAOYSA-N 371.422 1.151 0 50 FDAA O=C(O)[C@@H]1CCCCN1C(=O)CS(=O)(=O)CCCc1ccccc1 262644435 IBBRQBDIZCPRGF-HNNXBMFYSA-N 353.440 1.500 0 50 FDAA CN1C(=O)CC[C@@H](C(=O)NCc2cn3ccsc3n2)[C@H]1c1cnn(C)c1 265188554 HFPQZAMGBGRIJC-UKRRQHHQSA-N 372.454 1.355 0 50 FDAA COc1cc(C)c(CN(C)C(=O)[C@H]2Cn3c(C)nnc3CN2)cc1OC 818048971 OUGCXYBOOWJBBO-CQSZACIVSA-N 359.430 1.043 0 50 FDAA COc1ccc(C(=O)Nc2ccccc2C(=O)N2CC[C@@H](O)[C@@H](O)C2)cc1 827623891 CNTNYBCIUPIOHS-MSOLQXFVSA-N 370.405 1.515 0 50 FDAA O=S(=O)(c1cncc(Br)c1)N1CC[C@@H](N2CC=CC2)C1 266185161 LWISBJBOQZAKFP-GFCCVEGCSA-N 358.261 1.479 0 50 FDAA COc1ccc(F)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(N)=O 1080659 WBBNVEQPHXIRFG-ZDUSSCGKSA-N 352.387 1.209 0 50 FDAA C[C@@]1(CO)COCCN(C(=O)c2ccc(-n3cnc4ccccc43)nc2)C1 2325801030 RNVZNSJZLUVNIS-HXUWFJFHSA-N 366.421 1.892 0 50 FDAA O=C(c1cc(N2CCCCC2)ncn1)N1CCN(c2ccc(O)nc2)CC1 2325803076 OSPZVRABOGRPJN-UHFFFAOYSA-N 368.441 1.530 0 50 FDAA CC(C)(C)[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](N)CC2)N1CCCC1=O 2325813087 KBIGLPXGIRXASV-IINYFYTJSA-N 350.488 1.935 0 50 FDAA CC(=O)N1CCCc2cc(C(=O)N[C@H](C)c3nc([C@H](C)O)n[nH]3)ccc21 2325852115 UCMSWPJWAWJQBJ-MNOVXSKESA-N 357.414 1.648 0 50 FDAA C[C@H]1NCCn2c(C(=O)NCC(=O)Nc3ccc4c[nH]nc4c3)ccc21 2325858301 HYKQYJQUOVUSAW-LLVKDONJSA-N 352.398 1.397 0 50 FDAA O=C(NC[C@@H]1C[C@@H]1NC(=O)c1cnc2[nH]cncc1-2)c1cccc(F)c1 2325872167 KUYRRDAPQWOJMQ-NHYWBVRUSA-N 353.357 1.597 0 50 FDAA N=c1[nH]nc([C@@H](NC(=O)c2cccc3ncnn23)c2ccccc2)s1 2356165817 POWNTMNGQKEQRM-ZDUSSCGKSA-N 351.395 1.513 0 50 FDAA Cc1ccccc1[C@@H](O)CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1 112397329 NGUXCOUKKVYXNA-SFHVURJKSA-N 374.462 1.998 0 50 FDAA CCOC(=O)c1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 101463874 QPQISXCLJNYQEN-WRFANHODSA-N 368.389 1.609 0 50 FDAA C[C@@H](C(=O)N1CCNC(=O)C1(C)C)N1CCN(c2ccc(F)cc2)CC1 117787801 YGZSDJCFQBKVBY-AWEZNQCLSA-N 362.449 1.073 0 50 FDAA O=C(c1ccc(F)cc1F)N1CCN(c2ccc(-n3cccn3)nn2)CC1 67621348 MCBFXXQSBWLDIK-UHFFFAOYSA-N 370.363 1.903 0 50 FDAA CN1C(=O)C(=O)N(CC(=O)N2CCCc3c2cccc3C(F)(F)F)C1=O 425641047 CLKGECUJUSSSIK-UHFFFAOYSA-N 369.299 1.405 0 50 FDAA COc1ccc(N2CCN(C(=O)Cn3nc(C)cc3N)[C@@H](C)C2=O)cc1 67724570 KLYUVEBWUFLMOL-ZDUSSCGKSA-N 357.414 1.046 0 50 FDAA O=C1NCCN(Cc2ccccc2)[C@@H]1CC(=O)N1CCc2ccccc2C1 12836854 WPMUJMHAQVBDMO-HXUWFJFHSA-N 363.461 1.962 0 50 FDAA O=C(N[C@H]1CCCN(c2cnccn2)C1)c1nc2ccccc2[nH]c1=O 215520694 QPEIAMKCBIWCAY-LBPRGKRZSA-N 350.382 1.112 0 50 FDAA Cc1cnn(C2(C(=O)O)CCN(c3nc4c(cc3C(=O)O)CCC4)CC2)c1 72426290 GTWFCKIHQVZLBT-UHFFFAOYSA-N 370.409 1.854 0 50 FDAA COC(C)(C)C(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1 71738512 KIPYDEVSXJDRQJ-UHFFFAOYSA-N 355.442 1.914 0 50 FDAA CCn1ccnc1CN(C(=O)[C@H]1CCCN1C(C)=O)[C@@H]1CC12CCNCC2 435561834 YRVDJAWTRWCRNO-IAGOWNOFSA-N 373.501 1.385 0 50 FDAA CCn1ccnc1CN(C(=O)[C@H]1CCCN1C(C)=O)[C@H]1CC12CCNCC2 435561836 YRVDJAWTRWCRNO-SJORKVTESA-N 373.501 1.385 0 50 FDAA CC[C@H]1CN(C(=O)CN2CCOC2=O)CCC(=O)N1Cc1ccccc1 71763988 WDDTYFHZJXNKFL-INIZCTEOSA-N 359.426 1.478 0 50 FDAA COc1ccc(-c2cc(CNC(=O)C[C@@H]3C=CS(=O)(=O)C3)no2)cc1 218873359 GWJUEBPTQXUUHW-LBPRGKRZSA-N 362.407 1.915 0 50 FDAA Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)c2nc[nH]c2C(=O)O)n1 215980445 HSRVQXSRTFAHDA-ZETCQYMHSA-N 359.308 1.698 0 50 FDAA CCn1ccnc1CNc1ncc(S(C)(=O)=O)c([C@H]2CCCNC2)n1 72480736 BAQMOGGRYLENLM-LBPRGKRZSA-N 364.475 1.176 0 50 FDAA Cc1cccc(F)c1-n1nc(C(=O)N[C@@H]2CCC(=O)NC2=O)c2c1CCC2 333804862 YXWZUBRJPSDLSI-CYBMUJFWSA-N 370.384 1.344 0 50 FDAA COCCCN1C(=O)CC[C@H]2CN(C(=O)c3scnc3C)CC[C@H]21 72429863 VMHPOFRNNSXDBP-UONOGXRCSA-N 351.472 1.941 0 50 FDAA Cn1c(C(=O)N2C[C@H](O)[C@@H](N3CCCOCC3)C2)ccc1-c1ccccc1 72430031 JYLXYAQCRQSLBW-PMACEKPBSA-N 369.465 1.600 0 50 FDAA OC[C@]1(O)CCCN(Cc2ccccc2OCCCN2CCOCC2)C1 216374979 JHAKGCAUZANMQE-FQEVSTJZSA-N 364.486 1.107 0 50 FDAA CCC(=O)N1CCC[C@H]1C(=O)N1CCN(Cc2cc(C)cc(C)c2)C(=O)C1 77320581 NSMBTVWTVVCSIM-SFHVURJKSA-N 371.481 1.875 0 50 FDAA Cc1cc(=O)[nH]c(CCNc2nc(-c3cccnc3)nc3c2cnn3C)n1 72172415 IBWVTXYNSKNDTI-UHFFFAOYSA-N 362.397 1.472 0 50 FDAA NC(=O)COc1ccc(CN2CCN(c3ccncc3)CC2)cc1Cl 215778702 SVGUOZDYLMVXPW-UHFFFAOYSA-N 360.845 1.921 0 50 FDAA CC[C@H](OC)C(=O)N1CCc2ccc(S(=O)(=O)NC3CCC3)cc2C1 77420390 GXNWMLQDDOLQLG-KRWDZBQOSA-N 366.483 1.827 0 50 FDAA O=C1CC[C@@]2(CCCN(C(=O)c3ccc(F)c(F)c3)C2)CN1CCO 77303191 QJMBVXPAFMLZPB-SFHVURJKSA-N 352.381 1.802 0 50 FDAA Cc1nc2cc(C(=O)N3CCN[C@H](C(=O)O)C3)ccc2n1-c1ccccc1 71755161 BCQKAGWFUVPICJ-KRWDZBQOSA-N 364.405 1.833 0 50 FDAA C[C@@H]1CCN(Cc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)[C@H]1c1cccc(F)c1 245537039 LXQBHDZYVUIYPT-BDJLRTHQSA-N 371.416 1.683 0 50 FDAA CN(C)C(=O)N1CCn2nc(CNC(=O)CSc3ccccc3)cc2C1 82137266 QNRVWFMRJDUEPV-UHFFFAOYSA-N 373.482 1.789 0 50 FDAA CC(C)O[C@H]1CN(C(=O)NCc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1O 426615003 CBZNYKIJDOEALQ-IRXDYDNUSA-N 362.405 1.691 0 50 FDAA O=C(NCc1coc(-c2ccccc2)n1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 220016018 KVAHGNGGISAWFN-UHFFFAOYSA-N 362.345 1.801 0 50 FDAA O=C(Cc1n[nH]c2ccccc12)N1CCn2nc([C@H](O)C3CC3)cc2C1 222768547 IKOJCFXQWYADGI-LJQANCHMSA-N 351.410 1.788 0 50 FDAA CN1CCN(C(=O)NCc2cc3n(n2)CCN(C2CCCCC2)C3)CC1 82156199 YYZRYNVIJOBEIX-UHFFFAOYSA-N 360.506 1.488 0 50 FDAA CN(C)[C@@H](C(=O)N1CCN(c2cccnc2)CC1)c1ccc2c(c1)OCO2 220654156 JMMBVAMJKXYFQT-LJQANCHMSA-N 368.437 1.762 0 50 FDAA COc1ccc(NC(=O)NCCCc2ncc[nH]2)cc1NS(C)(=O)=O 426465503 UKGDLDWJRJAAPO-UHFFFAOYSA-N 367.431 1.544 0 50 FDAA Cc1cc(C)n(CCC(=O)N[C@@H]2CCOC[C@H]2OCC2CCC2)c(=O)n1 223666194 NFMHYRHASPGGMR-IAGOWNOFSA-N 363.458 1.341 0 50 FDAA CN1CC[C@H](N2CC3(CCC2=O)CCN(C(=O)NCc2ccco2)CC3)C1 95518677 YBFLHJNNDBSGQD-INIZCTEOSA-N 374.485 1.898 0 50 FDAA CN(Cc1ccoc1)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](N)C2)cc1 91770323 ZRLVMDQKCRDCRV-HNNXBMFYSA-N 363.439 1.274 0 50 FDAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CCc1c(C)nn(C)c1C)C2 97696285 YCANZOFTQWMXCY-JKSUJKDBSA-N 362.474 1.065 0 50 FDAA Cc1ccc(OCC(=O)N2CCC(c3nccn3CC(N)=O)CC2)cc1C 95519863 RFNBNAWAFATXBM-UHFFFAOYSA-N 370.453 1.770 0 50 FDAA CCc1nc(CNC(=O)Nc2cc3c(cc2N(C)C)n(C)c(=O)n3C)no1 96153678 YIONKMYHCNUNDN-UHFFFAOYSA-N 373.417 1.210 0 50 FDAA C[C@@H]1CCC(=O)N1c1cccc(NC(=O)NC2CCN(CC(N)=O)CC2)c1 96166653 WKFGPTARPYLYNP-CYBMUJFWSA-N 373.457 1.273 0 50 FDAA CS(=O)(=O)c1cnn2cc(CN3CCC[C@]4(CCOC4)C3)cnc12 95357235 NKOZCSOEVBBYBH-INIZCTEOSA-N 350.444 1.135 0 50 FDAA COc1cccc(CCC(=O)N2CCC[C@]3(CCC(=O)N(CCO)C3)C2)c1 95518989 YEBHGDZPYCHOAI-NRFANRHFSA-N 374.481 1.851 0 50 FDAA Cn1cc(CN2CCN(c3cnn(C)c(=O)c3)CC2)c(-c2ccccc2)n1 96449023 ZKICJJFJYBCRIL-UHFFFAOYSA-N 364.453 1.503 0 50 FDAA CCCc1cncnc1N1C[C@H](C(C)C)[C@@H](NC(=O)C2(C(N)=O)CC2)C1 91663188 NQLGJDZHRXNCFU-CABCVRRESA-N 359.474 1.272 0 50 FDAA CN1C(=O)[C@H]2CC[C@@H]1CN(S(=O)(=O)c1cc(-c3ccno3)cs1)C2 95371150 JIGLHGKLYCVFBG-CMPLNLGQSA-N 367.452 1.644 0 50 FDAA CCCc1nnc(N2CCc3nc(NC)nc(C(=O)N4CCCC4)c3C2)o1 95376576 CSPQAHGWDHZZDC-UHFFFAOYSA-N 371.445 1.653 0 50 FDAA CC(C)[C@@H](CO)NC(=O)Cn1ccc2c(NS(C)(=O)=O)cccc21 252492596 MQCYYNAXPSEHIW-CQSZACIVSA-N 353.444 1.146 0 50 FDAA COc1ccc(NC(=O)N2CCN3CCC[C@@H]3C2)cc1NS(C)(=O)=O 267174142 PDSQWSAHUBXYHU-CYBMUJFWSA-N 368.459 1.379 0 50 FDAA C[C@H](C(=O)Nc1nnc2ccccn12)N(c1ccccc1)S(C)(=O)=O 1940194657 CDJMBTYZVIRONX-GFCCVEGCSA-N 359.411 1.523 0 50 FDAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)c1cnn(-c3ccccn3)c1C)CC2 299764527 AFEIKVYIGWTVRR-URLQWDBASA-N 356.426 1.720 0 50 FDAA Cc1noc(C)c1CN1CC[C@@H](NC(=O)c2n[nH]c3c2CCCC3)[C@H](O)C1 299781955 UHQIFICMEYCMOH-IAGOWNOFSA-N 373.457 1.259 0 50 FDAA CCC(=O)N[C@@H](C(=O)N1CC(c2n[nH]c3c2COCC3)C1)c1ccccc1 1875286657 ZNIZQDDWKRVCRP-LJQANCHMSA-N 368.437 1.676 0 50 FDAA O=C1CC2(CCC2)[C@H](NC(=O)[C@@H](O)c2ccc(C(F)(F)F)cc2)CN1 1875298918 RWUGXAPKXNQKNF-OCCSQVGLSA-N 356.344 1.914 0 50 FDAA Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NS(C)(=O)=O)cc1 1875390874 YMQRSKALWSJPHL-UHFFFAOYSA-N 357.391 1.384 0 50 FDAA C=CC(=O)N1CCN(C(=O)CNC(=O)c2cc3c(s2)CCC3)[C@@H](C)C1 1875381436 VCLVJYFQNVNCIU-LBPRGKRZSA-N 361.467 1.212 0 50 FDAA Cc1cc(C(=O)N2CCc3c(cnn3C)[C@H]2C(N)=O)nn1C1CCCCC1 1875395907 PFVQSFLYTSFCLS-KRWDZBQOSA-N 370.457 1.655 0 50 FDAA Cc1nnc2n1CCN(C(=O)c1ncn3c1COc1ccccc1-3)[C@H]2C 1875319036 XKCSVWKJJCDJDA-NSHDSACASA-N 350.382 1.882 0 50 FDAA C=CC(=O)NCC(=O)N[C@@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 1875301907 VNTYYLNRTQTLQP-QAPCUYQASA-N 351.397 1.907 0 50 FDAA O=C(NCC[C@@H]1CCSC1)C(=O)Nc1ccn(CCc2ccncc2)n1 873965901 CZOHORPCSPNPOI-OAHLLOKOSA-N 373.482 1.719 0 50 FDAA Cc1nc(CC(=O)N2CC[C@@](c3nc(C4CC4)no3)(C(F)(F)F)C2)n[nH]1 952895710 WHTVDBFWTSBCRB-CQSZACIVSA-N 370.335 1.649 0 50 FDAA NC(=O)NCC(=O)N1CCC(CNC(=O)CCCc2ccccc2)CC1 952986151 FKWHADSZJZMOSX-UHFFFAOYSA-N 360.458 1.032 0 50 FDAA COc1cccc2c1C[C@H](Cc1noc(COC3CN(C(C)=O)C3)n1)O2 886078178 PEZSXYRIIJVARX-GFCCVEGCSA-N 359.382 1.372 0 50 FDAA COc1cc(CC(=O)N2CC[C@@H](c3cc(O)nc(N(C)C)n3)C2)ccn1 888095248 VCRSWGLVQBUFKQ-CYBMUJFWSA-N 357.414 1.210 0 50 FDAA COC(=O)c1cc(C)nc(N2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)n1 1565525771 LSPZMAJFQGUVAI-HIFRSBDPSA-N 371.393 1.655 0 50 FDAA O=C(c1cccs1)N1C[C@@H]2CN(C3CCOCC3)C[C@]2(C(=O)O)C1 1565517099 SNWQOAFFGMEJLR-SJCJKPOMSA-N 350.440 1.386 0 50 FDAA Oc1nccnc1N1CCC[C@@H](Nc2ncncc2Br)C1 275702649 XSCJEMMGLKCVPT-SECBINFHSA-N 351.208 1.816 0 50 FDAA COc1ccc2[nH]cc(CC(=O)N3CCS(=O)(=O)CC[C@H]3C)c2c1 277971348 SPXFORBUSRNGKU-GFCCVEGCSA-N 350.440 1.755 0 50 FDAA COC[C@@H]1[C@H](NC(=O)CCS(=O)(=O)c2ccc(C)cc2)[C@H]2CCO[C@@H]12 1074562228 JBLVUUYEUNKVRY-JOCBIADPSA-N 367.467 1.325 0 50 FDAA O=C1NC2(CCN(C(=O)CCCn3nnc(-c4ccccc4)n3)CC2)CO1 170594178 BJNSUSPRDIONIN-UHFFFAOYSA-N 370.413 1.221 0 50 FDAA CCOC(=O)[C@H](COC)N(CC(=O)N(C)Cc1ccccc1C)C1CC1 170606440 BNDFVWYDZTUJNX-SFHVURJKSA-N 362.470 1.996 0 50 FDAA O=C(C1CCN(C[C@@H](O)Cn2cccn2)CC1)N1CCc2ccccc21 171638045 ZETKZGTXMVZDKP-GOSISDBHSA-N 354.454 1.545 0 50 FDAA Cc1cc(C)c(C)c(S(=O)(=O)NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)c1C 408500659 PDAQMNJJNGZUID-UONOGXRCSA-N 352.456 1.449 0 50 FDAA C[C@@H]1CN(CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)C[C@H]1CO 190846595 DEHUUGRBPKDGGT-CVEARBPZSA-N 374.481 1.904 0 50 FDAA COC[C@H]1CCCN(S(=O)(=O)N(C)CCCn2nc(C)cc2C)C1 1506418013 NCCBTFCMGRIFTG-INIZCTEOSA-N 358.508 1.425 0 50 FDAA CCNc1nc(C)c(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CCOC)s1 219885856 ZDQYJSHNRDVQSJ-OLZOCXBDSA-N 366.487 1.593 0 50 FDAA O=S(=O)(c1cccc2nonc12)N1CCN(c2ccc(F)cc2)CC1 786047 VDLOZVYQOZWPRO-UHFFFAOYSA-N 362.386 1.873 0 50 FDAA Cc1ccc(CC(=O)N2C[C@@H]3CN(Cc4nccn4C)C[C@@]3(CO)C2)cc1 1772807345 TWYGTQPKNZNOKD-RXVVDRJESA-N 368.481 1.224 0 50 FDAA Cc1nc(CN2C[C@H]3CN(C(=O)c4cc(C5CC5)[nH]n4)C[C@]3(CO)C2)co1 1772712221 PIUYDVAZMIQCAG-LIRRHRJNSA-N 371.441 1.150 0 50 FDAA CN(CCn1cc(C(=O)NCc2ccncc2)nn1)Cc1ccccc1F 14992637 XFRODTFEGRJPKF-UHFFFAOYSA-N 368.416 1.874 0 50 FDAA Cc1cc(NC(=O)CCN2CCN(CCO)CC2)ccc1Br 19570494 VOLNJKLUYCOPTH-UHFFFAOYSA-N 370.291 1.696 0 50 FDAA NC(=O)c1ccc(-c2nc([C@H]3CCn4nccc4C3)n(CCCO)n2)cc1 1857674842 ZWJQZONDBNGQNP-HNNXBMFYSA-N 366.425 1.353 0 50 FDAA O=C(Nc1ncc2c(n1)CCCC2)[C@@H](c1cccnc1)N1CCOCC1 1875248849 SJXOODDKZWHWLB-QGZVFWFLSA-N 353.426 1.762 0 50 FDAA O=C(c1ccc(Cl)cn1)N1CCC(S(=O)(=O)N2CCCC2)CC1 328708382 MFKKFRQSOGXEPY-UHFFFAOYSA-N 357.863 1.765 0 50 FDAA CC[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCO3)CCN1C[C@H](C)O 329093489 BAHQHWHJYCMAEF-HOCLYGCPSA-N 368.499 1.477 0 50 FDAA CCC[C@@H]1C[C@@H](C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)CCO1 329877628 JOGNSRUCEHLISQ-ARFHVFGLSA-N 358.504 1.608 0 50 FDAA O=C(O)c1cc(S(=O)(=O)N2CC[C@H](N3CCCC3)C2)ccc1Cl 238199332 KDZCHIVJZOTQMH-NSHDSACASA-N 358.847 1.897 0 50 FDAA C[C@H](NS(=O)(=O)c1ccc(OCC(F)F)cc1)c1nnnn1C1CC1 252508757 XSSCVJAGTFKTHP-VIFPVBQESA-N 373.385 1.691 0 50 FDAA CN1CCC(CN(C)C(=O)[C@H](O)[C@](O)(c2ccccc2)C(F)(F)F)CC1 900573420 CKEFVGUCWFGXJC-DOTOQJQBSA-N 374.403 1.598 0 50 FDAA CC1(C)CN(C(=O)C(=O)N2CC[C@H](N3CCOC3=O)C2)[C@H]1c1ccccc1 850624322 UNYVHGIWSCXRRU-HOTGVXAUSA-N 371.437 1.649 0 50 FDAA CN1CCN(CC(=O)Nc2cccc(I)c2)CC1 23076564 ZPHUCCBAZDRJSH-UHFFFAOYSA-N 359.211 1.477 0 50 FDAA O=C(c1ccc(I)c(F)c1)N1CCN[C@@H](CF)C1 2325792364 WYPHAUACINCARS-VIFPVBQESA-N 366.149 1.814 0 50 FDAA C[C@H]1CCN(c2ncc(F)cn2)C[C@H]1NC(=O)c1n[nH]c2c1CCCC2 2325867241 PGZWNESUUSZQLF-XHDPSFHLSA-N 358.421 1.862 0 50 FDAA Cn1c(=O)c2c(nc(N3CCCCC3)n2Cc2ccc(F)cc2)n(C)c1=O 629448 WPTGFZLXQYJGJD-UHFFFAOYSA-N 371.416 1.611 0 50 FDAA O=C(CN1CC[C@@H](O)[C@](CCCc2ccccc2)(C(=O)O)C1)N1CCCC1 2356147754 NGUDXEFRIKUPMP-WIYYLYMNSA-N 374.481 1.769 0 50 FDAA CN1C[C@@H](CN2CCC3(CC2)OCCc2cc(C(=O)O)sc23)CC1=O 2356158474 LQQZWSKOSWSBHN-LBPRGKRZSA-N 364.467 1.788 0 50 FDAA CCNC(=O)c1ccnc(N2CCN(Cc3cccs3)[C@@H](CCO)C2)c1 106964893 DWPOXHXPWCNSPL-INIZCTEOSA-N 374.510 1.966 0 50 FDAA CCc1cccc(NC(=O)CCC(=O)NC2CCN(CC(=O)O)CC2)c1 55042676 QLBGZPMFNHRLBQ-UHFFFAOYSA-N 361.442 1.633 0 50 FDAA OCCN1CCN(C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 22478678 VJJSBHUJZYBJOR-FQEVSTJZSA-N 356.466 1.703 0 50 FDAA Cn1cccc1C(=O)N1CCC(n2cc(C(=O)N3CCCC3)nn2)CC1 67804573 ROUDTCQDYKMTLQ-UHFFFAOYSA-N 356.430 1.330 0 50 FDAA Cc1nc(C2CC2)ccc1C(=O)N[C@@H]1CCC(=O)N[C@H]1c1ccnn1C 424114676 RYCWAPRHGDUNRR-CRAIPNDOSA-N 353.426 1.751 0 50 FDAA CN(CCC(=O)N1CCOCC1)C[C@@H]1C[C@H](F)CN1Cc1cccs1 328636672 OESPEIFIOCVLQL-HOTGVXAUSA-N 369.506 1.841 0 50 FDAA Nc1nc(NCc2ccccc2)nc(N2CCC3(CC2)CNC(=O)C3)n1 65507080 DUIGCQZFCAUZSM-UHFFFAOYSA-N 353.430 1.172 0 50 FDAA Cn1ccnc(NC[C@H]2CN(C/C=C/c3ccc(F)cc3)CCO2)c1=O 328652271 WHHJRIYYUADWAJ-YATRRXNKSA-N 358.417 1.746 0 50 FDAA COc1cc2ncn(CCC(=O)NCc3ccccn3)c(=O)c2cc1OC 31817503 PJVLXYIGHRJMJC-UHFFFAOYSA-N 368.393 1.515 0 50 FDAA CO[C@H]1[C@H](NC(=O)c2ccc(N)nc2)c2ccccc2C12CCNCC2 72463348 KLXLWOXMTQDIHC-MSOLQXFVSA-N 352.438 1.785 0 50 FDAA CNC(=O)C(C)(C)CNC(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1 154244421 NGYLRXXSEYKQEY-INIZCTEOSA-N 359.470 1.736 0 50 FDAA O=C(c1ccccc1OC(F)F)N1CCOC[C@](O)(CN2CCCC2)C1 77421901 FVFHJNMXTSRWRF-SFHVURJKSA-N 370.396 1.587 0 50 FDAA COc1ccc(C(=O)N2CCN(C(=O)C[C@@H](C)n3ccnc3)CC2)cc1 77390021 HFJHKTPQQZWRHI-OAHLLOKOSA-N 356.426 1.827 0 50 FDAA O=S1(=O)C[C@@H]2[C@H](C1)N(CCc1ccccc1)CCN2c1ncccn1 77406662 DKXDOTAWUYQZJP-DLBZAZTESA-N 358.467 1.007 0 50 FDAA Cc1ccc([C@H](CNS(=O)(=O)c2cnc[nH]2)N2CCOCC2)s1 330161743 RWPWGLIMUJMDDS-LBPRGKRZSA-N 356.473 1.131 0 50 FDAA Cc1ccc(C(=O)N[C@H]2CN(CCS(C)(=O)=O)C[C@@H]2C(C)C)n1C 219556543 FZHDNJPZBVLJLV-CABCVRRESA-N 355.504 1.064 0 50 FDAA CC[C@H](C(=O)N1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1)N1CCCC1 71721478 RNVRWZXXVVKDTE-QGZVFWFLSA-N 367.453 1.591 0 50 FDAA CNC(=O)Cn1nc(C(=O)N(C)Cc2cc(-c3ccccc3)no2)cc1C 72430903 UFCYRWPOILXUTN-UHFFFAOYSA-N 367.409 1.865 0 50 FDAA O=C(N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)[C@H]1COc2ccccc2C1 332808583 IKRHVLGOJCNQJE-IIDMSEBBSA-N 365.451 1.090 0 50 FDAA Cc1nc(CCNC(=O)Cc2c(C)nn(-c3ccccc3)c2C)cc(=O)[nH]1 72410810 WFLAOWNWHUPBDT-UHFFFAOYSA-N 365.437 1.782 0 50 FDAA CN1CCN(c2c(N3CCN(c4ccc(Cl)cc4)CC3)c(=O)c2=O)CC1 218406064 NRFGAJGQBZYPLZ-UHFFFAOYSA-N 374.872 1.014 0 50 FDAA C[C@@H]1C[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccnc2)CCN1 262961874 WRMNIISVRYNFKC-AYOQOUSVSA-N 366.465 1.679 0 50 FDAA CNC(=O)c1ccc(N(C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)nn1 284869155 MRSGHJBXIWMFBU-SUMWQHHRSA-N 357.462 1.089 0 50 FDAA COCCNCC(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 237209911 QEWYSBQWMZPXFH-ZDUSSCGKSA-N 353.438 1.200 0 50 FDAA C[C@@H](C(=O)Nc1ccc(NC(=O)[C@@H]2CC23CCNCC3)cc1)n1cncn1 237503649 ZRSAQKADQPGABP-BBRMVZONSA-N 368.441 1.806 0 50 FDAA O=C(NCC1(c2c(F)cccc2F)CCC1)N1CCN2C(=O)NC[C@H]2C1 334109901 AWGSDCBAIMWCRX-LBPRGKRZSA-N 364.396 1.806 0 50 FDAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)c1cnc(OCC2CC2)cn1 285103516 WOTGUUKVMYUKEB-KSSFIOAISA-N 371.441 1.876 0 50 FDAA NC(=O)c1ccccc1CC(=O)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 376075812 ZHKYLBYCZJBPLE-MSOLQXFVSA-N 352.434 1.953 0 50 FDAA NS(=O)(=O)c1ccc2c(c1)N(Cc1cnn(-c3ccccc3)n1)CCC2 174681331 SLJKPKITYCNEDB-UHFFFAOYSA-N 369.450 1.868 0 50 FDAA Cc1cc(C)n2c(C(=O)N3CCC[C@H](N4CCC(CO)CC4)C3)nnc2n1 72156010 SLBZGYQDRMYCFB-INIZCTEOSA-N 372.473 1.050 0 50 FDAA Cn1nccc1[C@H]1[C@H](CNC(=O)CCn2ccnn2)CCCN1C1CC1 286355774 KYFJBQNTLRKTJS-KBXCAEBGSA-N 357.462 1.134 0 50 FDAA NC(=O)c1ncn(C2CCN(c3ccnc(C(F)(F)F)c3)CC2)c1N 286464510 NVNKJWLAUNAQLL-UHFFFAOYSA-N 354.336 1.820 0 50 FDAA CCCc1n[nH]cc1C(=O)N[C@@H]1COCC[C@@H]1OCc1cscn1 223655899 LRGKDOBMDYEANL-CABCVRRESA-N 350.444 1.923 0 50 FDAA Cn1nccc1CSc1nnc(C2CCNCC2)n1C[C@@H]1CCCO1 426531067 WLYXRJGKRJRELO-HNNXBMFYSA-N 362.503 1.950 0 50 FDAA Cc1nn(CC(=O)N[C@@H](c2ncnn2C)C2CC2)c(=O)c2ccccc12 223584170 LZSJUTFKXHIUJB-MRXNPFEDSA-N 352.398 1.101 0 50 FDAA O=C(O)CO[C@@H]1COCC[C@H]1NS(=O)(=O)c1cc2ccccc2s1 223069815 XDDJHJNDPWKYRJ-VXGBXAGGSA-N 371.436 1.438 0 50 FDAA Cc1c(C(=O)N[C@@H](c2ccccc2)[C@H]2C[C@@H](O)C2)cnc2cc(=O)[nH]n12 222990854 JLMXYFPBBGKHRT-DEYYWGMASA-N 352.394 1.573 0 50 FDAA CC(C)N1C[C@H](NC(=O)N2CCC(OCc3ccccn3)CC2)CC1=O 426484404 FZPFSFSSXKCPMV-MRXNPFEDSA-N 360.458 1.782 0 50 FDAA O=C(CCc1nc2ccccc2[nH]1)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1 222644497 BAPQBJJAKUPAOR-ZNYHDOEXSA-N 354.454 1.863 0 50 FDAA CN(C)C[C@H]1COCCN(C(=O)c2ccc(Cl)cc2OCCCN)C1 426433970 FHNRCWSNPVYFGG-CQSZACIVSA-N 369.893 1.718 0 50 FDAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3ccc4c(=O)n(C)cnc4c3)[C@H]2C1 426544377 LOJILKSZVOFZQQ-CFLQYTFWSA-N 371.437 1.732 0 50 FDAA Cc1nnnn1-c1ccc(NC(=O)N[C@@H](c2ncnn2C)C(C)C)cc1 95530433 HWDSTOCFIMKJFB-CQSZACIVSA-N 355.406 1.618 0 50 FDAA COc1ccc2cc(C(=O)N3C[C@@H]4CCN(C)C[C@]4(C(=O)O)C3)n(C)c2c1 92004484 AXQQURVFFGFXMU-XOBRGWDASA-N 371.437 1.665 0 50 FDAA CN1CCN(Cc2nnc(C3CCN(CC4CCCC4)CC3)n2C)CC1 91871310 OPWXKXABOLITJV-UHFFFAOYSA-N 360.550 1.932 0 50 FDAA COc1cc(C(=O)N2CCC3(CCC(=O)N(CCO)C3)CC2)ccc1C 91664684 SBQNUYLQGQBLAS-UHFFFAOYSA-N 360.454 1.841 0 50 FDAA CN1CC2(CCN(C(=O)[C@@H](c3cccnc3)N3CCCC3)CC2)OC1=O 95519893 GQRXZRQABXIKMF-MRXNPFEDSA-N 358.442 1.662 0 50 FDAA COc1ccc2c(c1)[C@H](C(=O)N1CCC3(CC1)COC(=O)O3)CC(=O)N2 91551600 KDKPLMYNCKSMLA-CYBMUJFWSA-N 360.366 1.649 0 50 FDAA CCNc1nc(C)c(C(=O)N2CCC3(CC2)CN[C@@H](C(=O)O)C3)s1 91713702 JHTHRAZESCEVHR-LLVKDONJSA-N 352.460 1.552 0 50 FDAA O=C(CCn1cnnn1)N1CCC(c2nccn2Cc2ccncc2)CC1 91997252 DTJRALLKEBTJHL-UHFFFAOYSA-N 366.429 1.109 0 50 FDAA NC(=O)CN1C[C@H](C2CC2)[C@@H](NC(=O)Cc2c(F)cccc2Cl)C1 91950990 GTEMRXGRVWCWSY-DOMZBBRYSA-N 353.825 1.334 0 50 FDAA Cc1cccc(CNC(=O)c2cccc(S(=O)(=O)N3CC(O)C3)c2)c1C 97636630 RXSMXBXCDJRYTO-UHFFFAOYSA-N 374.462 1.599 0 50 FDAA COCCCn1cnnc1[C@H](C)NC(=O)Nc1ccc2c(c1)OCC(=O)N2 426574909 LWMJZWHBTKGFCO-NSHDSACASA-N 374.401 1.528 0 50 FDAA Cc1ccc(-n2nc(CC(N)=O)nc2Cn2cnc3ccccc3c2=O)cc1 95507931 VTJXMZJSYUWRNU-UHFFFAOYSA-N 374.404 1.362 0 50 FDAA COCCOCC(=O)N1C[C@@H](c2cccc(OC)c2)[C@@H]2[C@H]1C1CCN2CC1 95388577 MPHZKOYYHHHRRC-CEWLAPEOSA-N 374.481 1.747 0 50 FDAA O=C(CN1CCCCCC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 96305860 UWFKBQBSKDUUNT-UHFFFAOYSA-N 359.470 1.936 0 50 FDAA COc1ncccc1NC(=O)N(Cc1ccncc1)C[C@@H]1CCC(=O)N1 96136340 GMRPBVSGUMKDEP-AWEZNQCLSA-N 355.398 1.798 0 50 FDAA CN1CCCC[C@H]1CNC(=O)c1cccc(S(=O)(=O)NCCF)c1 95365692 BWGRMTRLDYMFBA-AWEZNQCLSA-N 357.451 1.149 0 50 FDAA COCCN(C(=O)c1cnc(-c2ccncc2)nc1)C1CCN(C)CC1 95391554 ZEGYFEPXDJJCOA-UHFFFAOYSA-N 355.442 1.721 0 50 FDAA COCCN1CCC[C@]2(CCN(c3cc(OC(C)C)nc(N)n3)C2)C1=O 95355757 SSBYVUWVDNSSDD-GOSISDBHSA-N 363.462 1.311 0 50 FDAA COc1ccc2c(c1)[C@@H](C(=O)N(C)Cc1n[nH]c3c1CCC3)CC(=O)N2 91593271 YZULPZWSXDHRHF-AWEZNQCLSA-N 354.410 1.991 0 50 FDAA C[C@H](CN1CCN(c2nccc(-c3ccccc3)n2)CC1)N1CCOCC1 244724215 MQBCEDYXIIQSAR-GOSISDBHSA-N 367.497 1.986 0 50 FDAA O=C(COC[C@H]1CCCO1)NCc1noc(-c2c(F)cccc2F)n1 243932531 BXBZDSQGZBAQSK-SNVBAGLBSA-N 353.325 1.827 0 50 FDAA O=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@@H]1CCCc2nc(O)ccc21 298134726 CMYQIOQUZNBABR-CQSZACIVSA-N 372.425 1.536 0 50 FDAA O=S(=O)(NC1CCN(c2ccc3nncn3n2)CC1)c1cccs1 298284993 FLOGIPUKALMUQQ-UHFFFAOYSA-N 364.456 1.133 0 50 FDAA NC(=O)c1ccccc1OCc1cccc(C(=O)N2CC[C@@H](C(=O)O)C2)c1 299741441 GCFDZHIFSBFEEL-OAHLLOKOSA-N 368.389 1.911 0 50 FDAA O=C(COc1ccc(F)cc1)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1O 252483790 FIJNKISASVVBFA-QZTJIDSGSA-N 359.401 1.351 0 50 FDAA CNc1nccnc1-c1ccc(C(=O)N2CC[C@@]3(CN(C)C(=O)O3)C2)cc1 534578706 UHVCEFJZOVRZSY-LJQANCHMSA-N 367.409 1.852 0 50 FDAA C[C@H]1Cc2cc(CNC(=O)c3ccc(N4CC(=O)NC4=O)cc3)ccc2O1 534642944 RVQTUWMBQYFPSU-LBPRGKRZSA-N 365.389 1.996 0 50 FDAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NCCc2csc(=N)[nH]2)OCC(=O)N1C 1940196484 ODBSMDQRLTUPJZ-CVEARBPZSA-N 374.466 1.121 0 50 FDAA COc1cc2c(cc1CNC(=O)[C@H]1CC(=O)OC13CCCC3)OCCO2 299797310 NGRQNQNEIDCNOE-CYBMUJFWSA-N 361.394 1.959 0 50 FDAA CC(C)C(=O)N1CCn2nc(CNC(=O)CCOc3ccccc3)cc2C1 299801197 WAIBUBXJSWTCSF-UHFFFAOYSA-N 370.453 1.967 0 50 FDAA O=C(Nc1ccccc1OC[C@H]1CCCO1)N1CCc2[nH][nH]c(=O)c2CC1 299791935 FAVBHBFBMYDRQS-CYBMUJFWSA-N 372.425 1.894 0 50 FDAA COc1nccnc1-c1cccc(C(=O)N2CCC[C@](O)(CN(C)C)C2)c1 299755753 CLHCRTBESJTYNL-FQEVSTJZSA-N 370.453 1.681 0 50 FDAA Cc1cc(N2CCn3nc(CNS(C)(=O)=O)cc3C2)nc2ccccc12 299770106 QLQUJGMNLRWIEE-UHFFFAOYSA-N 371.466 1.809 0 50 FDAA COc1ccc2nc(CCNC(=O)CN(C)Cc3ccccn3)[nH]c2c1 824757789 HENPZUWHNPAGTG-UHFFFAOYSA-N 353.426 1.757 0 50 FDAA CCOc1ccccc1CN[C@@H]1CCN(c2nc(C(N)=O)nc(C)c2C)C1 1875397389 YGNBTQSAYHYSNG-MRXNPFEDSA-N 369.469 1.960 0 50 FDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3n[nH]c(C)c3C)C2)c1C 1875398007 WWWOIJOWADOPLH-OAHLLOKOSA-N 371.489 1.504 0 50 FDAA C=CC(=O)NCC(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 1875371922 QFWRLOPYGDSAOZ-UHFFFAOYSA-N 356.344 1.818 0 50 FDAA CN=[S@@]1(=O)CCC[C@@]2(CCCN2C(=O)c2ccc(-n3cnnn3)cc2)C1 1875396200 YNSCRKDERXZBEV-MRDQGFSESA-N 374.470 1.529 0 50 FDAA CNC(=O)c1ncoc1[C@H]1[C@H]2C[C@H]1N(C(=O)N=S1(=O)CCCC1)C2 1875408303 SKHYUNPYDRQWGS-AXFHLTTASA-N 352.416 1.204 0 50 FDAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1ncn2cc(Cl)ccc12 1875400473 AUOFADOEXBYVMO-NJZAAPMLSA-N 359.817 1.754 0 50 FDAA CC(C)C1(C(=O)NC[C@@H]2CC3(CCC3)CN2C(=O)c2cn(C)nn2)CC1 1875405000 IZKFKFXRECDMBS-AWEZNQCLSA-N 359.474 1.752 0 50 FDAA CCN1CCO[C@@H](CN[C@H](C)c2cc3n(n2)CCC3)[C@@H]1c1cncn1C 952852809 MRQJKOGJCLQKGK-CCKFTAQKSA-N 358.490 1.675 0 50 FDAA CN(C)c1nc2cc(C(=O)NC[C@@H]3CCCS(=O)(=O)C3)ccc2o1 952845976 WWPQUGZOJKHMOT-NSHDSACASA-N 351.428 1.448 0 50 FDAA Cn1nc(O)cc1C(=O)N1CCC[C@H](c2ncc(Br)cn2)C1 1875295805 QZNAOOWWHFNEGF-VIFPVBQESA-N 366.219 1.698 0 50 FDAA O=C(N[C@@H]1C[C@H]2C[C@H](CO)C[C@H]21)c1nc(N2CCCC2)ncc1Cl 1875274658 PYYQZECVIALWTL-FMCLSXCISA-N 350.850 1.867 0 50 FDAA C[C@@H](OC[C@@H](O)CNC(=O)c1nnc2ccccc2n1)c1ccccc1 1875259968 NEDVZTLXDPEJNA-HIFRSBDPSA-N 352.394 1.893 0 50 FDAA 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O=C(O)CCc1cc2n(n1)CCN(C(=O)c1ccccc1[C@H]1CCNC1)C2 72409298 XPEQPCUDUZEGHZ-AWEZNQCLSA-N 368.437 1.633 0 50 FDAA O=C(c1n[nH]c2c1CCC2)N1CCN(S(=O)(=O)c2ccccc2)CC1 77389478 AEYWQLZBLDGVQW-UHFFFAOYSA-N 360.439 1.045 0 50 FDAA CCN(C)CC(=O)N1CCC(Oc2cc(C)ccc2F)(C(=O)O)CC1 72428961 DPIVKFNISVNJIW-UHFFFAOYSA-N 352.406 1.910 0 50 FDAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)CCO)[C@@H]4C2=O)cc1C 77378006 YJZSTVBOUYETTG-OOSNJVJTSA-N 370.449 1.036 0 50 FDAA CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@H](O)CC2)cc1 241630843 PLUVZRMRHVGZOP-SHTZXODSSA-N 354.472 1.749 0 50 FDAA C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC[C@H]1CCCO1 71375676 JNMODXHQBLHQNI-IUODEOHRSA-N 356.444 1.145 0 50 FDAA CSc1ncc(CNC(=O)c2cn(CC[C@H]3CCCCN3)nn2)n1C 77379450 OZAMIRWWWKSNEM-GFCCVEGCSA-N 363.491 1.196 0 50 FDAA COc1cc(CN2CCC[C@](O)(CO)C2)ccc1OCCN1CCCC1 72423368 QCSWWLDUNQRDPE-HXUWFJFHSA-N 364.486 1.489 0 50 FDAA NC(=O)Cn1cc(C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)nn1 174209925 AVZMULJDZAZYNU-UHFFFAOYSA-N 369.303 1.255 0 50 FDAA CN(C)Cc1nnc([C@@H]2CCCN(c3ncc(F)c(N(C)C)n3)C2)n1C 72479332 VDSFJKWYSPCOMC-GFCCVEGCSA-N 362.457 1.256 0 50 FDAA COc1ccc(CCC(=O)O)cc1NS(=O)(=O)c1c(C)cnn1C 285047577 JKZBLQFOLDYFJH-UHFFFAOYSA-N 353.400 1.555 0 50 FDAA CCn1c(CN(C)C)nnc1C1CCN(C(=O)CN2CCCCC2)CC1 77322834 OSPBGUPNBPBJEV-UHFFFAOYSA-N 362.522 1.552 0 50 FDAA CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(C(=O)Cc2c(C)nn(C)c2C)C1 285747288 LFIOGVNRGCGEHC-HIFRSBDPSA-N 358.446 1.564 0 50 FDAA CCc1nnc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)s1 222436267 YIZCIHFJGXBDGX-HOTUBEGUSA-N 355.489 1.765 0 50 FDAA CS(=O)(=O)N1CCC[C@@H](CN2CCN(c3ccccc3F)CC2)C1 176623306 IEXIOOIENSZGTO-HNNXBMFYSA-N 355.479 1.619 0 50 FDAA CN1CCN(Cc2ccc(C(=O)NCc3cnn4cccnc34)cc2)CC1 221280350 DXSFPTWPTRACSH-UHFFFAOYSA-N 364.453 1.407 0 50 FDAA COc1cc(NC(=O)NCCN2CCC[C@@H](C(N)=O)C2)c2ncccc2c1 96147920 DFGZPYLXSVHKRH-CQSZACIVSA-N 371.441 1.562 0 50 FDAA O=C([C@@H]1CCCN1C(=O)c1cnc(-c2ccncc2)nc1)N1CCOCC1 97657082 GPCDLFZVPNNXPB-INIZCTEOSA-N 367.409 1.002 0 50 FDAA Cc1cc(-c2ccc(C(=O)N[C@H]3CCNC3=O)cc2)nc(N2CCCC2)n1 426550456 OALAKNRFISOZGD-INIZCTEOSA-N 365.437 1.671 0 50 FDAA CCc1cc(C(=O)N2CC[C@@]3(O)CCN(S(C)(=O)=O)C[C@H]3C2)cs1 95380090 FADPMYWTDXOKRP-CZUORRHYSA-N 372.512 1.169 0 50 FDAA CCN1CCc2[nH]cnc2C12CCN(C(=O)c1cc(=O)c(OC)co1)CC2 91986556 IBDLRMGACZNSNM-UHFFFAOYSA-N 372.425 1.381 0 50 FDAA O=C1CC[C@@]2(CCCN(C(=O)c3cc[nH]n3)C2)CN1CCc1ccccn1 91713100 CIZAKDSKQIPKTR-FQEVSTJZSA-N 367.453 1.892 0 50 FDAA O=C(Cn1cccnc1=O)N1CCC[C@@H]1c1nc(-c2ccccc2)no1 91444730 GIYCQFVKGOMMOH-CQSZACIVSA-N 351.366 1.657 0 50 FDAA Cc1nnc(CN(C)C(=O)Nc2cccc(NS(=O)(=O)N(C)C)c2)o1 95510385 YALLNXVIJIPXSV-UHFFFAOYSA-N 368.419 1.260 0 50 FDAA COCc1nc(CN2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3=O)no1 91620876 AHNJDETYJPJRSZ-DZGCQCFKSA-N 357.414 1.234 0 50 FDAA O=C([C@@H]1CCCN(Cc2ccco2)C1)N1CCC(N2CCOC2=O)CC1 95497698 GBUXWDLQZGGRHM-OAHLLOKOSA-N 361.442 1.935 0 50 FDAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc(S(C)(=O)=O)cc1 91574538 GFFDRAUQCOYHJK-OAHLLOKOSA-N 352.456 1.563 0 50 FDAA CCc1noc(CN2CCC3(CCC(=O)N(CCCOC)C3)CC2)n1 91625269 LUIKXTWZHRDKME-UHFFFAOYSA-N 350.463 1.873 0 50 FDAA Cc1cccc(Cn2nc(CC(N)=O)nc2-c2nn(C)c3c2CCCC3)c1 96149106 VFUWRPIMWDMIEL-UHFFFAOYSA-N 364.453 1.942 0 50 FDAA COCCN(C)C[C@@H]1CN(C(=O)c2cc3c(C)cccc3n2C)C[C@@H]1CO 91651543 BZTFHLHWQXQBLG-IAGOWNOFSA-N 373.497 1.745 0 50 FDAA COCCN(C)C[C@@H]1CN(C(=O)c2cc(Cl)ccc2F)C[C@@H]1CO 91364547 SOKYZIHNNKDOEC-CHWSQXEVSA-N 358.841 1.738 0 50 FDAA COc1cccc(CNC(=O)C2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 97600893 ZUFVYQLTXKJODW-MRXNPFEDSA-N 366.483 1.211 0 50 FDAA Cc1ccc(NC(=O)[C@@H]2CNC[C@H](C(=O)NCCc3ccc(C)o3)C2)cn1 95371264 XSSLFNTZZFKTFS-CVEARBPZSA-N 370.453 1.815 0 50 FDAA Cn1cc(NC(=O)C(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)ccc1=O 183145918 WIDVFEBCAUTZSV-WMLDXEAASA-N 369.421 1.608 0 50 FDAA Nc1nscc1C(=O)N[C@H]1C[C@@H](c2cc(O)nc(N3CCCC3)n2)C1 253535571 FTYVVYQGARFHGA-AOOOYVTPSA-N 360.443 1.497 0 50 FDAA Cc1nn(-c2cccc(Cl)c2)nc1C(=O)N1CCO[C@@H](C(=O)O)C1 299750733 OFKGOHKKZHPZDU-GFCCVEGCSA-N 350.762 1.155 0 50 FDAA COCCN1C(=O)N[C@@H]2CN(C(=O)c3ccc(Cl)c(F)c3)CC[C@@H]21 299742356 HHQTYICWLYTDEU-KGLIPLIRSA-N 355.797 1.734 0 50 FDAA CCn1cc(C(=O)N[C@H](CC(C)C)C(=O)O)c(=O)c2cc3c(cc21)OCO3 32603287 QSLIMKYPQSBREK-CYBMUJFWSA-N 374.393 1.979 0 50 FDAA biogenic CCn1cc(S(=O)(=O)N2CC[C@H](Cc3cccc(C(=O)O)c3)C2)cn1 72145119 VYYUZYAAJJIUQM-CQSZACIVSA-N 363.439 1.855 0 50 FDAA O=C(N[C@]1(CO)CCOC1)c1cccc(-n2nccc2C(F)(F)F)c1 185242637 QNILXDOXCCLXFU-HNNXBMFYSA-N 355.316 1.772 0 50 FDAA COc1ccc([C@@H](C)NC(=O)N2CCN(CCOCCO)CC2)cc1C 584904142 QISQXQWGWYHATM-MRXNPFEDSA-N 365.474 1.401 0 50 FDAA C=CC(=O)Nc1ccc(O)c(C(=O)N[C@@H]2c3ccccc3OC[C@H]2O)c1 1875371779 LWDRXNOMMHJPDH-CRAIPNDOSA-N 354.362 1.741 0 50 FDAA CN(C)C(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)CCCC1CCCC1)C2 1875395621 GYKAEQFCHRNDEY-HNNXBMFYSA-N 370.515 1.451 0 50 FDAA CNC(=O)c1ncoc1[C@H]1[C@H]2C[C@H]1N(C(=O)COc1ccc(C)cc1)C2 1875394831 YHYBKYYNYVNYHL-BJJXKVORSA-N 355.394 1.736 0 50 FDAA Cc1nc(CC(=O)N2C[C@H]3C[C@H]2CC[C@H]3NC(=O)c2cn[nH]c2)cs1 1875362167 UAEMYTHUOVXERL-KCPJHIHWSA-N 359.455 1.527 0 50 FDAA CCN(CC(C)(C)O)C(=O)c1nc(C)c(C)c(N2CC[C@@H](N(C)C)C2)n1 1875300307 XLYHJLWMJOCKGT-OAHLLOKOSA-N 363.506 1.467 0 50 FDAA O=C(N[C@@H]1c2ccccc2C[C@H]1NC(=O)C1(n2ccnn2)CC1)C1CC1 1875408120 OZKSRPATRZNVES-HZPDHXFCSA-N 351.410 1.076 0 50 FDAA COc1nn(C)cc1C(=O)N1C[C@@H](c2ccc(F)cc2)CS1(=O)=O 1875285435 NIKOICCSMCUTDS-LLVKDONJSA-N 353.375 1.137 0 50 FDAA CS(=O)(=O)[C@@H](Cc1ccccc1)C(=O)N1CCC2(CCC[C@H]2N)CC1 1875292365 GBOXXKKUMFAANR-DLBZAZTESA-N 364.511 1.762 0 50 FDAA C[C@@H]1CN(S(=O)(=O)CCN[C@H]2CCCC23CCOCC3)C[C@@H](C)O1 885677221 YEDUZODTDNQBAL-OAGGEKHMSA-N 360.520 1.364 0 50 FDAA Cc1cc2ccccc2n1CC(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 886084716 BTAVATCJZKOVRJ-FUHWJXTLSA-N 354.410 1.646 0 50 FDAA Cn1ccnc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cn(C)c2ccccc12 886095542 ZURBUYHNTBJYGU-RHSMWYFYSA-N 351.410 1.662 0 50 FDAA CCc1ocnc1C(=O)N1CC[C@H](Oc2ccnc(CNC(C)=O)c2)C1 886095356 SZGWEKXCXHHCLJ-HNNXBMFYSA-N 358.398 1.562 0 50 FDAA Cc1noc(C[C@@]2(O)CCCN(C(=O)C(F)(F)C3CCOCC3)C2)n1 886096565 MAVUFORGMRXJRT-HNNXBMFYSA-N 359.373 1.336 0 50 FDAA CCN1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3c(CO)noc3C)C2)[C@H]1C(C)C 888094645 GUKSIKNZIDAOKI-BQUDOFGOSA-N 351.447 1.075 0 50 FDAA COC1CC(C(=O)N[C@H]2COC[C@H]2Oc2cnn(-c3ccccc3)c2)C1 888095140 QXFJZXGCZIMHJP-NWCILSHNSA-N 357.410 1.560 0 50 FDAA Cn1nc(C[C@H]2CCCC[C@H]2NCc2ccnn2CC2CC2)n(C)c1=O 888098347 GFJBBTCPXSXFFY-NVXWUHKLSA-N 358.490 1.616 0 50 FDAA Cn1cnnc1SCC(=O)N1CCC(N2CCc3ccccc3C2)CC1 72454332 VDEJJKVMBUWNFP-UHFFFAOYSA-N 371.510 1.957 0 50 FDAA CC(=O)N[C@@H](CC(=O)N1CCC[C@H](C(=O)O)C1)c1ccc(F)cc1F 165529453 KUIKAVTWJNGCIY-NHYWBVRUSA-N 354.353 1.855 0 50 FDAA Cc1noc(C)c1S(=O)(=O)N[C@H]1CCOC[C@@H]1Oc1cccc(F)c1 1565515621 UMKKLPDGMKGCDO-GJZGRUSLSA-N 370.402 1.945 0 50 FDAA Cn1cccc1-c1cc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccccn2)n[nH]1 1565505545 ZUJXZJIEXKYKEC-GUYCJALGSA-N 367.409 1.777 0 50 FDAA O=C(N[C@H]1CCN(C(=O)c2ccccn2)C[C@@H]1O)c1coc2ccccc12 1565527811 OHNJOKJXQKSTQY-RDJZCZTQSA-N 365.389 1.833 0 50 FDAA COc1ccc(C(=O)N[C@H]2CCOC[C@@H]2OCc2cscn2)cc1O 1565505871 SGRPABSSFVRCDX-BBRMVZONSA-N 364.423 1.961 0 50 FDAA Cc1nn(C)c(C)c1Cc1nc(-c2cc(N3CCN(C)CC3)ccn2)no1 273849376 NNDJJLPMHFSLFD-UHFFFAOYSA-N 367.457 1.825 0 50 FDAA COc1ccc(CNS(=O)(=O)c2cc(C(=O)O)c(C)cc2C)nc1 278338410 USMMAIVNZADTJA-UHFFFAOYSA-N 350.396 1.884 0 50 FDAA COC(=O)[C@@H](C(OC)OC)N1CCC(CN(C)Cc2ccccc2)CC1 170607411 VCONXPICXFLWNH-SFHVURJKSA-N 364.486 1.991 0 50 FDAA O=C(CN1CCC[C@@H]1[C@@H](O)C(F)(F)F)NC[C@H]1COc2ccccc2O1 408512871 KSPYEXPRLKGGJO-HWWQOWPSSA-N 374.359 1.330 0 50 FDAA CN1CCC(n2nccc2NC(=O)CN2CCOc3ccccc3C2)CC1 1506413684 SXXZTEBCIDJHAW-UHFFFAOYSA-N 369.469 1.983 0 50 FDAA CN1C(=O)[C@H]2COC[C@@H]1CN(c1nc(-c3ccccc3)nc3c1CCC3)C2 1704313104 FLNUBCSDKHWGCL-CVEARBPZSA-N 364.449 1.926 0 50 FDAA CNC(=O)[C@H](Nc1ccc(C(=O)N2CCOCC2)cn1)c1ccccc1 1704301361 WINGLZDFYVFFLP-QGZVFWFLSA-N 354.410 1.453 0 50 FDAA Cc1ccnn1CCC(=O)N1CCCN(C(=O)C[C@H]2CCCOC2)CC1 1704357158 CWDBHMMXZDCRAL-QGZVFWFLSA-N 362.474 1.459 0 50 FDAA Cc1cc(-c2ccc(S(=O)(=O)N3CC[C@H](C(=O)O)[C@H](O)C3)s2)on1 1704326251 ZEZVHSPCPWHSIQ-VHSXEESVSA-N 372.424 1.168 0 50 FDAA CC1(C)CNC(=O)C2(CCN(c3nc(-c4ccccc4)no3)CC2)NC1 1772804090 FTJOVFHSSGZQNI-UHFFFAOYSA-N 355.442 1.821 0 50 FDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NC2CCC2)c(OC)c1 11841145 ZQFQOWXLQDDEAR-MRXNPFEDSA-N 361.442 1.063 0 50 FDAA CC(C)CN1CCN(C(=O)c2cn(Cc3ccccc3F)nn2)[C@@H](C)C1=O 12195290 OAIKVBWPPCZEEE-AWEZNQCLSA-N 373.432 1.794 0 50 FDAA COCC(=O)N1CCC[C@@H](CNC(=O)c2cccc(OC)c2OC)C1 12744760 XEGKBDFGRKMIFZ-ZDUSSCGKSA-N 350.415 1.319 0 50 FDAA CS(=O)(=O)N1CCC(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 14116814 RIOVIWSPOPHBGG-UHFFFAOYSA-N 365.455 1.424 0 50 FDAA O=C(Cc1ccc2c(c1)COCC2)N[C@H]1C[C@H](Cn2ccnc2)C[C@@H]1O 1857527198 CMGIWUWFJIVCCR-SNRMKQJTSA-N 355.438 1.454 0 50 FDAA CC[C@]12COC(=O)N1CCN(C(=O)c1ccc(C)c(N3CCNC3=O)c1)C2 1857667031 HYMQBZJASBQWNI-IBGZPJMESA-N 372.425 1.581 0 50 FDAA O=C(Cc1ccccn1)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857676728 WVIGMHNNKISTMJ-FQEVSTJZSA-N 351.406 1.900 0 50 FDAA Cc1nc(CN2CCC3(CC2)CN(Cc2ccccn2)C(=O)CCO3)n[nH]1 1857725962 BZWXMKOTYXNOCB-UHFFFAOYSA-N 370.457 1.292 0 50 FDAA C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)N1C[C@@H](C)O[C@H](C)C1 12191983 XWQVDFNFNSKQER-UTUOFQBUSA-N 360.863 1.643 0 50 FDAA C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCn2nc(C3CC3)cc2C1 932610433 IPCIXVCULYMWPY-CJNGLKHVSA-N 359.474 1.981 0 50 FDAA COC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nc2cccnc2[nH]1 4625706 MVPDKNORQGKRCN-CQSZACIVSA-N 370.434 1.951 0 50 FDAA C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)[C@H](O)CO 4727169 FFPUNPBUZDTHJI-ZFOKFBPFSA-N 368.514 1.445 0 50 FDAA endogenous,in-man CCCc1nc(NC(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)n[nH]1 2100557481 VESIZWAEKZUSRG-CVEARBPZSA-N 370.413 1.222 0 50 FDAA Cn1ccnc1[C@@](O)(CCNC(=O)C[C@@](C)(N)C(F)F)C(F)(F)F 2325789514 VCAMVYADZGOCKN-NEPJUHHUSA-N 358.311 1.049 0 50 FDAA C[C@@H]1CN(c2cc(C(=O)NC[C@H]3COCCC3(F)F)ccn2)CCO1 2325791381 UAYBOTQXMWATCA-OCCSQVGLSA-N 355.385 1.708 0 50 FDAA COc1cccc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)c1 1148042 MCVWCMAWHNPQRZ-UHFFFAOYSA-N 360.391 1.869 0 50 FDAA CCn1c(C)cn2c3c(=O)n(CCc4ccccc4)c(=O)n(C)c3nc12 4250943 HIRHUTUBMBREQG-UHFFFAOYSA-N 351.410 1.720 0 50 FDAA Cc1ccc(C(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1 4487265 BHRPHPLBDIRVMP-UHFFFAOYSA-N 365.499 1.874 0 50 FDAA COC(=O)c1cccc(C(=O)NC(=S)Nc2ccc(C(N)=O)cc2)c1 10011718 ZAADUQBDTVIDTE-UHFFFAOYSA-N 357.391 1.699 0 50 FDAA CCn1cc(CN2CCCN(C(=O)NCc3c(C)noc3C)CC2)cn1 112718184 GFHFQXOWAQMRON-UHFFFAOYSA-N 360.462 1.925 0 50 FDAA Cc1ccccc1-n1c(SCC(=O)N2CCOCC2)nc(O)cc1=O 8642563 KDNCLUNKFHVYEM-UHFFFAOYSA-N 361.423 1.197 0 50 FDAA Cn1cc([C@H]2CCN(C(=O)NCCNC(=O)c3ccc(F)cc3)C2)cn1 116431412 ZVRCZFARBCSCQM-AWEZNQCLSA-N 359.405 1.488 0 50 FDAA COC(=O)c1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c[nH]1 20510456 UNPQMLYZKBJBCZ-UHFFFAOYSA-N 363.439 1.308 0 50 FDAA CS(=O)(=O)Cc1nc(CN2CC[C@H](Oc3cccnc3)C2)cs1 152277890 NFNHKPPCECMOQY-AWEZNQCLSA-N 353.469 1.736 0 50 FDAA CCn1c([C@H]2CCCN(C(=O)Cc3ccc(CO)cc3)C2)nn(C)c1=O 67869082 VBRBZVYHXFHBLZ-INIZCTEOSA-N 358.442 1.043 0 50 FDAA CCn1ccnc1CNC[C@]1(O)CCCN(Cc2cccc(OC)c2)C1=O 67868423 QAVZPDBQLYHZKM-HXUWFJFHSA-N 372.469 1.555 0 50 FDAA CSCC[C@@H](C(=O)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1)n1cccc1 409413718 KTKNEQCKVRLSBY-AWEZNQCLSA-N 358.423 1.951 0 50 FDAA Cc1nn(C)cc1S(=O)(=O)Nc1ncn(Cc2ccccc2Cl)n1 2804706 ZISGKUJYRAJCNH-UHFFFAOYSA-N 366.834 1.823 0 50 FDAA O=C(N[C@H]1CC(=O)N(C2CCCCCC2)C1)c1ccccc1-c1nnn[nH]1 72150591 NRNSFECLWWEWFH-ZDUSSCGKSA-N 368.441 1.920 0 50 FDAA Cc1ccc(C)c(-c2n[nH]cc2CN2CCN[C@H](C(=O)NC3CC3)C2)c1 72150180 UUIQBIKUURVXAR-SFHVURJKSA-N 353.470 1.746 0 50 FDAA Cc1c[nH]c(C(=O)N2CCc3c(nc(-c4ccncc4)nc3N(C)C)C2)n1 71764858 FHFGWTZYSRNSBJ-UHFFFAOYSA-N 363.425 1.835 0 50 FDAA Cn1c(CN2CCCC2)nnc1[C@H]1CCCN(C(=O)C2(C)CCNCC2)C1 72408825 CMTSCORIHIWPHW-INIZCTEOSA-N 374.533 1.507 0 50 FDAA CCCCN(C(=O)CN1CCCc2occc2C1)[C@@H]1CCS(=O)(=O)C1 368565531 DRZLALDFCKCXSE-MRXNPFEDSA-N 368.499 1.844 0 50 FDAA Cn1ccnc1[C@H]1CNCCN1S(=O)(=O)c1ccc2ccccc2c1 261962862 HOEPTERLWSUFJQ-QGZVFWFLSA-N 356.451 1.909 0 50 FDAA O=C(O)c1ccnc(-c2ccnc(NCCN3CCCC[C@@H]3CO)n2)c1 72480349 ZQUBXBUROKAPTH-CQSZACIVSA-N 357.414 1.496 0 50 FDAA Cc1nnnn1CCC(=O)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1 218980903 OZLYTFBNMBQBFS-HNNXBMFYSA-N 367.413 1.828 0 50 FDAA COCCc1noc(CN2C(=O)N[C@]3(CCc4ccc(OC)cc43)C2=O)n1 372070090 KBUWUBTXQWOVOS-SFHVURJKSA-N 372.381 1.161 0 50 FDAA COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NC1CC1 72446766 UBDAWBFQIYBVGR-UHFFFAOYSA-N 352.456 1.691 0 50 FDAA CCCn1[nH]cc/c1=N\C(=O)CN1CC[C@@H](c2ccccc2)[C@@H](CO)C1 375685644 SSCFORYRXCZBHR-SSKHJAIJSA-N 356.470 1.752 0 50 FDAA CCO[C@@H]1C[C@@](NC(=O)c2ccc(-n3cnnc3)cc2)(C(=O)O)C1(C)C 262811181 ODAJQXXHAAYJNX-RDTXWAMCSA-N 358.398 1.656 0 50 FDAA Cc1cccc2ncc(C(=O)N3CCC(N4CCC[C@@H](O)C4)CC3)c(=O)n12 72137082 DUBVLLVHZDKLOV-MRXNPFEDSA-N 370.453 1.064 0 50 FDAA Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(C(=O)c2cnccn2)C1 72435237 XLDJILHSINWCBF-HNNXBMFYSA-N 369.473 1.611 0 50 FDAA CC[C@H](NC(=O)c1cn2c(n1)CNCC2)c1ccc(S(C)(=O)=O)cc1 72149997 PLIYUJBDNZCIQL-AWEZNQCLSA-N 362.455 1.271 0 50 FDAA CN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1c[nH]c(=O)[nH]c1=O 77286266 CLMKFZJWJOCPSG-UHFFFAOYSA-N 356.426 1.047 0 50 FDAA C[C@](O)(CNC(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1)C(=O)O 263515606 ZOVBMCHXDWYMFU-LBPRGKRZSA-N 369.271 1.318 0 50 FDAA CCc1ccc(CN2CCCn3nc(CNS(C)(=O)=O)cc3C2)nc1 82108761 NNRSFBAXVVLVOJ-UHFFFAOYSA-N 363.487 1.296 0 50 FDAA CN(C)c1nc(N)nc(CNC(=O)CSc2cn(C)c3ccccc23)n1 426380341 HEPKYCVXMZCUIV-UHFFFAOYSA-N 371.470 1.420 0 50 FDAA CS(=O)(=O)N1CCC[C@H](C(=O)NCCSCc2ccccc2)C1 44388382 ZUZAMKOUPUCEMG-HNNXBMFYSA-N 356.513 1.708 0 50 FDAA COCc1cc(CNC(=O)N2CCN(c3ccccc3OC)C[C@@H]2C)[nH]n1 426410469 ITOJPYGWYFHBJC-AWEZNQCLSA-N 373.457 1.985 0 50 FDAA COc1cc(N[C@@H]2COCC[C@@H]2OCc2c(C)noc2C)nc(OC)n1 220483922 ZPNWFWVZXSLIOE-KGLIPLIRSA-N 364.402 1.885 0 50 FDAA CC(C)NC(=O)c1cccc(-c2ccc(C(=O)N(C)C[C@@H](O)CO)cc2)c1 426428674 AEZDSJREUJLUNI-LJQANCHMSA-N 370.449 1.917 0 50 FDAA COCCN1C[C@@H](C(=O)N2CCc3[nH]c(-c4ccccc4)nc3C2)CC1=O 95531834 VMNOBWAPWBDWLP-HNNXBMFYSA-N 368.437 1.456 0 50 FDAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2csc(C)n2)CN1Cc1ccccn1 91656844 PQUZWNLPBRKZNK-ZBFHGGJFSA-N 373.482 1.356 0 50 FDAA COC(=O)c1cnc2c(c1)n(Cc1cnn(C)c1)c(=O)n2CCC(C)C 95507936 UMSJKDJYSJQAQS-UHFFFAOYSA-N 357.414 1.813 0 50 FDAA CCCCn1nccc1NC(=O)NCCc1ccc(S(N)(=O)=O)cc1 96136380 FUNYEBFAOSHWCH-UHFFFAOYSA-N 365.459 1.695 0 50 FDAA COc1ccccc1N1C[C@@H](NC(=O)CCn2c(C)cccc2=O)CC1=O 426369093 BYIAHJYPAPPESQ-HNNXBMFYSA-N 369.421 1.477 0 50 FDAA COCC(=O)N1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2 91452488 UHWORONFBUDXFK-UHFFFAOYSA-N 352.381 1.952 0 50 FDAA Cc1ccc(C)c(S(=O)(=O)N2CCC3(CC2)NC(=O)C[C@H]3C(=O)O)c1 95389349 FBZWVPMHEMOVFP-ZDUSSCGKSA-N 366.439 1.047 0 50 FDAA Cc1cc(C(=O)N2Cc3nc[nH]c3C[C@H]2C(=O)O)ccc1N1CCOCC1 96164857 DRVQFJMOFOBTKL-KRWDZBQOSA-N 370.409 1.206 0 50 FDAA COc1ccc([C@@H]2CCNC[C@@H]2NC(=O)N2CC3(CCCOC3)C2)cc1 333747719 YOCCSEHXWZGYCB-ROUUACIJSA-N 359.470 1.963 0 50 FDAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(S(=O)(=O)c1ccc(F)cc1F)C2 91872615 PPQAPBSGRWEUHM-WCQYABFASA-N 358.410 1.986 0 50 FDAA CCS(=O)(=O)N1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 91535234 NEJSHXKXONQZLY-UHFFFAOYSA-N 364.475 1.387 0 50 FDAA COCCN1CC[C@@]2(CCC1=O)CN(Cc1cc(C)no1)CCN2C 91808872 FPJBPBTYGHXPMB-SFHVURJKSA-N 350.463 1.128 0 50 FDAA Cc1cccn2c(CC(=O)N3C[C@@H](C(=O)O)[C@H](c4ccccn4)C3)cnc12 91860559 DSMCGEKHOWRKHD-HZPDHXFCSA-N 364.405 1.907 0 50 FDAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)C2(C)COC2)CN1C/C=C/c1ccccc1 92001410 NREYUMQSTRXFQP-WGDYAQENSA-N 371.481 1.432 0 50 FDAA COCc1noc(CCNC(=O)Nc2cccc(-c3nc(C)n[nH]3)c2)n1 96151139 KPWVKPXUTDRYLV-UHFFFAOYSA-N 357.374 1.674 0 50 FDAA COc1ccccc1N1C[C@@H](C(=O)N[C@@H](CO)CCSC)CC1=O 230211818 XXDMNLOLXLYKJE-QWHCGFSZSA-N 352.456 1.278 0 50 FDAA CCc1ccc(N2C[C@@H](C(=O)Nc3ccn(CC(=O)O)n3)CC2=O)cc1 268928570 HNXASFVMVABMGI-ZDUSSCGKSA-N 356.382 1.522 0 50 FDAA Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N(CCC(=O)O)C1CCOCC1 237456657 YRCKREVFASRAFH-GFCCVEGCSA-N 351.447 1.698 0 50 FDAA O=C(CN1CCOC1=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2=O 95391337 RIEQSEHBTCNVAK-JKSUJKDBSA-N 357.410 1.088 0 50 FDAA O=C(N[C@@H]1CCN(Cc2ccccn2)C[C@H]1O)C1(N2CCCC2)CCCC1 244715763 LBSDYWYWLCRHAK-RTBURBONSA-N 372.513 1.542 0 50 FDAA Cc1ccc(C(=O)N[C@H]2C[C@H](c3nnc(Cn4ccnc4)n3C)C2)c(O)c1 244602087 DXIDKVKHNOVUMI-HDJSIYSDSA-N 366.425 1.750 0 50 FDAA Cn1cc([C@@H](NC(=O)c2cc(O)nc3ccccc23)[C@H]2C[C@H](O)C2)cn1 253535414 OYLPQEWUUPWCIE-FNFWKMNBSA-N 352.394 1.916 0 50 FDAA COC(=O)c1cnc(O)c([C@H](CC(N)=O)c2ccc3ncccc3c2)c1O 253624008 YXCLKNRBHQBWRD-GFCCVEGCSA-N 367.361 1.835 0 50 FDAA biogenic C[C@]1(NC(=O)c2cccc(-c3cnn4cccnc34)c2)CCS(=O)(=O)C1 534590033 XMQCKYIKZNBDJO-SFHVURJKSA-N 370.434 1.703 0 50 FDAA CSCCCNC(=O)NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2 534673037 SRFCWQJGFSZUEI-UHFFFAOYSA-N 365.503 1.578 0 50 FDAA Cc1ccccc1CN1CC[C@H](CNC(=O)N2CCC(C(N)=O)CC2)C1 534631092 TUBIWYXQABSVKA-MRXNPFEDSA-N 358.486 1.724 0 50 FDAA CO[C@@]12CC[C@@H](NC(=O)c3ccnn3C)C[C@@H]1N(Cc1ccco1)CC2 534637047 KGZZSIZVISDCLX-DKSSEZFCSA-N 358.442 1.955 0 50 FDAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CC[C@H]2OCc3cnnn3[C@H]2C1 299756145 DGDHDAKMQNPMHV-DLBZAZTESA-N 350.382 1.654 0 50 FDAA CSCc1ccc(C(=O)N2CCN(CCN3CCOCC3)CC2)o1 299760804 PBBQQPPKVFGGMI-UHFFFAOYSA-N 353.488 1.233 0 50 FDAA O=C(CCn1c(CO)nc2ccccc21)NCc1noc([C@H]2CCCO2)n1 299801036 XYLZWYXDTZNGSO-CQSZACIVSA-N 371.397 1.470 0 50 FDAA CCN1C[C@H](NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)CC1=O 299776289 MZTIVNCWERCPFJ-SECBINFHSA-N 365.739 1.258 0 50 FDAA Cc1ccc(N2C[C@@H](NC(=O)CCc3c(C)nc(O)nc3C)CC2=O)cc1 299778785 NNDUJQYTYSFMHY-HNNXBMFYSA-N 368.437 1.962 0 50 FDAA CCO[C@H]1COC[C@@H]1NC(=O)N1CCCN(Cc2ccccc2F)CC1 584891940 WOGQQGDVAATLBU-ROUUACIJSA-N 365.449 1.847 0 50 FDAA CC(C)(C)c1cc(CN2CCOC3(CCN(S(C)(=O)=O)CC3)C2)[nH]n1 824864482 VDZUYJBJLBDTDT-UHFFFAOYSA-N 370.519 1.334 0 50 FDAA CC(C)CN1CCN(C(=O)NCCc2noc(C(C)C)n2)C[C@@H]1CCO 584904215 CWRZVYRWOJCKNJ-HNNXBMFYSA-N 367.494 1.470 0 50 FDAA O=C(NCCc1noc(CO)n1)N1CCC(Oc2ccccc2F)CC1 584900630 WEPJNZJIBUXPHG-UHFFFAOYSA-N 364.377 1.497 0 50 FDAA C=CC(=O)N(C)c1ccc(C(=O)NCCN2CCN(C)C(C)(C)C2)cc1 1875373666 KBXAXHLQEZSAPU-UHFFFAOYSA-N 358.486 1.591 0 50 FDAA C=CC(=O)N[C@H]1C[C@H](NC(=O)c2cnc(C(F)(F)F)nc2)C12CCC2 1875386020 HJTWTJWCAWMHQM-QWRGUYRKSA-N 354.332 1.839 0 50 FDAA C=CC(=O)NCCC(=O)N1CCN(C(=O)Nc2ccc(OC)cc2)CC1 1875370601 VHDLTKRCZKXQOY-UHFFFAOYSA-N 360.414 1.064 0 50 FDAA C=CC(=O)N(C)c1ccc(C(=O)Nc2cn(C)nc2C(=O)N2CCC2)cc1 1875373586 GWWKISHLHVXECL-UHFFFAOYSA-N 367.409 1.667 0 50 FDAA C=CC(=O)N(C)c1ccc(C(=O)N2C[C@H](C)S(=O)(=O)[C@H](CC)C2)cc1 1875372006 TXCXOHWILUZFCO-XJKSGUPXSA-N 364.467 1.873 0 50 FDAA O=C(Cn1cncn1)N[C@@H]1C[C@H](Cn2ccnc2-c2ccccc2)C[C@H]1O 1875402838 MVEJDCAVCBLOMY-USXIJHARSA-N 366.425 1.098 0 50 FDAA CNC(=O)C[C@@H]1CN(C(=O)CCCOc2ccc3c(c2)CCCC3)C[C@H]1O 1875403930 LUSLEZQCUOKUBU-IEBWSBKVSA-N 374.481 1.680 0 50 FDAA NC(=O)CN1CCC[C@@H](C(=O)N[C@H](c2ccccc2)c2ccncc2)C1 952982999 QVFSJUASTNWOJF-IEBWSBKVSA-N 352.438 1.485 0 50 FDAA CCN1CCO[C@@H](CNC(=O)c2[nH]ccc2C2CC2)[C@@H]1c1nccn1C 886027386 VYGAUBNSTHXAAU-DOTOQJQBSA-N 357.458 1.817 0 50 FDAA COCCN(C)C[C@@H]1C[C@H](CO)CN(C(=O)c2ccc(F)cc2C)C1 1565513126 AIVVITRTGRCUNM-HOTGVXAUSA-N 352.450 1.783 0 50 FDAA Cc1ccc(CN2CC[C@H](NC(=O)c3ccc4nnn(C)c4c3)C2=O)cc1 191618634 WXPVZEVBTXSDJG-KRWDZBQOSA-N 363.421 1.808 0 50 FDAA CC(C)N1C(=O)CO[C@H](C(=O)NCCCn2ccnc2)[C@H]1c1ccccc1 1529099991 LAJIOFKNVMAGPS-MOPGFXCFSA-N 370.453 1.767 0 50 FDAA CCN(Cc1c(C)nn(C)c1C)C(=O)[C@H]1OCC(=O)N[C@@H]1c1cccnc1 1529167760 OFKGNAJGVVEHRX-MSOLQXFVSA-N 371.441 1.037 0 50 FDAA Cc1cc(C)n2ncc(CN3CCCN(C(=O)[C@@H]4CCOC4)CC3)c2n1 1800411180 HLTDASOOTXVOTL-MRXNPFEDSA-N 357.458 1.417 0 50 FDAA CC(C)c1cc(C(=O)N2CC[C@@]3(C(=O)O)CCCN(C)[C@@H]3C2)nc(N)n1 1704338004 JVBBHJLDZCHPLM-KDOFPFPSSA-N 361.446 1.193 0 50 FDAA NCCCN1C(=O)CC[C@@H]2CN(c3nc(-c4ccccc4)no3)CC[C@@H]21 215247719 KIPUOUOJGZZSGR-CVEARBPZSA-N 355.442 1.903 0 50 FDAA Cc1cc(C(F)(F)F)nc(N2CCN(C[C@H]3CCC(=O)N(C)C3)CC2)n1 1775978508 OQVSDXCNNYITNY-ZDUSSCGKSA-N 371.407 1.794 0 50 FDAA CCn1nccc1-c1nnc2n1C[C@@]1(CCN(c3nnc(C)s3)C1)OC2 1772706163 PBCOZUHNAUYMCW-INIZCTEOSA-N 372.458 1.501 0 50 FDAA C[C@@H]1C(=O)N2CCC[C@@H]2CN1S(=O)(=O)c1cccnc1C(F)(F)F 1772712386 LUGRHDFSLOHFLG-NXEZZACHSA-N 363.361 1.484 0 50 FDAA CC(C)C1=NO[C@H](C(=O)N2CCCN(Cc3cnn4cccnc34)CC2)C1 1775980997 NBIKRUVJFMXWAY-KRWDZBQOSA-N 370.457 1.565 0 50 FDAA Cc1nn(C)c(C)c1CCC(=O)N1CCCN(CCn2ccnc2)CC1 1772819814 UNWYUWSHUPQJEO-UHFFFAOYSA-N 358.490 1.401 0 50 FDAA Cc1ccc(Oc2ncccc2CNC(=O)C2=NN(C)C(=O)CC2)cn1 12314541 GTJWABHZYXRLCN-UHFFFAOYSA-N 353.382 1.802 0 50 FDAA COCCNC(=O)c1cccc(OC2CCN([C@H](C)COC)CC2)c1 12578445 OYFHUZULQOSPMC-OAHLLOKOSA-N 350.459 1.941 0 50 FDAA O=C(N[C@H]1CCSC1=O)c1ccc(C(=O)N[C@@H]2CCSC2=O)cc1 18127939 FCATUVTYDNSUCX-TXEJJXNPSA-N 364.448 1.210 0 50 FDAA COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cc2n(n1)CCN(C)C2=O 1857674462 JNFMHHILHSFBLP-HNNXBMFYSA-N 354.410 1.785 0 50 FDAA O=C1OC[C@]2(Cc3ccccc3)CN(S(=O)(=O)CC3CC3)CCN12 1857681605 GXLGQRVSTQFBTQ-KRWDZBQOSA-N 350.440 1.476 0 50 FDAA Cc1nnc(N2C[C@@H](C(=O)NCCOCc3ccccc3)CC2=O)s1 1857708624 DBJKOAYGXKZAGE-AWEZNQCLSA-N 360.439 1.532 0 50 FDAA N=c1[nH]c(C(=O)N2C[C@@H]3OCCC(=O)N(Cc4ccccc4)[C@H]3C2)cs1 1857730940 DGOYXAAGBKLTHF-GJZGRUSLSA-N 372.450 1.198 0 50 FDAA O=S(=O)(CC1CCCC1)NC[C@H]1[C@H]2CN(CC3CC3)C[C@]23CC[C@H]1O3 1857739779 RVMIWWDNUGDDNK-WJFTUGDTSA-N 368.543 1.985 0 50 FDAA COc1ccc(C(=O)N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)c(OC)n1 1857740197 CZUCJYDEHMBMTO-NRTGNBEESA-N 361.442 1.280 0 50 FDAA COc1ccc(Cl)cc1CC(=O)NCC1CCN(S(C)(=O)=O)CC1 116336181 GBZHKOWIGDZGSO-UHFFFAOYSA-N 374.890 1.679 0 50 FDAA CC1(C)CN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C[C@]2(CCOC2)O1 330075188 DCESOVGQLQPOFM-KUHUBIRLSA-N 350.459 1.574 0 50 FDAA COc1ccc(S(=O)(=O)N2CC(NC(=O)N3CCC[C@@H](C)C3)C2)cc1 333060724 MZYFHOUVVUHLEX-CYBMUJFWSA-N 367.471 1.510 0 50 FDAA O=C1CC[C@@H](N2CCN(C(=O)COc3ccccc3Cl)CC2)CCN1 333534502 QVMLAYWZAWLNIJ-CQSZACIVSA-N 365.861 1.532 0 50 FDAA C[C@@H](Cc1ccccc1Cl)C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 130942501 INWLPEZYHHKFFC-QWHCGFSZSA-N 373.906 1.550 0 50 FDAA CN(CCc1nccs1)Cc1nnc2n(C)c(=O)c3sccc3n12 157830216 JOSLIFNQPDYMEH-UHFFFAOYSA-N 360.468 1.774 0 50 FDAA CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cccc3[nH]ncc23)C1 938427709 SOQDIUDPYSJGHR-QEORTHHSSA-N 356.426 1.709 0 50 FDAA COc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1 3910363 YEAGGNXGGVJLQP-UHFFFAOYSA-N 350.400 1.401 0 50 FDAA Cc1cnn(C2CCN(C(=O)C(=O)N=c3cc(C(C)(C)C)o[nH]3)CC2)c1 2325728080 ABVPRWSKZAKRMY-UHFFFAOYSA-N 359.430 1.701 0 50 FDAA COc1ccc2c(c1)OCCN(C(=O)c1cc(NC(C)=O)cnc1O)C2 2325879557 ZHBBUKYZDBDDAC-UHFFFAOYSA-N 357.366 1.789 0 50 FDAA CCC[C@H]1CN(C(=O)C(=O)N2CCn3c(cnc3C(F)(F)F)C2)CCO1 910652712 CSNQKAQLELHQRW-LBPRGKRZSA-N 374.363 1.272 0 50 FDAA CC(=O)NS(=O)(=O)c1ccc(NC(=S)NC(=O)CC(C)C)cc1 1155611 AXVLITOTHFLNGA-UHFFFAOYSA-N 357.457 1.371 0 50 FDAA COC(=O)c1ccc(N(C(=O)C(F)(F)F)[C@@H]2C=CS(=O)(=O)C2)cc1 1295422 INXOYAADWKOYAB-LLVKDONJSA-N 363.313 1.679 0 50 FDAA CCC[C@@]1(CO)CN(Cc2ccc(OCC(N)=O)c(Cl)c2)CC[C@@H]1O 2356138388 LHVJIDWTNXDBKE-WMZOPIPTSA-N 370.877 1.550 0 50 FDAA O=C(c1cc(-c2ccccc2O)[nH]n1)N1CCc2nc(C3CC3)nn2CC1 2356162012 TWOXJEVZRGQCHL-UHFFFAOYSA-N 364.409 1.950 0 50 FDAA COC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 4488398 FBOMPMWRNGYZTB-CYBMUJFWSA-N 370.471 1.247 0 50 FDAA CCOC(=O)c1n[nH]cc1CN(CCN1CCOCC1)Cc1ccco1 55119234 RIWHNDOCAJQGKE-UHFFFAOYSA-N 362.430 1.514 0 50 FDAA COCCN1CC[C@]2(CCC1=O)CN(Cc1coc(C)n1)CCN2C 107668696 UTKPOSIPABIJNG-GOSISDBHSA-N 350.463 1.128 0 50 FDAA COc1cc(CNC(C)(C)C)ccc1OC[C@@H](O)CN1CCOCC1 20455479 WNTCOCYLFAKHHE-INIZCTEOSA-N 352.475 1.655 0 50 FDAA CC[C@H](NCc1ccc(OCC(=O)N2CCOCC2)cc1)c1ccnn1C 55060635 JCLDWLXKBDGCSV-SFHVURJKSA-N 372.469 1.899 0 50 FDAA Cc1cc(S(=O)(=O)N2CCN(C)[C@]3(CCNC(=O)CC3)C2)c(C)s1 107409564 AEVLZWAZIRZDAT-MRXNPFEDSA-N 371.528 1.340 0 50 FDAA O=C(c1ccc(N[C@H]2CCCNC2)nc1)N1CCC(N2CCOCC2)CC1 67603573 DCODPNQTQBSKOZ-KRWDZBQOSA-N 373.501 1.182 0 50 FDAA CC(C)(C)C(=O)N1CCN(CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 65397256 LESUOBSMCZHYBL-UHFFFAOYSA-N 360.458 1.304 0 50 FDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NCc1ncc[nH]1)CO2 67954453 QBCCISYHHYLVLQ-ZDUSSCGKSA-N 357.414 1.015 0 50 FDAA O=S1(=O)CC[C@H](N(C[C@H]2CCCO2)C(=S)N[C@H]2C[C@H]3CC[C@H]2C3)C1 252475308 XXGLCVJYUUMLJT-GVRJEKJASA-N 372.556 1.718 0 50 FDAA O=C(COc1ncnc2ccccc12)N[C@H]1CCOC2(CCOCC2)C1 77504987 PJILMWQDOHUDDN-AWEZNQCLSA-N 357.410 1.853 0 50 FDAA O=C(NC[C@H]1CCCN(S(=O)(=O)c2ccsc2)C1)c1cccnc1 12589411 QILMDEMKRGOBPQ-CYBMUJFWSA-N 365.480 1.974 0 50 FDAA CN(CCc1ccccn1)c1ncccc1CNC(=O)c1ccc[nH]c1=O 67973974 YPPZMXGFBFIPSN-UHFFFAOYSA-N 363.421 1.774 0 50 FDAA COc1cc(C(C)=O)ccc1OCc1cc(C(=O)N2CC[C@H](O)C2)no1 67983336 DRQCMBLPXBWYIL-ZDUSSCGKSA-N 360.366 1.672 0 50 FDAA Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(N)=O 363918022 OAMHZZAWAHFYEH-IAGOWNOFSA-N 369.469 1.980 0 50 FDAA O=C1NCCN(S(=O)(=O)NCc2ccccc2)[C@@H]1c1cccc(F)c1 71714908 HAWPBDBQNKZUSJ-MRXNPFEDSA-N 363.414 1.333 0 50 FDAA CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1n[nH]c2cc(F)ccc12 331735476 UOXVDMYXMZLZGU-CYBMUJFWSA-N 354.407 1.845 0 50 FDAA CCn1cnc2c(N[C@@H]3CCC(=O)N(C)[C@H]3c3ccnn3C)ncnc21 284919702 PMDPHCDCARMLKE-IAQYHMDHSA-N 354.418 1.354 0 50 FDAA COc1ccc(C(=O)N2CCN(C(=O)C[C@H](C)n3ccnc3)CC2)cc1 77390015 HFJHKTPQQZWRHI-HNNXBMFYSA-N 356.426 1.827 0 50 FDAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1)NCC1CC1 72153041 BQIRVQBNFPMUKS-OAHLLOKOSA-N 369.387 1.922 0 50 FDAA Cc1ccc([C@@H]2CN(C(=O)c3cccnn3)C[C@H]2NC(=O)C2CC2)cc1 77387023 MJSFVEMGHMBSOB-FUHWJXTLSA-N 350.422 1.919 0 50 FDAA c1ncn2c1CN(Cc1cc3n(n1)CCCN(C[C@@H]1CCOC1)C3)CCC2 72143573 CJRKXDVIEUIWHZ-KRWDZBQOSA-N 370.501 1.728 0 50 FDAA O=C(CCc1nc(Cl)n[nH]1)N1CCC2(CC1)c1ccccc1C[C@@H]2O 72154208 UFVPCMZLLGXFAU-AWEZNQCLSA-N 360.845 1.868 0 50 FDAA NC[C@@H]1CCN(C(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)C1 378188577 SHGCOEYCFLNQJD-XLWVJDPXSA-N 363.458 1.524 0 50 FDAA COCCCn1cnnc1CNc1nc(C2CC2)nc2c1CCNCC2 72421423 PYGRQIJACAIORY-UHFFFAOYSA-N 357.462 1.282 0 50 FDAA Cc1nccn1C[C@@H]1CCCN(Cc2cnc(N3CCOCC3)nc2)C1 72156663 GJIRIMXPSDIWPP-QGZVFWFLSA-N 356.474 1.730 0 50 FDAA CN(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)CCc1ccc3c(c1)OCO3)C2 72163577 XUEAQWKTXGVVFQ-UHFFFAOYSA-N 370.409 1.082 0 50 FDAA Cc1cc(C)n(-c2ccc(CNC(=O)[C@@H]3CCn4cncc4C3)cn2)n1 131217268 CAGFKTSKJMUIDX-MRXNPFEDSA-N 350.426 1.959 0 50 FDAA Cn1cc([C@@H](NC(=O)c2cn3cc(Cl)ccc3n2)C2CC(O)C2)cn1 222871492 DHXBPOPVUPUGKR-MEKTXKAGSA-N 359.817 1.963 0 50 FDAA CC(=O)NCc1cc2n(n1)CCN(C(=O)[C@@H](c1ccccc1C)N(C)C)C2 426690217 BZXGHIRGKLHTIR-LJQANCHMSA-N 369.469 1.473 0 50 FDAA CCN(C(=O)NCc1cc2cc(OC)ccc2[nH]1)[C@H]1CCS(=O)(=O)C1 426632887 OFPHPRPSRFXJHK-AWEZNQCLSA-N 365.455 1.895 0 50 FDAA CC(C)C(=O)Nc1cc(NC(=O)NCCNS(C)(=O)=O)ccc1F 426529465 UAPUPZGPNNIPEX-UHFFFAOYSA-N 360.411 1.091 0 50 FDAA Cc1cc(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)c2cc(Cl)ccc2n1 426493077 CZERTRBFRSIVIT-NSHDSACASA-N 367.858 1.947 0 50 FDAA CCCCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccn(C)n1)CC2 91468605 GXCSFNILQOYBNJ-UHFFFAOYSA-N 356.474 1.933 0 50 FDAA O=C(c1ccc(-c2cnco2)cc1)N1CC[C@@]2(CCCN(CCO)C2=O)C1 92004232 JAXNFULIPYEQOT-FQEVSTJZSA-N 369.421 1.789 0 50 FDAA COc1ccccc1[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1C(=O)O 92097407 NEGRCPDFZDKOGW-LSDHHAIUSA-N 356.378 1.184 0 50 FDAA CCc1cnc(C)nc1N1CCC(NCCCc2nnc(N)s2)CC1 96166077 NCYWELMQPGJZHD-UHFFFAOYSA-N 361.519 1.972 0 50 FDAA Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccccn1)C2 91809073 SWCQPMZXWOEHQL-LSDHHAIUSA-N 354.410 1.950 0 50 FDAA CNc1ncc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc4c(c3)OCO4)C2)cn1 91745254 JYMQWNQOZAIZQU-QWHCGFSZSA-N 370.365 1.187 0 50 FDAA COc1ccnc(N2CCN(C(=O)Nc3ccc4cnn(C)c4c3)CC2)n1 96139593 RUBKXKPOCHYSQK-UHFFFAOYSA-N 367.413 1.726 0 50 FDAA COc1ccccc1-n1nc(-c2ccncc2)nc1[C@H](C)NS(C)(=O)=O 96139947 JTQRZQWEGBIWEM-LBPRGKRZSA-N 373.438 1.948 0 50 FDAA NC(=O)c1ccnc(N2CC[C@@]3(CCCN(C4CCOCC4)C3=O)C2)c1 91755769 WBTMYNPROMJPCC-IBGZPJMESA-N 358.442 1.178 0 50 FDAA O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1ccncc1)C2 91820015 ROVHMIQAPVWFOK-DLBZAZTESA-N 350.422 1.782 0 50 FDAA CN1CC[C@@H](N2CC3(CCC2=O)CCN(C(=O)c2cccnc2)CC3)C1 91643241 ARPUQVQEXWKYSO-QGZVFWFLSA-N 356.470 1.631 0 50 FDAA O=C(N[C@@H](c1ccccn1)C(F)(F)F)c1cnc2c(O)cccn2c1=O 97578847 YXJGOOOXMASOSW-LBPRGKRZSA-N 364.283 1.829 0 50 FDAA Cc1cccc([C@H](C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)N(C)C)c1 95365504 SUYGAWIDECWIFT-GOSISDBHSA-N 354.454 1.910 0 50 FDAA CN1C(=O)C[C@H](C(=O)O)C12CCN(CCCOCc1ccccc1)CC2 95386038 IFSSPKAELPCGIV-QGZVFWFLSA-N 360.454 1.991 0 50 FDAA CCCN1CCc2[nH]cnc2C12CCN(C(=O)Cn1ccnc1CC)CC2 95521741 UKPRAZOWJKRONT-UHFFFAOYSA-N 370.501 1.955 0 50 FDAA CCc1ncc(CN2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)cn1 91808696 ONNOHIBJWVNQHA-MRXNPFEDSA-N 366.473 1.792 0 50 FDAA CCCCN1CCc2[nH]cnc2C12CCN(C(=O)[C@H](C)n1cncn1)CC2 92107762 DWYGGGGTIIKIRS-HNNXBMFYSA-N 371.489 1.738 0 50 FDAA C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCC2(CC1)C(=O)NCCCN2C 97632061 INPFFYPVLJBLEE-INIZCTEOSA-N 373.497 1.880 0 50 FDAA Cc1ccc([C@H](C(=O)N2CCN(Cc3noc(C)n3)CC2)N(C)C)cc1 91781508 BBOKPLMKCLOFHY-GOSISDBHSA-N 357.458 1.634 0 50 FDAA CC(C)NS(=O)(=O)N1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1 297411571 PHGRLJFNYUCSCN-UHFFFAOYSA-N 350.444 1.169 0 50 FDAA COc1ccccc1CCNC(=O)CN1CCN(C(=O)c2ccc[nH]2)CC1 244659410 HCEPSCWFUMJIMM-UHFFFAOYSA-N 370.453 1.140 0 50 FDAA Cc1c(-c2cc(CN3CCC[C@H](C(=O)N4CCOCC4)C3)on2)cnn1C 184415996 YRKNXUCDLXJRHF-HNNXBMFYSA-N 373.457 1.454 0 50 FDAA COC(=O)c1cn([C@H](c2ccccc2)c2ncn(C)n2)cc2c(=O)[nH]nc1-2 263587800 LKOQWGVNKNVJCY-OAHLLOKOSA-N 364.365 1.229 0 50 FDAA COCCNC(=O)c1ccc(NC(=O)N2CCN3CCC[C@H]3C2)c(C)c1 299774887 JACJHZAAVJKSPO-INIZCTEOSA-N 360.458 1.683 0 50 FDAA O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)c1cc(COc2cccc(F)c2)[nH]n1 67472953 GAZOLNBNHQMOQW-KGLIPLIRSA-N 358.373 1.621 0 50 FDAA Cc1ccc(-c2noc(CNC(=O)[C@@H]3CCCCn4nnnc43)n2)cc1 299760171 HQAUMHQCBXTDNA-CYBMUJFWSA-N 353.386 1.615 0 50 FDAA Cc1cccc(-n2nc(CC(N)=O)nc2CCOc2ccccc2C)n1 826842493 WWLRDRAWSIJDDA-UHFFFAOYSA-N 351.410 1.928 0 50 FDAA COc1cccc(OC[C@H](O)CNC(=O)NC2(C(=O)O)CCCC2)c1 670452424 IUWUZQPESDFXBI-GFCCVEGCSA-N 352.387 1.132 0 50 FDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCC(F)(F)C3(O)CCOCC3)n[nH]c21 1875396662 QIJRINBCLXWBGH-ZJUUUORDSA-N 359.373 1.339 0 50 FDAA CN(C)C/C=C/C(=O)NCC[C@H]1CSCCN1C(=O)OC(C)(C)C 1875376624 DIHMAMNCBDYVMR-UZYOAWRESA-N 357.520 1.963 0 50 FDAA C=CC(=O)N1CCN(C(=O)[C@H]2Cc3ccc(Cl)cc3C(=O)O2)[C@@H](C)C1 1875381419 UINIQDNHRUETQE-XHDPSFHLSA-N 362.813 1.667 0 50 FDAA N=[S@]1(=O)CCC[C@@]2(CCCN2C(=O)NCc2nnc(O)n2C2CC2)C1 1875396221 ZLPCMVSCOOXBNA-MQNRADLISA-N 368.463 1.203 0 50 FDAA Cc1cc(O)c(C(=O)N[C@H]2C[C@H](NC(=O)C3CCSCC3)C2)nn1 1875332413 QWCFDMFOJDTBJX-HAQNSBGRSA-N 350.444 1.011 0 50 FDAA COc1cccnc1C(=O)N[C@@H]1CN([C@H](C)c2n[nH]c(C)n2)CC1(C)C 1875407110 SUXQWOSRJSGQBB-BXUZGUMPSA-N 358.446 1.718 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2-c2ccccc2)C[C@H]1O)c1cc[nH]n1 1875403200 RQRMMDILTKGVDM-KBRIMQKVSA-N 351.410 1.843 0 50 FDAA COCCN1CC[C@H](CN(C)S(=O)(=O)c2cc(OC)ccc2OC)C1 952965499 PQRDWFLIAUNXII-CQSZACIVSA-N 372.487 1.293 0 50 FDAA CCN1C(=O)C[C@@H](CNS(=O)(=O)CCC2CC2)[C@@H]1c1nccn1C 886033110 FDPXMPGZNGSRQQ-DZGCQCFKSA-N 354.476 1.049 0 50 FDAA Cc1ccc(C(=O)N2CC[C@H](Oc3ccnc(CN(C)C)c3)C2)c(O)n1 886094934 ICJLMFCPJJTFKB-INIZCTEOSA-N 356.426 1.846 0 50 FDAA COc1cccc2[nH]cc(CC(=O)O[C@H]3C(=O)NCC34CCOCC4)c12 1346235238 JKBFMVCQNTYWGW-KRWDZBQOSA-N 358.394 1.557 0 50 FDAA O=C(Cc1cnc2ccccn12)N[C@H]1CCOC[C@@H]1Oc1ccccn1 1565509269 LNUYOYUGUVIXLJ-HOTGVXAUSA-N 352.394 1.625 0 50 FDAA C[C@H]1CCCC[C@@]12CC(=O)NN2C(=O)Cn1cc(C(N)=O)c2ccccc21 1470100734 QVFGDWSECNVVRI-RNODOKPDSA-N 368.437 1.953 0 50 FDAA C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC(=O)N1C 409933042 XWFPQJAMKGNEBG-SSDOTTSWSA-N 355.218 1.984 0 50 FDAA C=CC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 171781434 PGAGTIUVKAFJOO-CQSZACIVSA-N 363.845 1.611 0 50 FDAA CC(C)[C@H]1CN(C(=O)CSc2ccccc2)C[C@@H]1NS(C)(=O)=O 212524959 STAVWHGKUYLUPW-CABCVRRESA-N 356.513 1.811 0 50 FDAA CCc1nc(N)nc(N2CCN(CC(=O)N(C)c3ccccc3)CC2)c1C 1704313119 FYIWZTRZVNDKFI-UHFFFAOYSA-N 368.485 1.715 0 50 FDAA O=C1CC[C@H](C(=O)N2CCCN(c3noc(-c4ccccc4)n3)CC2)N1 1800411196 HVNNFEMVMLGFNY-CQSZACIVSA-N 355.398 1.054 0 50 FDAA CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N2CCCCC2)cc1 19820911 BFBLKQIHHUIZMI-IRXDYDNUSA-N 371.524 1.674 0 50 FDAA Cc1nn(C)c(C)c1CN1CCN(S(=O)(=O)c2ccccc2F)CC1 154681900 ZWOLOFLBXRKLIQ-UHFFFAOYSA-N 366.462 1.683 0 50 FDAA Cc1c[nH]nc1CN[C@@H]1CCN(c2nc(C(=O)N(C)C)nc(C)c2C)C1 1857529714 CIRSNFDSEVHDRY-CQSZACIVSA-N 357.462 1.195 0 50 FDAA COC1(C(=O)NC[C@@H]2CCCO2)CCN(CCc2cccc(C)n2)CC1 1857671860 ULAGMFLMSKXUTR-SFHVURJKSA-N 361.486 1.709 0 50 FDAA Cc1cc(C[C@@H]2CN(Cc3cnn(Cc4ccccc4)c3)C[C@H]2O)n[nH]1 1857716457 NBMNKLFPZZRZPT-UYAOXDASSA-N 351.454 1.998 0 50 FDAA Cc1ncn(C)c1C(=O)NC[C@H]1[C@H]2CN(C3CCCC3)C[C@]23CC[C@H]1O3 1857716577 AZDDCJGMAKIJRS-TVKQPGBESA-N 358.486 1.880 0 50 FDAA c1ccc(Cn2nc([C@H]3CCOC3)nc2-c2cn3c(n2)CCNCC3)cc1 1857724509 YYQAUFUSFYXEIC-INIZCTEOSA-N 364.453 1.840 0 50 FDAA O=C(NCc1noc(-c2c(F)cccc2F)n1)[C@H]1CCc2ncnn2C1 1857731739 YZMQIMFGAPJNAK-VIFPVBQESA-N 360.324 1.485 0 50 FDAA CN(CCO)C[C@@H](O)C1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1 1857734088 DIJXSANWXOEHMA-GOSISDBHSA-N 374.485 1.019 0 50 FDAA CNC[C@H]1CCCN1S(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1 237284020 VLFQJEVPRUXGFJ-CYBMUJFWSA-N 352.435 1.692 0 50 FDAA CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)Cc1ccccc1F)C2 247981229 XKRQPJCENWLSAL-HIFRSBDPSA-N 369.462 1.097 0 50 FDAA CCCn1cc(-c2nc3cc(S(N)(=O)=O)ccc3n2CCOC)cn1 155182103 INZBXYATGHWQOX-UHFFFAOYSA-N 363.443 1.604 0 50 FDAA Cc1csc2ncc(C(=O)N3CCC(OC(=O)N(C)C)CC3)c(=O)n12 818712498 SADDUSVDDIJLCZ-UHFFFAOYSA-N 364.427 1.367 0 50 FDAA O=C(N[C@H]1CCN(c2ccccc2F)C1)N1CCC[C@H](c2nc(O)n[nH]2)C1 827926842 CDTIULRAXQSQQU-STQMWFEESA-N 374.420 1.817 0 50 FDAA COCC1(CNC(=O)C(=O)N=c2cc(C3CCCC3)n(C)[nH]2)CCCC1 2325795918 FGODVFWKHUIEFO-UHFFFAOYSA-N 362.474 1.761 0 50 FDAA CO[C@]1(C(F)(F)F)C[C@@](N)(C(=O)N2CC(=O)N(C)c3ccccc3C2)C1 2325813506 ONIZPRWSSWRWCI-IYBDPMFKSA-N 371.359 1.430 0 50 FDAA O=C(N=c1cc(-c2c(F)cccc2F)[nH][nH]1)c1[nH]nnc1[C@H]1CCCN1 2325856394 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GTVFKEJQAVLFGW-ZFWWWQNUSA-N 369.487 1.391 0 50 FDAA COc1ccc(C)cc1NC(=O)CNC[C@]1(O)CCCN2CCCC[C@@H]21 63884780 ZXXNLKBYYYDROL-UYAOXDASSA-N 361.486 1.911 0 50 FDAA CN1CCC2(CC1)CN(C(=O)c1scc3c1OCCO3)CCCN2C 67714492 LGUIWCRGBOQWMO-UHFFFAOYSA-N 365.499 1.761 0 50 FDAA O=C(Cc1ccccc1)NCCC[C@@H](NC(=O)Cc1ccccc1)C(=O)O 22342368 JGJMHIALPNDBOZ-GOSISDBHSA-N 368.433 1.938 0 50 FDAA O=C(O)CNC(=O)CNC(=O)c1ccc2c(ccn2Cc2ccccc2)c1 170625757 HHKZOQHCYHGRDZ-UHFFFAOYSA-N 365.389 1.620 0 50 FDAA biogenic Cc1cc(C)cc(NC(=O)C(=O)N2CCC3(CC2)CN(C)CCN3C)c1 67714406 VWJSZFXTVCFQKP-UHFFFAOYSA-N 358.486 1.480 0 50 FDAA Cc1c([C@@H]2[C@H](C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)CC(=O)N2C)cnn1C 332918692 JAJSXFDJGDRJFA-VLMXHWEHSA-N 360.458 1.178 0 50 FDAA O=C(O)[C@H]1CN(C(=O)/C=C/c2ccc(OCc3ccccn3)cc2)CCO1 328596335 HTRAFUVJRPPQHU-AHKGRUIUSA-N 368.389 1.986 0 50 FDAA CCN1CCN(S(=O)(=O)c2ccc(OC)c(F)c2)C[C@@H]1c1ncc[nH]1 328637933 WCWVODHPKLFBGR-CQSZACIVSA-N 368.434 1.625 0 50 FDAA O=C(c1ccc2[nH]ccc2c1)N1CCN(CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 72418006 YPQCWGMGLJTWGR-MSOLQXFVSA-N 373.478 1.501 0 50 FDAA CCNC(=O)[C@H]1CCN(c2nc(-c3cccnc3)nc3c2CCNC3)C1 71589499 GWDANISRAMPYGX-AWEZNQCLSA-N 352.442 1.147 0 50 FDAA Cn1cc(N2CC[C@H](NC(=O)c3ccccc3Cn3cncn3)C2)cn1 361432049 YZPWNUZJYNGNRO-HNNXBMFYSA-N 351.414 1.069 0 50 FDAA COC(=O)[C@H]1CN(C(=O)NCc2ccnc(N3CCCCC3)c2)CCO1 331557908 MZMSNKDECJCWRD-OAHLLOKOSA-N 362.430 1.155 0 50 FDAA CC(=O)N1CCC[C@](O)(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)C1 284712923 HCGUUBQSCOQWKS-LJQANCHMSA-N 356.426 1.204 0 50 FDAA CC[C@@H](C)NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O 363093351 XHCPNFYYMGHWOR-HIFRSBDPSA-N 361.442 1.418 0 50 FDAA COc1ccc(C(=O)N2CCC[C@]3(CCC(=O)N(CCO)C3)C2)c(C)c1 77323415 ZRLZBFGATYFQLC-HXUWFJFHSA-N 360.454 1.841 0 50 FDAA Cc1cc(NC2CCN(CC(=O)NC3CC3)CC2)n2nc(C)c(C)c2n1 72479179 IGMXYCHCKDRWNY-UHFFFAOYSA-N 356.474 1.809 0 50 FDAA O=C(Nc1cnc2c(c1)CNCC2)[C@H]1CC(=O)N(c2ccccc2F)C1 367365077 KSLUHZUWGMKIQN-ZDUSSCGKSA-N 354.385 1.858 0 50 FDAA CCN(C)CC(=O)N1CCC[C@@H](c2cc(N3CCOCC3)nc(C)n2)C1 72478263 ZPGIEQGLUYBDQN-MRXNPFEDSA-N 361.490 1.279 0 50 FDAA CN(CCCN1CC2(CCN(CC(N)=O)CC2)OC1=O)C1CCCCC1 77523408 SWYKRRFAQPWJGX-UHFFFAOYSA-N 366.506 1.413 0 50 FDAA COCCC(=O)Nc1ccc2c(c1)CN(S(=O)(=O)N1CCCC1)CC2 14975733 ASGMHMYVBATEEQ-UHFFFAOYSA-N 367.471 1.360 0 50 FDAA COc1ccc(CNC(=O)N2CCOC[C@@H]2CC(=O)N2CCCC2)cc1 72431794 TUXJLSHZUAIRMU-INIZCTEOSA-N 361.442 1.618 0 50 FDAA O=C(CCc1cc(O)no1)N[C@@H]1COCC[C@@H]1OCc1cscn1 219975566 UQLKRGAVRQHLGT-OLZOCXBDSA-N 353.400 1.260 0 50 FDAA CCCc1cc(CN(C)C(=O)C[C@H]2C(=O)NCCN2CC=C(C)C)n[nH]1 72128118 MSAGWMYTZIBLGE-KRWDZBQOSA-N 361.490 1.477 0 50 FDAA Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)Cn2cc3ccccc3n2)C1 77455540 CSELBFDDPVRRTD-HNNXBMFYSA-N 351.410 1.891 0 50 FDAA Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(NCCc2ccco2)CC1 158556730 RMTVWCBYVCAYGT-UHFFFAOYSA-N 352.460 1.605 0 50 FDAA COc1c(C(=O)N2CCO[C@H](C(=O)O)C2)sc(C)c1Br 263041662 VTGMIIUTMVVAKD-ZETCQYMHSA-N 364.217 1.753 0 50 FDAA O=C(COc1ccccc1)N1CCn2nc(CN3CCSCC3)cc2C1 72418784 LHEUSYARMVEZAQ-UHFFFAOYSA-N 372.494 1.853 0 50 FDAA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1cc(C)c3nc(N)sc3c1)C2 71759399 ANNAHLRPXYRMIM-UHFFFAOYSA-N 355.423 1.777 0 50 FDAA O=C(NCc1ccncc1OC[C@@H]1CCOC1)c1cnn2cccnc12 288370009 NBXCWGBYKHJMBO-CYBMUJFWSA-N 353.382 1.470 0 50 FDAA Nc1nc(Sc2ccc(F)cc2)cc(N2CC[C@@]3(CC(=O)NC3=O)C2)n1 82138834 MPUTUADBHNAPDX-QGZVFWFLSA-N 373.413 1.592 0 50 FDAA CC(C)c1nc(CNC(=O)N(C)Cc2nc(-c3ccccn3)no2)no1 426489926 PLGCTHBXYNLTLT-UHFFFAOYSA-N 357.374 1.980 0 50 FDAA Cc1nc(C)c(CC(=O)N2CCC[C@H](c3ccn(CC(=O)O)n3)C2)c(O)n1 426584816 PNMRQOYIPBLONR-ZDUSSCGKSA-N 373.413 1.029 0 50 FDAA CC(C)Cc1nc(CN(C)C(=O)NCCCc2csc(N)n2)no1 426393107 YZTYIRPNMGZWNK-UHFFFAOYSA-N 352.464 2.081 0 50 FDAA COc1ccc(-c2ccc(=O)n(CC(=O)NCc3cccnc3)n2)c(F)c1 44893315 GXGCAIHHASAHSA-UHFFFAOYSA-N 368.368 1.769 0 50 FDAA COCC[C@@H]1CN(C(=O)c2ccc(-c3ccc(C(N)=O)cn3)cc2)CCO1 426429692 BJVQBJLWNLUXET-QGZVFWFLSA-N 369.421 1.725 0 50 FDAA Cc1cc(C)n(CCNC(=O)Nc2cc3c(cc2C)OCCO3)c(=O)n1 426360192 NYOGINFYQDUJOM-UHFFFAOYSA-N 358.398 1.761 0 50 FDAA CN1CCOC[C@@H](CNC(=O)CCCc2nc(-c3cccnc3)no2)C1 426399339 CZTTXHBPSWBFQU-AWEZNQCLSA-N 359.430 1.149 0 50 FDAA CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1ccc(F)cc1F)C2 92045808 ZSDQBJNZSBPEBE-SMDDNHRTSA-N 358.410 1.390 0 50 FDAA CC(C)Oc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCOCC3)C2)cc1 91409955 DZWAAQQDRQJBMD-QZTJIDSGSA-N 362.470 1.487 0 50 FDAA Cc1c(C(=O)N2C[C@H](CO)[C@H](CN(C)CCO)C2)[nH]c2c(F)cccc12 91474769 MPZYCPNVXINGQO-ZIAGYGMSSA-N 363.433 1.220 0 50 FDAA O=C(c1cccc(S(=O)(=O)N2CC[C@@H](O)C2)c1)N1CCCCCCC1 95377798 NESBIGSHLPNXBP-MRXNPFEDSA-N 366.483 1.848 0 50 FDAA Cn1cccc1C(=O)N1CCC[C@H](c2nnc(Cn3ccnc3)n2C)C1 95380286 PQRDXBQTNGGCJU-AWEZNQCLSA-N 353.430 1.418 0 50 FDAA COc1ccccc1CC(=O)N1C[C@H]2CC[C@@H]1CN(S(C)(=O)=O)C2 91586243 UDFKOZGHOUKYLP-DZGCQCFKSA-N 352.456 1.120 0 50 FDAA O=C(NCCCn1cnnc1)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 96165097 CEOGDAPNAZOFQC-MRXNPFEDSA-N 372.429 1.399 0 50 FDAA C[C@@H](NC(=O)c1cnc(C2CC2)[nH]c1=O)c1nc(-c2cccnc2)no1 91535579 UUIJQWITFQHDOB-SECBINFHSA-N 352.354 1.583 0 50 FDAA O=C(c1ccccc1-c1nnn[nH]1)N1C[C@H](CO)[C@H](CN2CCCCC2)C1 91604995 SHASBGYGUXOQGC-HUUCEWRRSA-N 370.457 1.033 0 50 FDAA Cc1nnnn1Cc1ccc(C(=O)N[C@H]2COC[C@@H]2N2CCCCC2)cc1 244858517 VMPXANTWSZWWTD-ROUUACIJSA-N 370.457 1.013 0 50 FDAA COc1cncc([C@@H](NC(=O)Cc2ccc3c(c2)OCO3)[C@H]2C[C@H](O)C2)c1 243893368 AQMJHMRUCNIQKV-KPHUOKFYSA-N 370.405 1.990 0 50 FDAA Cc1ccccc1OC[C@@H](O)C(=O)NC1CCN(c2ncccn2)CC1 244659683 HHEWXNQFQKZUIH-MRXNPFEDSA-N 356.426 1.310 0 50 FDAA COCc1nc(O)cc([C@H]2C[C@H](NC(=O)CCc3c(C)nn(C)c3C)C2)n1 253535537 ALSSDWIXUVAKEE-HDJSIYSDSA-N 373.457 1.674 0 50 FDAA CC[C@H](C)[C@H](CO)NC(=O)Cn1ccc2c(NS(C)(=O)=O)cccc21 252500463 SWBABRVMDZXPGN-WFASDCNBSA-N 367.471 1.536 0 50 FDAA CN(Cc1ccccc1CN1CCCC1)C(=O)CN(C)C1CCNCC1 534642848 PEFDOTUJTNULBD-UHFFFAOYSA-N 358.530 1.925 0 50 FDAA CN1C[C@@]2(CCCN(C(=O)c3ccc4c(c3)N(C)C(=O)CO4)C2)OC1=O 299775984 MWPXYJMQYFEGEI-GOSISDBHSA-N 359.382 1.099 0 50 FDAA Cc1ccc(CN2CCC(CNC(=O)c3cn(C)c(O)nc3=O)CC2)o1 299779541 ABSHUAHADVLXMV-UHFFFAOYSA-N 360.414 1.029 0 50 FDAA CC(C)Oc1ccccc1CCNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 299762505 MKYKHKWNNZSKMP-INIZCTEOSA-N 368.499 1.251 0 50 FDAA O=C(Cc1cc(=O)[nH][nH]c1=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 299795860 NIILNAOMDVDNLR-CQSZACIVSA-N 355.394 1.559 0 50 FDAA O=C(COC[C@H]1CCCO1)NCc1noc(-c2ccc3c(c2)OCO3)n1 299761557 KJHTWDACJFFVOI-GFCCVEGCSA-N 361.354 1.277 0 50 FDAA CC(C)C1=NO[C@@H](C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)C1 827791879 ATHBHSQTQYFSFC-ZYKQFOSWSA-N 358.446 1.638 0 50 FDAA NC(=O)N1CCC[C@H]1C(=O)NCC1(N2CCOCC2)CCCCCC1 828109290 PYXTVBAXXPURIK-HNNXBMFYSA-N 352.479 1.071 0 50 FDAA C[C@H](NC(=O)N(CCO)Cc1nccn1C)c1ccc2c(c1)OCCCO2 584897876 IHBWMTDCAPQCKQ-AWEZNQCLSA-N 374.441 1.847 0 50 FDAA CC(C)c1nc(CCNC(=O)N2CCC(O)(c3cccnc3)CC2)no1 584886823 ZJLGSDQCUISMFJ-UHFFFAOYSA-N 359.430 1.824 0 50 FDAA CN(C)c1nc(O)cc([C@@H]2CCN(C(=O)c3cn(C)nc3C3CC3)C2)n1 864835880 PKWBQBJVBSTTIE-GFCCVEGCSA-N 356.430 1.489 0 50 FDAA CN(C)c1cc(C(=O)N2CC[C@H](c3cc(O)nc(N(C)C)n3)C2)ccn1 864840525 VLCWQZBXRVYASE-ZDUSSCGKSA-N 356.430 1.339 0 50 FDAA C=CC(=O)NCc1ccc(C(=O)N2CC[C@]3(CCS(=O)(=O)C3)C2)cc1 1875367725 IMGYBMUUDIFKES-SFHVURJKSA-N 362.451 1.140 0 50 FDAA CS(=O)(=O)N1CCCC[C@@H]1CNc1cnc([C@H](O)C(F)(F)F)cn1 1875327344 WCLVRBPZIFASDO-SKDRFNHKSA-N 368.381 1.298 0 50 FDAA Cc1cc(C)n(CCCN2C(=O)N[C@@H](Cc3cn(C(C)C)nn3)C2=O)n1 1875360771 IYRXLBVXLXPLGU-HNNXBMFYSA-N 359.434 1.226 0 50 FDAA COC(=O)C1(C(=O)N[C@H]2CCN(C(=O)c3conc3C3CCC3)C2)CC1 1875332754 ISUUCQXNSZXOAD-LBPRGKRZSA-N 361.398 1.226 0 50 FDAA O=C(c1cc(C(F)(F)F)nn1C1CC1)N1CCC[C@@H](Cc2nn[nH]n2)C1 1875318400 IVCSQVXDVYCBBZ-VIFPVBQESA-N 369.351 1.845 0 50 FDAA COCC1(CNC(=O)/C=C/CN(C)C)CCN(C(=O)OC(C)(C)C)CC1 1875375928 VNTVZPPIMSBFHZ-BQYQJAHWSA-N 369.506 1.884 0 50 FDAA Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C[C@H]3CNC(C)(C)CO3)C2)nc1 1875304389 JFLXHBVCHURWKO-CVEARBPZSA-N 374.485 1.724 0 50 FDAA Cc1nc(C(=O)NCc2cccn2C)nc(N2CC[C@@H](N(C)C)C2)c1C 1875403734 ZQINJSIAJYSDBP-MRXNPFEDSA-N 356.474 1.502 0 50 FDAA CC1(C)CN(c2cc(O)ncn2)C[C@H]1NC(=O)C1CC(n2ccnc2)C1 1875408395 VHFFCWSJUZYEID-JXQTWKCFSA-N 356.430 1.361 0 50 FDAA Cc1cc(Oc2ccccc2)nc(N2CCC[C@@]3(C2)NC(=O)NC3=O)n1 1875273483 AQFHWVYZOICIGA-SFHVURJKSA-N 353.382 1.756 0 50 FDAA O=C(N[C@H]1CCOC[C@@H]1OCc1cscn1)c1cn2cccnc2n1 1565531089 MQKDRGXYRYJVQV-JSGCOSHPSA-N 359.411 1.290 0 50 FDAA O=C(NC1CCCC1)N1C[C@@H]2CN(Cc3ccncc3)C[C@]2(C(=O)O)C1 1565526818 IIOUKJIRTZNPRH-KXBFYZLASA-N 358.442 1.552 0 50 FDAA O=C(NC1CCN(C(=O)C2(O)Cc3ccccc3C2)CC1)c1ccsc1 1319027786 UOQDRUFZTPGDND-UHFFFAOYSA-N 370.474 1.999 0 50 FDAA CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cnc(Nc3ccccc3)nc1)C2 75971928 PHUJVMAIXUBCPP-CJNGLKHVSA-N 351.410 1.913 0 50 FDAA Cc1csc([C@@H]2CN([C@@H]3CCCN(c4ccn(C)n4)C3=O)CCO2)n1 170006435 CFZYBTARKBWRRG-KGLIPLIRSA-N 361.471 1.754 0 50 FDAA COCCO[C@H]1C[C@@H](CO)CN(S(=O)(=O)c2cc(C)sc2C)C1 278897129 QMIAQSLDDXLEEM-KGLIPLIRSA-N 363.501 1.399 0 50 FDAA CS(=O)(=O)c1cccnc1N1CCN(C(=O)c2ccccc2O)CC1 170601987 UTRGRJLBYPCCFW-UHFFFAOYSA-N 361.423 1.153 0 50 FDAA COCCc1noc(CNS(=O)(=O)c2cc(C)c(F)cc2Cl)n1 1506405560 JURRJZHZKCPXKC-UHFFFAOYSA-N 363.798 1.838 0 50 FDAA Cc1noc(C)c1-c1nc2c(s1)CC[C@H](C(=O)N(CCO)CCO)C2 1772806529 GABHHODSWKAWNA-LBPRGKRZSA-N 365.455 1.333 0 50 FDAA COc1ccccc1CN1C[C@@H](C(=O)NCCn2ccc(C)n2)CCC1=O 11815130 KDZMKPHHZBJELH-KRWDZBQOSA-N 370.453 1.755 0 50 FDAA O=C1C[C@H](NS(=O)(=O)N2CCCC2)CN1CCCc1ccccc1 11816531 RDBGYBAPEZGNCB-INIZCTEOSA-N 351.472 1.150 0 50 FDAA CC(=O)c1ccc(OCC(=O)N[C@@H]2CCCN(C3CCN(C)CC3)C2)cc1 12442759 BWWGCRBPLSOXSS-GOSISDBHSA-N 373.497 1.943 0 50 FDAA CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3sccc3Cl)CN2C1=O 14532666 BZULGSFFBNWZRP-DLOVCJGASA-N 369.874 1.645 0 50 FDAA CC(C)C[C@@H]1NC(=O)[C@H]2CN(C(=O)OCc3ccccc3)CCN2C1=O 14533699 YLAFLIZADWGAQA-JKSUJKDBSA-N 359.426 1.381 0 50 FDAA COc1cc(C)nc(CCNC(=O)c2nn(C)c3c2C[C@@H](C)O[C@H]3C)n1 1857529384 GDDCFKWTTHUMOC-NEPJUHHUSA-N 359.430 1.522 0 50 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1.912 0 50 FDAA CN1CCN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 19313516 GLAGTDSBIHVAMV-ZDUSSCGKSA-N 352.232 1.328 0 50 FDAA O=C(N[C@@H]1CCO[C@@H](c2cccnc2)C1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 844032887 MWAQXFXMCOIZDD-SQWLQELKSA-N 355.398 1.194 0 50 FDAA CCCCCc1cccc(CC(=O)N2CCS(=O)(=O)C[C@H]2CCO)c1 2325766551 ISVZZCYQJWEZCX-GOSISDBHSA-N 367.511 1.970 0 50 FDAA CC(C)[C@H]1N(C(=O)[C@H]2CCc3nnc(O)n3C2)CC12CCSCC2 2325766693 VGXLHSVZURBHPN-GXTWGEPZSA-N 350.488 1.926 0 50 FDAA Cn1cc2c(n1)CCN[C@@H]2C(=O)NCc1ccc(N=c2cc[nH]cc2)cc1 2325795958 HZILNLDYXDASOL-IBGZPJMESA-N 362.437 1.484 0 50 FDAA COC(=O)[C@H](NC(=O)Cc1ccc(-n2cnnc2)cc1)C1=CC[C@H]2C[C@H]2C1 2325796955 KCZSOMVRNZCGIB-URLQWDBASA-N 366.421 1.824 0 50 FDAA C[C@H](NC(=O)[C@@H](N)C1(O)CCC1)[C@@H](O)c1ccc(Br)cc1 2325801287 APPILTKHUVNYQL-ZWKOPEQDSA-N 357.248 1.230 0 50 FDAA Cc1cc(F)ccc1C[C@H](CNC(=O)C[C@@H]1CCCNC(=O)C1)C(=O)O 2325812904 QPUGDTMBDGTTPA-UKRRQHHQSA-N 364.417 1.800 0 50 FDAA C[C@@H](CO)C(=O)N1CC[C@@](C)(CNC(=O)c2ccc3cccnc3c2)C1 2325871354 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1.417 0 50 FDAA CN(CC(=O)N1CCN(Cc2ccccc2CO)CC1)Cc1ccncc1 219700510 IAWISJAYMLLMST-UHFFFAOYSA-N 368.481 1.350 0 50 FDAA O=C(N[C@H]1CC(=O)N(C2Cc3ccccc3C2)C1)c1n[nH]c2c1CCCC2 72165559 SVJXQIRLWRQACU-HNNXBMFYSA-N 364.449 1.787 0 50 FDAA CNC(=O)[C@H]1CN(C/C=C/c2ccccc2OC)C[C@@H]1c1cnn(C)c1 284608394 NWBKHBBXYBZIGH-VZUWTINFSA-N 354.454 1.904 0 50 FDAA O=C1CCN(Cc2c(C(=O)N3CCCCC3)nc3sccn23)CCN1 71764313 DRNAIFHYAIVFAN-UHFFFAOYSA-N 361.471 1.344 0 50 FDAA Cc1nccnc1N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 71745244 WHMSVUKXIITAAM-QGZVFWFLSA-N 373.501 1.325 0 50 FDAA CN(C)C(=O)COC[C@@H]1CN(c2ccnc3ccncc23)CC(C)(C)O1 284995570 LQAIICVQDSIXLZ-AWEZNQCLSA-N 358.442 1.718 0 50 FDAA O=C(CN1CC[C@@](CO)(Cc2ccc(F)cc2)C1)NC1CCOCC1 377597740 LEYGHHULNMRPAH-LJQANCHMSA-N 350.434 1.348 0 50 FDAA CCCCOC(=O)N1CCC(c2nnc(CN3CCOCC3)n2C)CC1 77504919 VXMKZJVDHONYQY-UHFFFAOYSA-N 365.478 1.763 0 50 FDAA Cc1nc2c(c(N3CCCn4nc([C@@H](O)CN(C)C)cc4C3)n1)CCC2 219506643 NASTWCQICAXSAV-SFHVURJKSA-N 356.474 1.476 0 50 FDAA Cc1ncsc1C(=O)N1CCN(CC(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 77486869 PXQMHXWPNZRPNX-OLZOCXBDSA-N 357.501 1.031 0 50 FDAA COc1ccccc1-c1ccc(N2CCC(NS(C)(=O)=O)CC2)nn1 71748886 SGCTZZZWUDNDJS-UHFFFAOYSA-N 362.455 1.670 0 50 FDAA Cn1ncc2c(NC[C@@H]3CCS(=O)(=O)C3)nc(-c3cccnc3)nc21 72163051 FJWBUIJYXYNSMU-NSHDSACASA-N 358.427 1.272 0 50 FDAA Cc1ccc(C(=O)N2CCn3nc(CN4CCC[C@H](O)C4)cc3C2)cc1O 72432286 ANKACNLWYPITII-SFHVURJKSA-N 370.453 1.510 0 50 FDAA CCCCN1C[C@@]2(CCCN(S(=O)(=O)c3cnn(C)c3)C2)CCC1=O 77505347 PEARMEZNPSJICC-QGZVFWFLSA-N 368.503 1.614 0 50 FDAA C[C@H]1CN(C)c2ccccc2CN1C(=O)Cn1nc2ccccn2c1=O 175208859 SYTGNSNLFBGSQQ-AWEZNQCLSA-N 351.410 1.363 0 50 FDAA O=C(Cc1ccc(-c2ccccc2)cc1)N1C[C@H](O)[C@@H](N2CCOCC2)C1 223110248 GMNHWUHOVQIPGQ-SFTDATJTSA-N 366.461 1.800 0 50 FDAA C[C@H](CNC(=O)N1CCNC(=O)C1)Oc1ccccc1Br 175979251 KRYXWKCGBMEQEC-SNVBAGLBSA-N 356.220 1.358 0 50 FDAA Cc1cc(=O)[nH]c(S[C@H](C)C(=O)NCCCn2cc(Cl)cn2)n1 223256544 LJBHPFUHEBVSAE-SNVBAGLBSA-N 355.851 1.615 0 50 FDAA CN1CCCNC(=O)C12CCN(C(=O)c1cnc3ccccc3c1)CC2 426575021 NSDDIUOSGDFZCM-UHFFFAOYSA-N 352.438 1.661 0 50 FDAA CSCC[C@H](NC(C)=O)C(=O)N1CCCN(c2ccnc(C)c2)CC1 222615891 YIVDHLGEFHJYMC-KRWDZBQOSA-N 364.515 1.687 0 50 FDAA CCc1ccc(C(=O)N2CCCN(S(=O)(=O)N3CCCCC3)CC2)[nH]1 220126483 BAWDNJHJWZBTGB-UHFFFAOYSA-N 368.503 1.456 0 50 FDAA O=C1CC2(CCN(C(=O)N[C@@H]3CC(=O)N(c4ccccc4F)C3)CC2)CN1 291412221 WCYPSWIPMLZYHH-CYBMUJFWSA-N 374.416 1.243 0 50 FDAA COc1cc(C(=O)N2CCN(C3CCCC3)C(=O)C2)ccc1OCCN 426508174 ZQUINVRRTOEGIA-UHFFFAOYSA-N 361.442 1.260 0 50 FDAA Cc1nc2ccccn2c1CC(=O)NC1CCN(c2cnccn2)CC1 426514938 ZMGWPDWZLHKIKI-UHFFFAOYSA-N 350.426 1.760 0 50 FDAA Cc1ccc(CN2CCN(C(=O)NCCN3CCOCC3)[C@H](C)C2=O)cc1 426544712 IDECVAUNNRDNRI-QGZVFWFLSA-N 374.485 1.070 0 50 FDAA Cc1n[nH]c(C)c1CCCNC(=O)c1ccc(N2CC(=O)NC2=O)cc1 91535312 LJHNMQYVSONVLS-UHFFFAOYSA-N 355.398 1.445 0 50 FDAA COc1ccc(C(=O)N2CCC[C@@H](c3ccn(CC(=O)O)n3)C2)cc1O 426668313 LBZSBTATTXMBMT-CYBMUJFWSA-N 359.382 1.702 0 50 FDAA COc1ccc(F)c(CNC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)c1F 95375615 GPVVCHMJISJQKJ-LLVKDONJSA-N 355.385 1.983 0 50 FDAA O=C(O)Cn1nccc1[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCCC3)C1 426491122 XASHPTDDVPQGFX-GFCCVEGCSA-N 357.414 1.589 0 50 FDAA N=C1NC(=O)C2(CCN(C(=O)NCC3(c4ccccc4)CCCC3)CC2)N1 426536205 ACRRRWGWQHODIF-UHFFFAOYSA-N 369.469 1.697 0 50 FDAA CCN1CCC(CC(=O)N2CCN(Cc3ccc(OC)cc3)C(=O)C2)CC1 95373860 VDOKXQQHVBXCNJ-UHFFFAOYSA-N 373.497 1.988 0 50 FDAA CCN(C(=O)CCc1nc(-c2cccnc2)no1)[C@H]1CCS(=O)(=O)C1 91410400 PUZXHCGPZKFROI-ZDUSSCGKSA-N 364.427 1.100 0 50 FDAA COc1ccc2c(c1)[C@H](C(=O)NCCSc1nccn1C)CC(=O)N2 91547265 VHPLPICHJFOKRW-CYBMUJFWSA-N 360.439 1.763 0 50 FDAA COCCC[C@@]1(CO)CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 91645805 WWMAAIYZUDQOMV-KRWDZBQOSA-N 357.472 1.885 0 50 FDAA CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CN1C(=O)CSc3ccccc31)C2 95511935 IRELDENPVMRGMJ-OLZOCXBDSA-N 359.451 1.205 0 50 FDAA Cn1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)n1 181523542 WHDRZGTWCPBCHX-UHFFFAOYSA-N 363.443 1.171 0 50 FDAA CNc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)ccn1 91476142 OXCWBEYTSXXSBD-GOEBONIOSA-N 365.437 1.895 0 50 FDAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1cccnc1)C2 91997915 DTOCIBRMZXDULA-JKSUJKDBSA-N 351.410 1.177 0 50 FDAA Cc1cc2[nH]c(CN3CCNC(=O)[C@H]3c3cccc(F)c3)cc(=O)n2n1 240228112 KGFMJTBCXKDWDQ-QGZVFWFLSA-N 355.373 1.143 0 50 FDAA Cc1nc(CN2CCN(Cc3nnc([C@H]4C[C@@H](N)C4)n3C)CC2)cs1 244840320 UKYNCUNMWMPFSZ-OKILXGFUSA-N 361.519 1.103 0 50 FDAA Cc1ccc(N2CC[C@H](C(=O)N(CCN(C)C)CC(=O)O)C2=O)cc1C 299747468 DCJXSLLUNPALPI-MRXNPFEDSA-N 361.442 1.131 0 50 FDAA Cc1cc(C(=O)O)ccc1S(=O)(=O)N[C@@H](C)Cc1c(C)nn(C)c1C 185072286 GPPDCFBOYLTQQQ-NSHDSACASA-N 365.455 1.953 0 50 FDAA Cc1ccc2nc(C(=O)N[C@@H]3CCN(Cc4cscn4)C[C@H]3O)cn2c1 299784913 JYRFGHDQWPZOAW-GDBMZVCRSA-N 371.466 1.464 0 50 FDAA CSc1ncccc1C(=O)NC1CCN(c2cc(O)nc(N)n2)CC1 299768101 ITZMFDQXRGUNBT-UHFFFAOYSA-N 360.443 1.280 0 50 FDAA O=C(CCCn1nnc2ccccc2c1=O)N[C@@H](CO)c1ccccc1 299754378 FIZXUZAZNZXYJG-KRWDZBQOSA-N 352.394 1.422 0 50 FDAA Cc1cccc(N(CC(=O)NCCn2cnc(C)c2C)S(C)(=O)=O)c1 827825800 XZRLAMJLUUNDLB-UHFFFAOYSA-N 364.471 1.391 0 50 FDAA O=C1N[C@H]2CCC[C@@H]1CN(C(=O)NCc1csc(-c3ncccn3)n1)C2 584903285 GWQZPVQMWAEKJY-NEPJUHHUSA-N 372.454 1.410 0 50 FDAA Cc1[nH]ccc1C(=O)N1CC(N2C[C@@H](c3nc(C4CC4)no3)CC2=O)C1 864687321 LEIHDNRTKYCKTO-LBPRGKRZSA-N 355.398 1.424 0 50 FDAA Cn1cc(CC(=O)N[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cn1 270944513 KOQRJEJLAKOICO-NSHDSACASA-N 350.781 1.677 0 50 FDAA CCCN1C[C@H](NS(=O)(=O)c2ccc(-c3cc(C)no3)o2)CC1=O 670453412 HYWIWNRWSUDLFX-LLVKDONJSA-N 353.400 1.532 0 50 FDAA Cc1cc(S(=O)(=O)NCCCN2CCC[C@H](O)C2)c(Cl)cc1F 670446641 BCEWMDOVEXEOPF-LBPRGKRZSA-N 364.870 1.913 0 50 FDAA C[C@H](c1nc(C2(S(C)(=O)=O)CC2)no1)n1ccc(C(F)(F)F)n1 1875269508 KTBYDLPBHKSLCC-SSDOTTSWSA-N 350.322 1.928 0 50 FDAA CC1(C)CO[C@@H](CC(=O)O)CN1C(=O)Cc1cc2ccccc2nc1O 1875306042 QROXWUPZMKIHMP-AWEZNQCLSA-N 358.394 1.964 0 50 FDAA C=CC(=O)N1CCC(C(=O)N2CCN(c3ccc(N(C)C)cc3)CC2)CC1 1875386899 DBALIFAPDIQNSG-UHFFFAOYSA-N 370.497 1.826 0 50 FDAA Cn1cc(-c2n[nH]cc2CNc2cnn(CC(=O)NC3CCCC3)c2)cn1 1875353461 TYPSISODKBHMEX-UHFFFAOYSA-N 368.445 1.678 0 50 FDAA O=C(c1cccnn1)N1C[C@H](Nc2cc(F)ncn2)C2(CCOCC2)C1 1875405390 FPPGMOUCYVLKCL-ZDUSSCGKSA-N 358.377 1.139 0 50 FDAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1ncc(OCC2CC2)cc1F 1875401253 VMFVKEYZXKYYMN-IAOVAPTHSA-N 374.416 1.776 0 50 FDAA Cc1ccc([C@H](C)C(=O)N2C[C@@H](NC(=O)c3cnn[nH]3)CC(C)(C)C2)o1 1875406812 MRNVPIPTXJPYSA-STQMWFEESA-N 359.430 1.867 0 50 FDAA Cc1noc(C[C@]2(O)CCCN(C(=O)Cn3cc4ccccc4n3)C2)n1 888078363 LVRXDRWSRYLOFD-GOSISDBHSA-N 355.398 1.324 0 50 FDAA Cc1cnc([C@@]2(NC(=O)c3cc(Br)nn3C)CCOC2)[nH]1 888103190 NQVLCTRSZWMQFS-CYBMUJFWSA-N 354.208 1.260 0 50 FDAA CNCCN1C(=O)CC[C@@H]2CN(c3nc(-c4ccccc4)no3)CC[C@@H]21 1565512133 BNQMAJVZHJDOBO-CVEARBPZSA-N 355.442 1.773 0 50 FDAA Cc1noc(C)c1CN1CC[C@H](NC(=O)c2cccc(F)c2F)[C@@H](O)C1 1565507413 NGYWWUMUCMVDHU-HOTGVXAUSA-N 365.380 1.935 0 50 FDAA CC(=O)N[C@H]1CN(C(=O)Cc2cn3ccsc3n2)C[C@@H]1c1ccc(C)o1 1565506905 PVPHKPNSJDIOEG-GJZGRUSLSA-N 372.450 1.970 0 50 FDAA O=C(Cc1cccc(O)c1)N[C@H]1CCOC[C@@H]1Oc1ccc(CO)cc1 1565530938 FCUJNOVXUYCCTD-OALUTQOASA-N 357.406 1.780 0 50 FDAA Cc1nc(C)c(CNC(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)s1 170644923 CVJULKAJXHLZOO-LBPRGKRZSA-N 362.459 1.488 0 50 FDAA CN(C)C(=O)Cn1cc(C(=O)Nc2cc3c(cc2Cl)CCC3=O)nn1 191803934 VONBJZCCQGIATP-UHFFFAOYSA-N 361.789 1.401 0 50 FDAA Cc1ccccc1Cn1cc(C(=O)NCCSc2nccn2C)nn1 11936142 DIXZWOFPBIEQKT-UHFFFAOYSA-N 356.455 1.890 0 50 FDAA COc1ccc(CCN2C[C@@H](NC(=O)c3c(C)noc3C)CC2=O)cc1 11947827 RZGOBQTZZIYPLG-HNNXBMFYSA-N 357.410 1.873 0 50 FDAA CC(C)C[C@H]1NC(=O)[C@H]2CN(C(=O)OCc3ccccc3)CCN2C1=O 14530493 YLAFLIZADWGAQA-HZPDHXFCSA-N 359.426 1.381 0 50 FDAA CN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1cnn(C)c1)CC2 14747391 HUVFDQACEWMHNG-UHFFFAOYSA-N 368.441 1.244 0 50 FDAA O=C(Cc1ccc2c(c1)COCC2)N[C@H]1C[C@@H](Cn2ccnc2)C[C@@H]1O 1857527197 CMGIWUWFJIVCCR-MNEFBYGVSA-N 355.438 1.454 0 50 FDAA Cc1nn(C)c2c1[C@H](NC(=O)Cc1ccc(S(C)(=O)=O)cc1)CCC2 1857678648 JCKMANSEEUXTGM-OAHLLOKOSA-N 361.467 1.868 0 50 FDAA O=C(c1cnn(Cc2ccccc2)c1)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1857713602 RWOSRSAEOVUUHB-VQIMIIECSA-N 363.421 1.397 0 50 FDAA Cc1cc(C(=O)N[C@H]2C[C@H]3CO[C@@H](C)CN3C2)ccc1N1CCOCC1 1857721437 ORFUATYCUYLFTA-SZMVWBNQSA-N 359.470 1.423 0 50 FDAA COc1ccc2oc(N3CCC[C@H](CC(=O)NCCNC(C)=O)C3)nc2c1 1857732764 FPXCXNBSSTZMLG-CQSZACIVSA-N 374.441 1.695 0 50 FDAA CCn1nc(C)cc1C(=O)N1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857737665 YBMCKCPMCZNZSW-DLVXIWMQSA-N 355.438 1.420 0 50 FDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(c3ccc(C(N)=O)cn3)C1)CC2 1704354534 FWSPTPHWPPFHCU-IBGZPJMESA-N 352.442 1.521 0 50 FDAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)C(C)(C)NC(=O)c1cccs1)C2 1704313389 PFGKQBVADYJUEN-STQMWFEESA-N 351.472 1.046 0 50 FDAA C[C@H]1CN([C@@H]2CCCN(C(=O)c3cnc(N)c(Cl)c3)C2)S(=O)(=O)C1 2325770137 IGJRMYBJWIXCMM-CMPLNLGQSA-N 372.878 1.203 0 50 FDAA CC1(C)CCc2nc(C(=O)NCCN3CCCS3(=O)=O)ccc2C1 2325807657 KQEJUIYCTFENKO-UHFFFAOYSA-N 351.472 1.362 0 50 FDAA COc1cccc(CN2CCNC(=O)[C@@H]2C)c1OCCCn1ccnc1 55211932 JEVXTNRGEACLPP-HNNXBMFYSA-N 358.442 1.681 0 50 FDAA COCCN(Cc1ccc(C)cc1)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 55242272 HMKFSQYHZFVPOT-QGZVFWFLSA-N 368.499 1.089 0 50 FDAA Cc1nc(-c2cccc(-c3cnn(CC(=O)Nc4cn(C)nn4)c3)c2)no1 23311367 TVJFHFLRYQRFPL-UHFFFAOYSA-N 364.369 1.676 0 50 FDAA CC1=C(C(=O)N2CCN(C)CC2)[C@H](c2ccccc2Cl)n2ncnc2N1 54274519 FZTJSORNBPDBEG-INIZCTEOSA-N 372.860 1.994 0 50 FDAA COCCN1CCN(C(=O)c2ccc3c(c2)nc(C(F)F)n3C)CC1 467289820 FIAGILVBVWKSOI-UHFFFAOYSA-N 352.385 1.915 0 50 FDAA CCCn1c(=O)c2c(nc3n(-c4ccccc4N)c(C)cn23)n(C)c1=O 10233431 IDVIDGBCNSQLIN-UHFFFAOYSA-N 352.398 1.439 0 50 FDAA CC(C)CNC(=O)c1cn(C2CCN(c3ncnc4[nH]ccc34)CC2)nn1 67855698 LTWBCOFPPSRJCB-UHFFFAOYSA-N 368.445 1.777 0 50 FDAA CC(C)[C@@H](O)C(C)(C)CNC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 127164515 MPLBSJNVOQIZJD-CQSZACIVSA-N 363.483 1.995 0 50 FDAA COc1cc(OC)c(CN2CCN(CCO)CC2)cc1Br 23114784 XTZGPAYZYOSBDK-UHFFFAOYSA-N 359.264 1.576 0 50 FDAA COC(=O)c1ccc(OC)c(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1 65363559 OQECLQGQDPRRTK-UHFFFAOYSA-N 370.427 1.092 0 50 FDAA O=C(Nc1cccc(C(F)(F)F)c1)N1CCC2(CC1)NCCNC2=O 67908960 GNDQHFWTKKROKC-UHFFFAOYSA-N 356.348 1.791 0 50 FDAA O=C1CCCN1CCn1nc([C@H]2CCCNC2)n(-c2ccccc2)c1=O 67974206 WOEWGQOTYLWVAO-HNNXBMFYSA-N 355.442 1.123 0 50 FDAA Cc1ccc(C(=O)N2CCC[C@@H](N(C)Cc3nccc(N)n3)CC2)n1C 328656526 ZJURNDVCTKCRAC-OAHLLOKOSA-N 356.474 1.832 0 50 FDAA COC(=O)N[C@H](C)C(=O)N1Cc2cnc(Cc3ccc(OC)cc3)nc2C1 67676180 LXAJYMVYGDRBGW-GFCCVEGCSA-N 370.409 1.663 0 50 FDAA CCN1CCN(c2ncc(-c3cc(=O)[nH]c(N4CCCC4)n3)c(C)n2)CC1 36235741 VARRSJQVXCCWTH-UHFFFAOYSA-N 369.473 1.277 0 50 FDAA NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Br)o2)cc1 3328580 BORZKGGYKVCTFD-UHFFFAOYSA-N 373.228 1.662 0 50 FDAA CCOC(=O)C1=NO[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 5247434 QAJWGFBTDXAJQH-GXSJLCMTSA-N 357.149 1.801 0 50 FDAA Cc1ccc([C@@H]2CN(C(=O)CCn3cncn3)C[C@H]2NC(=O)C2CC2)cc1 77286349 OTUFYJGDCCNOPV-ZWKOTPCHSA-N 367.453 1.497 0 50 FDAA CC[C@H]1CN(C(=O)NCc2cccc(NS(C)(=O)=O)c2)C[C@@H](C)O1 334022096 PRNQKOFCQCMHBN-DOMZBBRYSA-N 355.460 1.767 0 50 FDAA C[C@H]1CC[C@@H](C)N1CCN1CCN(C(=O)[C@@H](CN)c2ccccc2)CC1 237606975 PAYILMHUISOEBA-NSHGMRRFSA-N 358.530 1.746 0 50 FDAA COc1cccc(C2(C(=O)N[C@@H]3CCCN(c4ccn(C)n4)C3=O)CC2)c1 367638642 PMRAUDGDJUFJAC-MRXNPFEDSA-N 368.437 1.772 0 50 FDAA CN1CCO[C@@H](CN(Cc2cnc(-c3cnn(C)c3)nc2)CC2CC2)C1 369129048 ALGCESYHSXZPEM-GOSISDBHSA-N 356.474 1.420 0 50 FDAA O=C(CCN(Cc1ccsc1)[C@@H]1CC12CCNCC2)N1CCOCC1 261703125 IGCLTBUVXCGTCT-QGZVFWFLSA-N 363.527 1.941 0 50 FDAA COc1cccc(CN(Cc2cccnc2)C(=O)[C@@H]2CNCCO2)c1OC 72163565 CKZJYXFGQVZYQT-SFHVURJKSA-N 371.437 1.616 0 50 FDAA COCC1(NC(=O)C[C@@H]2C(=O)NCCN2CCc2ccccc2)CCCC1 72166285 VSPQQAMTJCFKJP-GOSISDBHSA-N 373.497 1.495 0 50 FDAA CNC(=O)c1ccc(N2CCC[C@H](Cc3nnc4ccccn34)C2)nn1 375140132 HMGWPAFKYNUTCD-CYBMUJFWSA-N 351.414 1.338 0 50 FDAA CNc1nc(C)cc(C(=O)Nc2cccc3c2CCN(CC(C)(C)O)C3)n1 376961093 NUUJNEAGYDHEDU-UHFFFAOYSA-N 369.469 2.208 0 50 FDAA C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCOC2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 241816018 SEXCLYBIDDAOBZ-SRIISGBFSA-N 370.449 1.991 0 50 FDAA Cc1cnc2c(Cl)c(C(=O)N3CCC[C@@](O)(CN(C)C)C3)nn2c1 72157952 LDLVRUYURAUOPJ-MRXNPFEDSA-N 351.838 1.220 0 50 FDAA COCc1ccc(OC)c(S(=O)(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1 286165017 YFFYCECIWPHTEP-TZMCWYRMSA-N 354.472 1.745 0 50 FDAA Cc1nc2c(c(N3CCCC3)n1)CCN(C(=O)N1CCN(C)CC1)CC2 72435312 NBWSAGOWVOQXTM-UHFFFAOYSA-N 358.490 1.153 0 50 FDAA O=C1NC(=O)[C@H](CCC(=O)N(Cc2c(F)cccc2Cl)C2CC2)N1 42663531 WZEKHWHQMQXSAI-ZDUSSCGKSA-N 353.781 1.958 0 50 FDAA O=C(c1ccc(OC(F)F)cc1)N1CCCn2nc([C@@H](O)CO)cc2C1 221383159 BGUZNDNHQBKSET-HNNXBMFYSA-N 367.352 1.556 0 50 FDAA Cc1ncc(CC(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2Cc2ccccc2)c(=O)[nH]1 220287810 DIFGFLPJLVQCPM-NBMJBFSESA-N 353.422 1.383 0 50 FDAA COc1nc2ccccc2nc1CCC(=O)NCCSc1ncn[nH]1 220196028 YKZKOGTYTPOANM-UHFFFAOYSA-N 358.427 1.598 0 50 FDAA CN([C@H]1CCCC[C@H]1O)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 225263082 LISGXPNXSVPKAK-JKSUJKDBSA-N 352.456 1.737 0 50 FDAA CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(n2cc(C(C)(C)N)nn2)CC1 48179227 FJNZEFPGDCNMTN-HNNXBMFYSA-N 364.494 1.186 0 50 FDAA Cc1noc([C@H]2CCCCN2C(=O)c2cnc3c(O)cccn3c2=O)n1 426549205 SJOMTZNJLONLGN-GFCCVEGCSA-N 355.354 1.459 0 50 FDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1)NCc1ccccn1 20775170 KKRULEHQABCLOY-QGZVFWFLSA-N 374.391 1.367 0 50 FDAA CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(OC)c(N2CCOCC2)c1 223702186 CLMVRUGSUGXLDE-CRAIPNDOSA-N 364.442 1.456 0 50 FDAA CN(C)Cc1nc(C(=O)N2CCCN(Cc3ccncc3)CC2)cs1 82099029 GYCRXBRJCOHICI-UHFFFAOYSA-N 359.499 1.948 0 50 FDAA Cn1c(CN2CCOCC2)nnc1[C@H]1CCCN(Cc2cccc(O)c2)C1 426599570 LFHOEHSBBQZVEU-KRWDZBQOSA-N 371.485 1.733 0 50 FDAA COC(=O)c1ccc(CNC(=O)Cn2nccc2[C@H]2CCCNC2)cc1 426430664 IPILYMQZCXAGBC-INIZCTEOSA-N 356.426 1.453 0 50 FDAA O=C(NC1CC1)c1ccsc1NC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1O2 225745103 KZTOSAGJSYOPQE-WISYIIOYSA-N 350.396 1.457 0 50 FDAA CN1CCCNC(=O)C12CCN(C(=O)CCCOCc1ccccc1)CC2 426674226 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299757614 HRGBDDDDJXHMGX-UHFFFAOYSA-N 374.485 1.891 0 50 FDAA COc1ccc2nc(CCNC(=O)c3nc(N)nc4c3CCCC4)[nH]c2c1 299794674 LLVAIHKRXMCRGI-UHFFFAOYSA-N 366.425 1.795 0 50 FDAA CCc1ocnc1C(=O)N1CCOC2(CCN(C(=O)c3ccoc3)CC2)C1 823571083 FPXVXMWCTMEYFS-UHFFFAOYSA-N 373.409 1.977 0 50 FDAA Cc1nc(CCNC(=O)Cn2c(=O)oc3ccccc32)nc2c1CCCC2 827861549 MRJRPRLIXKQIEV-UHFFFAOYSA-N 366.421 1.931 0 50 FDAA Nc1nnc(CCNC(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)s1 584885368 VCYKGFQFTLXMTO-ZDUSSCGKSA-N 362.459 1.449 0 50 FDAA O=C(N[C@@H]1C[C@H]2C[C@@H](CO)C[C@H]21)c1nc(N2CCCC2)ncc1Cl 1875274659 PYYQZECVIALWTL-HKUMRIAESA-N 350.850 1.867 0 50 FDAA Cn1c(CCNC(=O)c2cc3c(nn2)CCOC3)nc2c(F)cccc21 1875319307 WWJVYTLFDUXWCI-UHFFFAOYSA-N 355.373 1.548 0 50 FDAA O=S(=O)(NCc1ccncn1)c1c[nH]c2ncc(Br)cc12 1875333264 LKPZLHYIXBZOHT-UHFFFAOYSA-N 368.216 1.594 0 50 FDAA Cn1cnc2c(C(=O)N[C@@H]3C[C@H](Cn4cc(Cl)cn4)C[C@H]3O)ccnc21 1875403736 ZRPMUEFYYOUNSG-ZLKJLUDKSA-N 374.832 1.388 0 50 FDAA C[C@]1(NC(=O)c2cc[nH]n2)CCN(C(=O)[C@@H]2CC[C@]3(C2)CC3(F)F)C1 1875407181 UQMVGWPJROZUMG-RLCCDNCMSA-N 352.385 1.956 0 50 FDAA N[C@H]1CCN(c2ncnc(=NC[C@H](c3ccccc3)C3CCNCC3)[nH]2)C1 1875405884 QOPWDSYDUCBBLY-ZWKOTPCHSA-N 367.501 1.026 0 50 FDAA Cc1nnc2n1C[C@H](CN(C)C)N(C(=O)c1cc(O)nc(C3CC3)c1)C2 952849654 ZMJMPENRRBFLGP-AWEZNQCLSA-N 356.430 1.151 0 50 FDAA CC1CCN(S(=O)(=O)N(C)C[C@@H]2Cc3ccccc3CN2C)CC1 952866940 HBUCYIPINYHVOU-SFHVURJKSA-N 351.516 1.952 0 50 FDAA CS(=O)(=O)N1CCCC[C@@H]1CCNC(=O)CCN1CCCCCC1=O 952992075 WJAHIABDCOGIIZ-OAHLLOKOSA-N 373.519 1.100 0 50 FDAA O=C(NCc1noc(-c2ccco2)n1)[C@H]1CC(=O)N(Cc2cccnc2)C1 952872361 MHRMPQHHXIYJKS-ZDUSSCGKSA-N 367.365 1.390 0 50 FDAA COc1cc(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)ccc1Cl 888093851 ZGALIDRJMODMCC-DZGCQCFKSA-N 351.790 1.658 0 50 FDAA CCOC(=O)c1cnn(C2CCN(C(=O)C(F)(F)C3(O)CCC3)CC2)c1 1330625929 IDOSORZYIVQTDS-UHFFFAOYSA-N 371.384 1.774 0 50 FDAA Cc1nc(CN2CC[C@H](NC(=O)c3cccc4ccnn34)[C@@H](O)C2)cs1 1565516966 LKBWLCHYGXOUTC-RDJZCZTQSA-N 371.466 1.464 0 50 FDAA Cc1ccc(C(=O)N[C@H]2CCOC[C@@H]2OCc2c(C)noc2C)c(O)n1 1565508045 XAOLFAZBJSQPLQ-HOTGVXAUSA-N 361.398 1.805 0 50 FDAA COc1cccc(Oc2ccc(NC(=O)N[C@H]3CNCC[C@@H]3O)cn2)c1 1565516945 HGQRFVXSYRBWNO-HOTGVXAUSA-N 358.398 1.727 0 50 FDAA Cc1ncc(C(=O)N[C@H]2CCN(C(=O)c3ccccc3)C[C@@H]2O)c(C)n1 1565514820 VWPWOCDZQCCKEU-IRXDYDNUSA-N 354.410 1.099 0 50 FDAA C[C@@H]1c2nncn2CCN1C(=O)C1(OCc2ccccc2)CCOCC1 277073862 QZXJAXWQHFSEQK-OAHLLOKOSA-N 356.426 1.947 0 50 FDAA CC(C)Oc1ccc(NC(=O)NC[C@@H]2CC(C(N)=O)=NO2)cc1Cl 170609685 OYMCPQNOTSXUNG-JTQLQIEISA-N 354.794 1.879 0 50 FDAA COc1ccc(Br)cc1CNC(=O)N1CC(=O)N(C2CC2)C1 279876623 FXBLHZSBAQXSPE-UHFFFAOYSA-N 368.231 1.931 0 50 FDAA Cc1ccc(C(=O)N2CC[S@](=O)C[C@H](C)C2)cc1NS(C)(=O)=O 408397207 SDNSBIRMSZVFDJ-XFNZEKPQSA-N 358.485 1.207 0 50 FDAA COc1ccc([C@H]2OCC[C@@H]2NC(=O)c2cc(C)nc3c2cnn3C)cn1 225432283 CANZIJBCYGIZET-DOTOQJQBSA-N 367.409 1.940 0 50 FDAA Cc1cc(CN2CCN(C(=O)NC[C@@H](C)Cn3ccnc3C)CC2)no1 194882015 XRNHWUBWLOKHQN-CQSZACIVSA-N 360.462 1.651 0 50 FDAA COCCn1cnnc1CCNS(=O)(=O)c1cc(C)c(C)cc1OC 1506400914 CZTJHXFQCUXCRB-UHFFFAOYSA-N 368.459 1.071 0 50 FDAA O=C(CCN1CCOCC1)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1529186914 MLJHJJWZMMNECV-XLIONFOSSA-N 369.465 1.631 0 50 FDAA Cc1c(NC(=O)CN2CCC[C@]3(C2)C(=O)Nc2ccccc23)cnn1C 1529180706 JEYXKMPJBDFUIO-LJQANCHMSA-N 353.426 1.653 0 50 FDAA CC(=O)N[C@H]1CN(C(=O)c2cnn3ccccc23)C[C@@H]1c1ccc(C)o1 212561022 KCEGPLJFFHIVDZ-HOTGVXAUSA-N 352.394 1.980 0 50 FDAA Cc1cc(=O)n(CC(=O)N[C@H]2CC[C@@H](C(=O)Nc3ccccc3)C2)nc1C 216838737 HDDDSCUBTFGMNP-WBVHZDCISA-N 368.437 1.784 0 50 FDAA COc1ccc([C@H]2CN(C(=O)c3ccnc(N)c3)C[C@@H]2NC(C)=O)cc1 219854452 PNNLOAMPGAHPKO-SJORKVTESA-N 354.410 1.417 0 50 FDAA Cn1ccc(C2CCN(C(=O)c3cc(N4CCOCC4)no3)CC2)cc1=O 1772819165 GFXWHNMDCOWEPU-UHFFFAOYSA-N 372.425 1.230 0 50 FDAA Cc1cccc(Nc2nc(N)nc(CN3C[C@@H]4COC[C@]4(C(=O)O)C3)n2)c1 1775980873 JYIAFGNUVHEDSY-KZULUSFZSA-N 370.413 1.039 0 50 FDAA O=C1CO[C@]2(CCN(C(=O)CC3CCN(Cc4ccccc4)CC3)C2)CN1 1772813379 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HCFMNXSYWHFPTD-GAFUQQFSSA-N 350.806 1.258 0 50 FDAA COc1ccc(CCN2C[C@H](NC(=O)NCc3ccco3)CC2=O)cc1 15074630 YQROFWBOXKXRSE-OAHLLOKOSA-N 357.410 1.931 0 50 FDAA COc1ccc(C(=O)N2CC[C@@H](n3cc(-c4nc(C)no4)nn3)C2)cc1 169778648 VCLHKRUSQSNMGF-CYBMUJFWSA-N 354.370 1.732 0 50 FDAA COc1ccc(/C=c2/sc3nc(-c4ccncc4)nn3c2=O)cc1OC 1481393 UBISCKOBWFDSFS-XNTDXEJSSA-N 366.402 1.778 0 50 FDAA CC(C)(C)NC(=O)CN1CC[C@@H](O)[C@]2(CCCN(C(=O)C3CCC3)C2)C1 1857683340 QWEJEYPPAQDRBM-OXQOHEQNSA-N 365.518 1.377 0 50 FDAA O=C(N[C@@H]1CN2CCCC[C@@]2(C(=O)NCc2cccnc2)C1)c1ccc[nH]1 1857706735 OXTGDIVYXSKACA-JXFKEZNVSA-N 367.453 1.453 0 50 FDAA CCn1cc(C(=O)NC[C@H]2[C@H]3CN(C4CCOCC4)C[C@]34CC[C@H]2O4)cn1 1857715145 DNQQVZXHGKZRCT-JRBPQWBISA-N 374.485 1.291 0 50 FDAA CS(=O)(=O)N1C[C@@H]2[C@H](CNC(=O)CCC3CCCC3)[C@H]3CC[C@]2(C1)O3 1857715381 OYTBPOKFJHLNSI-BVIKNXMNSA-N 370.515 1.512 0 50 FDAA CCS(=O)(=O)NCCN1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 331653041 ZVUMQNPRZVMOKM-QWHCGFSZSA-N 358.464 1.387 0 50 FDAA C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)NCc1ccc(S(C)(=O)=O)s1 332850273 SMAPGMAKZFYYES-JSGCOSHPSA-N 371.528 1.920 0 50 FDAA CC(C)c1scnc1C(=O)NC1CCN([C@@H]2CCN(C)C2=O)CC1 333469382 NIQBZPDPMPMKJM-CYBMUJFWSA-N 350.488 1.691 0 50 FDAA CO[C@@H](C(=O)N1C[C@@H]2CCCN(C(=O)[C@H](OC)C3CC3)[C@@H]2C1)C1CC1 334128355 RHDNDHKCWNHORO-YLFCFFPRSA-N 350.459 1.286 0 50 FDAA CCC(=O)N1CCN(Cc2ccccc2CC)[C@@H]2CS(=O)(=O)C[C@@H]21 253374543 MRPTVOXCVFOHRB-SJORKVTESA-N 350.484 1.469 0 50 FDAA O=C1NCCC2(CCN(S(=O)(=O)c3cccc4ccncc34)CC2)O1 921760428 HACPEULRYANGRX-UHFFFAOYSA-N 361.423 1.888 0 50 FDAA CC(C)[C@@H]1N(C)C[C@@]12C[C@@H](O)[C@H](NC(=O)Cc1ccc3c(c1)COC3)C2 926161002 HMUURESODZVJAV-RMVXJAJNSA-N 358.482 1.855 0 50 FDAA O=C(c1ccc(Cl)cn1)N1CC[C@]2(C1)C(=O)N(CCO)c1ccccc12 2100482500 DLZAYODCBNVPTF-LJQANCHMSA-N 371.824 1.858 0 50 FDAA C[C@@H](N)C1CCN(C(=O)Cn2cc(I)cn2)CC1 2325778375 VZNXFSUODVSRST-SECBINFHSA-N 362.215 1.074 0 50 FDAA COC[C@H](C)CC(=O)N[C@H]1CN(C(=O)[C@H]2CC(C(C)C)=NO2)C[C@H]1C 2325862704 FAEBIVRDIAQRJB-LUYZLQTOSA-N 353.463 1.423 0 50 FDAA CCN(C)CC(=O)N[C@@H](C)C[C@H](C)NC(=O)Cc1cc(C2CC2)on1 2325868135 PRBMLSUREKFLKW-STQMWFEESA-N 350.463 1.446 0 50 FDAA O=C(CCc1nc(-c2ccncc2)no1)NC[C@H](O)c1cccc(O)n1 2356141566 HNKFHJSEVQDTEH-ZDUSSCGKSA-N 355.354 1.015 0 50 FDAA CC(C)n1c(CN(C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 2522885 PRSOCRILJKOKLV-UHFFFAOYSA-N 355.442 1.647 0 50 FDAA CN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)[C@@H]1C[C@@H]2CNC(=O)C[C@@H]2C1 2356150839 BRJGVULZMDHRIE-ZNMIVQPWSA-N 364.467 1.006 0 50 FDAA CS(=O)(=O)c1cccc(C(=O)N2CCC[C@@]3(CCc4c[nH]nc43)C2)c1 2356153482 IZZGBCFGTAQICC-GOSISDBHSA-N 359.451 1.933 0 50 FDAA Cc1ccc(C(=O)NCc2cccc3ncnn23)cc1N1CCNC1=O 2356156820 SJIZGDFRZBQLJY-UHFFFAOYSA-N 350.382 1.497 0 50 FDAA CCCN1CCC[C@@]2(CCCN2S(=O)(=O)c2cnn(CC)c2C)C1=O 2356168873 FQKULKAIBYNQRS-QGZVFWFLSA-N 368.503 1.767 0 50 FDAA O=C(Cn1nnc(-c2ccc3c(c2)OCO3)n1)Nc1ccc(F)c(F)c1 4141745 MNWWJWYQBKKEDT-UHFFFAOYSA-N 359.292 1.986 0 50 FDAA O=C1C[C@H](O)[C@@H]2c3c(ccc(O)c31)-c1ccc(O)c3c1[C@@]2(O)CCC3=O 6092274 GJIALGLHOBXNAT-KPOBHBOGSA-N 352.342 1.973 0 50 FDAA biogenic,in-vitro O=C1NCCN(Cc2ccc(F)cc2Cl)[C@@H]1CC(=O)N1CCCC1 55253811 OJBHEHVXSSKYNV-OAHLLOKOSA-N 353.825 1.792 0 50 FDAA COCCN1CCC[C@@H](CN(C)C(=O)c2ccccc2NCC(=O)O)C1 55227606 ADERGZSWVSDKNC-HNNXBMFYSA-N 363.458 1.614 0 50 FDAA CC(=O)Oc1c(C)cc(CN2CCN(c3cn[nH]c(=O)c3)CC2)cc1C 63884050 ZNEKEWBYVXVOOS-UHFFFAOYSA-N 356.426 1.634 0 50 FDAA CCn1ncnc1[C@@H](C)NC(=O)c1cn(CC)c2nc(C)ccc2c1=O 67847010 LAEZPYCSJLMVEN-GFCCVEGCSA-N 354.414 1.827 0 50 FDAA CCc1n[nH]c(SCC(=O)N2CCC(O)(c3ccc(C)cn3)CC2)n1 67689151 VIEPGXGIJINLGU-UHFFFAOYSA-N 361.471 1.673 0 50 FDAA COc1ccc(OCc2cc(C(=O)N[C@H]3CCNC3=O)n[nH]2)c(Cl)c1 67674122 HUMBBDQAILEXTH-LBPRGKRZSA-N 364.789 1.269 0 50 FDAA Cc1nc2c(c(=O)n1C)CN(C(=O)CCc1nc(-c3ccccc3)no1)C2 77503410 JFLIEXHBUUWYLH-UHFFFAOYSA-N 365.393 1.614 0 50 FDAA CNC(=O)[C@@H]1CCN(C(=O)c2cc(COc3ccccc3OC)[nH]n2)C1 67921146 BTXRZHNCDRBLOK-GFCCVEGCSA-N 358.398 1.205 0 50 FDAA O=C(N[C@H]1CC(=O)N(CC(F)(F)F)C1)c1cc(-c2ccncc2)on1 151583082 VTWAZGZQVUAYAZ-JTQLQIEISA-N 354.288 1.630 0 50 FDAA CN(C)c1ncccc1CNC(=O)CN1C[C@H](c2ccccc2)CC1=O 12437817 KUGXHPHDFQMGIG-QGZVFWFLSA-N 352.438 1.780 0 50 FDAA CCC(CC)N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2nccn2C)[C@@H]3C1=O 77407084 LGYFKCHXCMEBNK-MCNSXXNHSA-N 372.469 1.349 0 50 FDAA CN(C)C(=O)CN1CCCN(Cc2cc(CN3CCCC3)cs2)CC1 214980121 WHEXPAQQVUISSV-UHFFFAOYSA-N 364.559 1.940 0 50 FDAA O=C(CN1CCCC1)N1CCC(Oc2cccc(F)c2)(C(=O)O)CC1 72432900 PSTOWBYCCRRRGN-UHFFFAOYSA-N 350.390 1.746 0 50 FDAA CC(C)[C@H]1CN(C(=O)CCC(N)=O)CCC(=O)N1Cc1ccc(F)cc1 71681761 UAPRQOSKGQYLKP-MRXNPFEDSA-N 363.433 1.677 0 50 FDAA CN(C)c1noc(CNC(=O)N2CCC(NC(=O)c3ccccc3)CC2)n1 365742908 JRLDABZBMFCURG-UHFFFAOYSA-N 372.429 1.240 0 50 FDAA O=C1CN(C(=O)[C@@H](O)Cc2ccccc2)CCN1Cc1cccc(F)c1 72454067 JRSYQBKCLYMWRY-SFHVURJKSA-N 356.397 1.600 0 50 FDAA COc1cccc(CN2CC[C@@H](N)[C@@H](OC)C2)c1OCCn1ccnc1 71750108 REJRAOWWWGTUNR-AEFFLSMTSA-N 360.458 1.519 0 50 FDAA CCCc1cc(C(=O)N2CCNC[C@H]2C(=O)Nc2ccc(F)cc2)no1 72133581 JOBISBUGBVLREQ-INIZCTEOSA-N 360.389 1.819 0 50 FDAA CN1C(=O)CCc2cc(CN[C@@H]3CCN(C4CCOCC4)C3=O)ccc21 373460896 LIZVSALKUGNQKO-QGZVFWFLSA-N 357.454 1.465 0 50 FDAA CCN1C[C@@H](C(=O)N[C@@H](Cc2c[nH]c3cc(F)ccc23)C(=O)O)CC1=O 236829926 SQCNPYWJGMYMLY-NHYWBVRUSA-N 361.373 1.287 0 50 FDAA COc1ccc(OC2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC2)cc1 72432950 RCLKRRZQIASXEP-HNNXBMFYSA-N 361.398 1.053 0 50 FDAA Cc1nn(Cc2ccccc2)c(N)c1C(=O)N1CC[C@H](n2cncn2)C1 376095309 UBWAWYFLEFSRGI-HNNXBMFYSA-N 351.414 1.501 0 50 FDAA O=C(NCCn1cncn1)[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 219976966 CCTWWHVBDKJHCW-LLVKDONJSA-N 354.336 1.335 0 50 FDAA Nc1nc(N2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc(-n2cccn2)n1 377157500 GGFPXICGLIJSFZ-IBGZPJMESA-N 368.416 1.815 0 50 FDAA Cc1nc(CCNC(=O)CCn2c(=O)[nH]c3ccccc32)nc2c1CCC2 215199174 WUIKEYGXQQRGDK-UHFFFAOYSA-N 365.437 1.666 0 50 FDAA Cc1cc(CS(=O)(=O)N2CCN(CC(F)(F)F)C[C@H](C)C2)on1 333640408 BZEMMPGVUFRCON-JTQLQIEISA-N 355.382 1.629 0 50 FDAA Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1[C@H]2CC[C@H]1COC2 333774484 SOIXMKCZNJXSHH-KBPBESRZSA-N 350.440 1.439 0 50 FDAA Cc1nccn1CCN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C(C)(C)C)C(=O)[C@@H]13)O2 77323839 QABIWHKGJWYEFT-ROYATCLZSA-N 372.469 1.230 0 50 FDAA O=C(O)c1ccnc(-c2ccnc(NCCN3CCCC[C@H]3CO)n2)c1 72480350 ZQUBXBUROKAPTH-AWEZNQCLSA-N 357.414 1.496 0 50 FDAA NS(=O)(=O)c1ccc(C(=O)N2CCCN(Cc3ccccn3)CC2)cc1 216437081 PFYPIDGMDVRGMS-UHFFFAOYSA-N 374.466 1.077 0 50 FDAA CCn1cnnc1NC(=O)[C@@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 285943335 UZKQJEMLVMAJRL-HZSPNIEDSA-N 359.430 1.602 0 50 FDAA O=C([C@@H]1CCOC1)N1CCc2cccc(S(=O)(=O)N3CCCC3)c2C1 77343531 TWAUWOBVFKSXAZ-OAHLLOKOSA-N 364.467 1.392 0 50 FDAA CCCS(=O)(=O)N1CCC[C@@H](c2nnc(CN3CCCCC3)n2C)C1 72434220 BVCYNGRKGFTPAZ-OAHLLOKOSA-N 369.535 1.720 0 50 FDAA CN1C[C@@]2(CCCN(C(=O)Cc3ccc4c(c3)NC(=O)CO4)CC2)OC1=O 72144765 ZZZKTNQYLWDIKG-IBGZPJMESA-N 373.409 1.393 0 50 FDAA O=C(c1ccccc1C(F)(F)F)N1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1 14971207 OCNHUNOSVUQDSH-HZPDHXFCSA-N 372.387 1.738 0 50 FDAA Cn1c2c(cc(C(=O)N[C@@H]3CCCN(c4cnccn4)C3)c1=O)CCCC2 426419981 LCHXJYSXBCXUDH-OAHLLOKOSA-N 367.453 1.453 0 50 FDAA CCN(CC)C(=O)CSc1sc2c(O)cc(=O)[nH]c2c1C(N)=O 40266597 ANPVHSBJLJSZTL-UHFFFAOYSA-N 355.441 1.355 0 50 FDAA Cc1nn(C)c2cc(NC(=O)C(=O)N3CC[C@@H](N4CCCC4=O)C3)ccc12 291822398 RMYCPDZLNWFQRR-CQSZACIVSA-N 369.425 1.044 0 50 FDAA COc1ccc([C@H](NC(=O)c2ccnn2CCO)c2ccncc2)cc1 426523726 UCEBZSCHHHVOKU-SFHVURJKSA-N 352.394 1.798 0 50 FDAA CN1CC[C@@H](NC(=O)N2C[C@@H]3CN(C)C[C@@H]3C2)[C@@H](Cc2ccccc2)C1 426689355 YEPDZQOMNLRLAW-VNTMZGSJSA-N 356.514 1.752 0 50 FDAA O=S(=O)(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1cccs1 220033600 KHQHVWGTFFADHM-NEPJUHHUSA-N 360.482 1.857 0 50 FDAA Cc1nc([C@@H]2CCCN(C(=O)NCc3nc(-c4ccccn4)no3)C2)no1 426380444 NEGKNFGBMUVWHF-GFCCVEGCSA-N 369.385 1.912 0 50 FDAA Cc1ccc(OCCN)c(C(=O)N2CCNC(=O)[C@@H]2c2ccc(F)cc2)c1 426396389 IGICVLQDIXHWBJ-SFHVURJKSA-N 371.412 1.785 0 50 FDAA O=C(Cn1c(=O)cnc2ccccc21)N1CCC[C@@H](C(=O)N2CCCC2)C1 95505537 CSTOWONLSDGMFW-OAHLLOKOSA-N 368.437 1.258 0 50 FDAA Cc1cc(N2CCC(c3nnc(CN4CCN(C)CC4)n3C)CC2)ccn1 95374303 ZCBQHHZJOHVJFS-UHFFFAOYSA-N 369.517 1.650 0 50 FDAA CCn1c(C)cc(C(=O)N2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)c1C 95390762 QQGDREIBRYKWGJ-QZTJIDSGSA-N 362.518 1.053 0 50 FDAA Cc1ncc(S(C)(=O)=O)c(N[C@@H](C)c2nc(-c3ccccn3)no2)n1 95384590 TWPVZFMENKEQAC-VIFPVBQESA-N 360.399 1.807 0 50 FDAA COc1ccnc(-c2ccc(C(=O)NC[C@@H]3COCCN(C)C3)cc2)n1 426624759 LUSRCHWZXOQLDP-AWEZNQCLSA-N 356.426 1.460 0 50 FDAA CCc1c(C)nc(C)nc1N1CC[C@](O)(CN2CCOCC2)C(C)(C)C1 92046485 BDFCWOCTTPCWOV-FQEVSTJZSA-N 362.518 1.955 0 50 FDAA Cn1cccc1-c1cc(C(=O)NCCc2nc(-c3cccnc3)n[nH]2)[nH]n1 91624900 HVJSNPWMXNMREK-UHFFFAOYSA-N 362.397 1.568 0 50 FDAA C[C@H](C(=O)O)N1CC2(CCC1=O)CCN(C(=O)CCc1cccnc1)CC2 91872845 PGSVZTSUKJKKGK-OAHLLOKOSA-N 373.453 1.719 0 50 FDAA NC(=O)[C@H]1CCCN(CCNC(=O)c2ccc3cccc(Cl)c3n2)C1 97797224 KCTICDDRHULGGQ-ZDUSSCGKSA-N 360.845 1.815 0 50 FDAA 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CN(C(=O)c1ccc(N2CCCCS2(=O)=O)cc1)[C@H]1CCCC[C@H]1O 67601835 ZHAWXBNQFFBRNH-DLBZAZTESA-N 366.483 1.992 0 50 FDAA O=C(NCc1cccc(F)c1)N1CCn2nc(C(=O)N3CCCC3)cc2C1 65387779 OOURNEGBWCSERU-UHFFFAOYSA-N 371.416 1.984 0 50 FDAA CCc1noc2ncc(S(=O)(=O)NC[C@@H]3CCc4nccn4C3)cc12 328641810 YACCZFCFHNADBT-NSHDSACASA-N 361.427 1.523 0 50 FDAA CN(CC(=O)Nc1ccccc1F)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 253428017 CAALCSHVMODWLF-GJZGRUSLSA-N 367.421 1.676 0 50 FDAA O=C([C@@H]1CCCN(C2CCN(Cc3ncccn3)CC2)C1)N1CCOCC1 71764580 MNBDIEONGBEEIG-QGZVFWFLSA-N 373.501 1.012 0 50 FDAA O=C(NC[C@@H]1CCC[C@]12N=C(O)N=C2O)c1ccncc1Br 330059948 LUZSXHLFGQMSJM-RTHLEPHNSA-N 367.203 1.997 0 50 FDAA Cc1nn(C)c(C(=O)N2N=CC[C@]2(O)C(F)(F)F)c1Br 6920984 QFJYENHRTQJHQE-VIFPVBQESA-N 355.114 1.574 0 50 FDAA CSCc1noc(CN2CCCn3nc(CCC(=O)O)cc3C2)n1 72426527 ACSHVBVMOASWHE-UHFFFAOYSA-N 351.432 1.552 0 50 FDAA Cc1cc(NC(=O)CN2Cc3ccccc3[C@H](n3cccn3)C2)n(C)n1 363232295 SDBIPIALJUDYKQ-QGZVFWFLSA-N 350.426 1.969 0 50 FDAA CC(C)C(=O)Nc1nc(CC(=O)N2CCOC[C@H]2c2ncon2)cs1 331615120 MSIGODCBIMVPLC-NSHDSACASA-N 365.415 1.263 0 50 FDAA CN(C)c1nc(-c2ccccn2)nc2c1CCN(C(=O)[C@H]1CCCN1)C2 71757266 NXBHANFZUAOYIH-OAHLLOKOSA-N 352.442 1.241 0 50 FDAA C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2ccn(CC(=O)O)n2)C1=O 263028425 UELFRKFUEHLJNY-NSHDSACASA-N 358.354 1.110 0 50 FDAA O=C(O)c1cccc(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)n1 262354197 BXXZZUXPMZVCKC-CKEIUWERSA-N 365.389 1.667 0 50 FDAA COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)NC(C)(C)C 72129435 GAUHXNZUTXJDFY-MNDMWVCDSA-N 359.470 1.814 0 50 FDAA CCN1C[C@@]2(C(=O)O)CN(C(=O)c3ccc4c(c3)CCCO4)C[C@H]2C1=O 72428914 XRIUJKDKRVEXGN-IFXJQAMLSA-N 358.394 1.017 0 50 FDAA O=C1COc2ccc(C(=O)N3CC[C@](O)(c4ccc(F)cc4)C3)cc2N1 375034406 CSNHPQRFRZSLDT-LJQANCHMSA-N 356.353 1.890 0 50 FDAA COCc1nc(N(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)c2cnn(C)c2n1 72159380 VOMGEINFVLRKPN-ZDUSSCGKSA-N 372.473 1.737 0 50 FDAA COc1ccc(CCC(=O)N2CCc3nc[nH]c3[C@H]2C(=O)O)cc1OC 72422365 VZAOMCAQLDJEES-KRWDZBQOSA-N 359.382 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C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 239433112 XFOXJSLOKBYOAR-LKPSZLMSSA-N 361.401 1.627 0 50 FDAA CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2Br)CC1 142490435 XPPXEQTVBHOODM-UHFFFAOYSA-N 355.204 1.663 0 50 FDAA CCCN(C)Cc1ccc(OC)c(OC[C@H](O)CN2CCN(C)CC2)c1 95516895 KSNUORGTVXUHSR-GOSISDBHSA-N 365.518 1.524 0 50 FDAA CCNc1ncc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3cccc(OC)c3)C2)cn1 91474731 QSFLDBOFUXDWRP-JKSUJKDBSA-N 370.409 1.857 0 50 FDAA COc1ccccc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239302576 FKZWULLRYFIHQO-UWTIAYHASA-N 352.390 1.687 0 50 FDAA COc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2O)cc1F 244811563 SGYCMBPVQIDSPT-IAGOWNOFSA-N 359.401 1.595 0 50 FDAA O=C(O)c1cccc(S(=O)(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)c1 240228128 KGLORXJTFOUFBM-XEZPLFJOSA-N 362.407 1.570 0 50 FDAA Nc1nc(CCC(=O)N[C@@H]2CCN(C(=O)c3ccccc3)C[C@H]2O)cs1 244608528 FEGASDWDASRBJV-HUUCEWRRSA-N 374.466 1.050 0 50 FDAA Cc1oc(CNC(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)cc1C(=O)O 299747643 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Cc1cnn([C@@H]2[C@@H](NC(=O)c3ccccc3Cn3cccn3)C[C@H]2O)c1 888076978 ARZZGEKWWZVMSY-RCCFBDPRSA-N 351.410 1.541 0 50 FDAA Cc1cc(C(=O)N[C@H]2CCN(C(=O)c3ccc(Cl)cn3)C[C@@H]2O)no1 1565514087 JADKTEQEAURWDB-FZMZJTMJSA-N 364.789 1.037 0 50 FDAA COc1cc(CCC(=O)N[C@H]2CCOC[C@@H]2OCC(=O)O)ccc1C 1565511685 FBLUQZAXXAOOIR-HOCLYGCPSA-N 351.399 1.311 0 50 FDAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccc3nn[nH]c3c1)C2 1565515495 OBDQTBFBULHMCD-CABCVRRESA-N 353.426 1.987 0 50 FDAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(C)[C@H]1CCS(=O)(=O)C1 170594110 DGANQKSRQKLYCV-INIZCTEOSA-N 361.467 1.677 0 50 FDAA O=C(CCn1c(S)nnc1-c1cccs1)NC[C@H]1CCC[C@@H]1O 170651861 NTWSPHZMRKSFSE-MNOVXSKESA-N 352.485 1.963 0 50 FDAA O=C(NCCc1cc(Cl)c2c(c1)OCCO2)N1CC(=O)N(C2CC2)C1 279919121 IBUKIXKQMKGNCQ-UHFFFAOYSA-N 365.817 1.627 0 50 FDAA Cc1nn(C)c2ncc(S(=O)(=O)N(C)CC3(N(C)C)CCC3)cc12 189133709 UNWNMJCKONNGKB-UHFFFAOYSA-N 351.476 1.382 0 50 FDAA CC(C)c1ccccc1S(=O)(=O)N1CCC[C@H](N2CCNCC2=O)C1 193312160 HEODOJRTMBHAKS-HNNXBMFYSA-N 365.499 1.395 0 50 FDAA COc1ccc([C@@H](C(=O)O)N2CCN(C(=O)c3ccco3)CC2)cc1OC 1506407328 MYBXWMSTFBEDGS-KRWDZBQOSA-N 374.393 1.881 0 50 FDAA O=C(NCc1csc(-c2ncccn2)n1)c1cnc2ccccn2c1=O 1506418305 WEQWDAQUEZUAAZ-UHFFFAOYSA-N 364.390 1.538 0 50 FDAA COC(=O)[C@@H]1C[C@H](O)CCN1C(=O)Cc1csc(-c2ccccc2)n1 210082630 AVGGZXAFLJSXNH-CABCVRRESA-N 360.435 1.878 0 50 FDAA COCC1CCN(C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2C)CC1 1529115062 XWALWFOKXZHUIL-MOPGFXCFSA-N 360.454 1.778 0 50 FDAA O=C1CCC(C(=O)N[C@H]2CC[C@@H](C(=O)Nc3ccc(Cl)cc3)C2)=NN1 215593425 LBPYMMGAIWNQFQ-MFKMUULPSA-N 362.817 1.829 0 50 FDAA CCC[C@H]1CN(C(=O)c2ccccc2N2CCOCC2)C[C@@H]1NC(C)=O 220146914 ZDGBUOGXZRJNGI-WMZOPIPTSA-N 359.470 1.900 0 50 FDAA COc1ccc(CN(CCO)Cc2cnc(C)[nH]2)cc1Cn1cncn1 1704330775 JTFUHTZAFVFZLI-UHFFFAOYSA-N 356.430 1.361 0 50 FDAA Cc1nnc(CN2CCCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)o1 1772711106 FIQJOAIEDRIFNJ-UHFFFAOYSA-N 366.425 1.912 0 50 FDAA Cc1nc(C)c(C(=O)N2C[C@@H]3CN(C(=O)CC4=CCCC4)C[C@]3(CO)C2)o1 1772701700 RILBIMBQENJJRS-OXJNMPFZSA-N 373.453 1.685 0 50 FDAA CN(Cc1cnn(C)c1)C[C@]1(O)CCCN(Cc2ccc(F)cc2)C1=O 11874495 WYWOXAFNQAJLBK-LJQANCHMSA-N 360.433 1.545 0 50 FDAA O=C(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1nc2ccccc2c(=O)[nH]1 222426246 NFPGJVCWRYUPLF-OZVIIMIRSA-N 350.378 1.560 0 50 FDAA O=C(N1CC[C@H](O)[C@@]2(CCCNC2=O)C1)C1(Nc2ccccc2)CCCC1 1857693018 FAGVGDAPHMNKDO-FXAWDEMLSA-N 371.481 1.901 0 50 FDAA Cc1nn(CCO)c(C)c1-n1ccnc1-c1cnc(N2CCOCC2)s1 1857699254 JTFWPMVFFJGBFX-UHFFFAOYSA-N 374.470 1.638 0 50 FDAA Cc1ccc2c(c1)C(=O)NCCN(C(=O)C1CC1)CCCC(=O)NCCO2 1857704299 MSNJQYWMKBBSMY-UHFFFAOYSA-N 373.453 1.252 0 50 FDAA Cn1ccn2ncc(C(=O)N3CC[C@@H](O)[C@@](CO)(Cc4ccccc4)C3)c12 1857722175 QIMGAGPIYFTOQT-XLIONFOSSA-N 368.437 1.101 0 50 FDAA O=C(c1cnn(Cc2ccccc2)c1)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1875246909 HGPIDRAAUSESHF-XLIONFOSSA-N 366.421 1.495 0 50 FDAA Cc1ccccc1[C@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C[C@@H]1C(=O)O 222425601 NZPRCQZYLPGHGR-CVEARBPZSA-N 365.451 1.446 0 50 FDAA 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CCn1nc(CNC(=O)C[C@@H]2C(=O)NCCN2C(C)C)c2ccccc21 299758443 KXOQSADGBHTFBU-QGZVFWFLSA-N 357.458 1.271 0 50 FDAA O=C(Nc1cccc(-n2cnnn2)c1)NC1CCN(C2CCOCC2)CC1 299792582 FUTSZGJSYCLSLK-UHFFFAOYSA-N 371.445 1.427 0 50 FDAA O=C(NC[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccon1 826593287 XXPPLMMEACGLMJ-LBPRGKRZSA-N 367.402 1.644 0 50 FDAA CCSC[C@H](C)N1CCOC2(CCN(C(=O)CCNC(C)=O)CC2)C1 823421473 QLMBJEREBNJEHM-HNNXBMFYSA-N 371.547 1.348 0 50 FDAA OC[C@@H](O)c1cc2n(n1)CCN(Cc1cnc(C3CCCCC3)nc1)C2 828681120 SHQGVSOZHOEHEE-GOSISDBHSA-N 357.458 1.762 0 50 FDAA CC(C)Cc1cc(CNS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)on1 670468539 KKOWJQZZKINGKW-UHFFFAOYSA-N 365.411 1.797 0 50 FDAA Cc1[nH]nc(-c2nnc(N3CCO[C@@H](CF)C3)n2C)c1Br 1875276813 DPYDFCFXXHPHMC-QMMMGPOBSA-N 359.203 1.451 0 50 FDAA CSCC[C@H](NC(=O)NCCCc1nnc2ccccn12)C(=O)O 1875258419 WOUQGHWYBHVLBV-NSHDSACASA-N 351.432 1.167 0 50 FDAA CN1CC[C@H](CNC(=O)CNC(=O)c2ccc3ccccc3c2)CC1=O 1875266397 QJHUKUBFPOKCEP-AWEZNQCLSA-N 353.422 1.554 0 50 FDAA 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1.971 0 50 FDAA CS(=O)(=O)Nc1nnc(NC(=O)C2(c3cccc(F)c3)CC2)s1 115342032 RKKYGXCVBWBKMM-UHFFFAOYSA-N 356.404 1.719 0 50 FDAA Cn1cc(Oc2ccccc2C(=O)N2CCN([C@H]3CCOC3)CC2)cn1 367287118 GVGWRBVSJAVDEP-HNNXBMFYSA-N 356.426 1.759 0 50 FDAA O=C(Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)O)c1)c1cnccn1 262441391 NIQYBVAYHKWLDL-HNNXBMFYSA-N 354.366 1.808 0 50 FDAA CCOc1ccc(S(=O)(=O)N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)cc1 1704344445 NSVZESJYINPAAF-QZTJIDSGSA-N 368.499 1.553 0 50 FDAA O=C(O)[C@H]1CCN(S(=O)(=O)N2C[C@H]3CC[C@H]2C3)c2ccccc2C1 2325788990 YPJBKCARSMRGCR-QEJZJMRPSA-N 350.440 1.869 0 50 FDAA O=C(c1cc2nccc(C(F)(F)F)n2n1)N1CC(O)(c2ccccn2)C1 2325802690 UWRUVCQVWCBHBY-UHFFFAOYSA-N 363.299 1.487 0 50 FDAA COc1ccc(F)c2c1C[C@@H](c1nc(-c3cn(C)c(=O)nc3O)no1)N2 2325820515 UHRGACVYFBCREA-JTQLQIEISA-N 359.317 1.393 0 50 FDAA C[S@](=O)(=NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=O)C1CCCC1 2325851152 QEFPNZAWNKPSBD-LFPIHBKWSA-N 353.444 1.539 0 50 FDAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCOc3c(cccc3C(=O)OC)C2)C1 2325889421 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366.233 1.487 0 50 FDAA Cc1cc(Cl)ccc1N(CC(=O)NC[C@H]1CCCO1)S(C)(=O)=O 889059 CXCQINJIARQANL-CYBMUJFWSA-N 360.863 1.710 0 50 FDAA Cc1cccc(-c2ncc(CN3CC[C@H](O)[C@@]4(CCCNC4=O)C3)cn2)c1 2356155110 XMSBYDRNMNCGKF-GHTZIAJQSA-N 366.465 1.915 0 50 FDAA NS(=O)(=O)c1ccc(C(=O)N2CCC[C@]3(CCc4c[nH]nc43)C2)cc1 2356155526 GUZKPGWXKVYYGI-KRWDZBQOSA-N 360.439 1.177 0 50 FDAA COc1ccc(C(N)=O)cc1NC(=O)CC(O)(C(F)(F)F)C(F)(F)F 4196489 ZXHLLKIVTSLBNK-UHFFFAOYSA-N 374.237 1.978 0 50 FDAA CSCC[C@H](NC(C)=O)C(=O)OCC(=O)Nc1nnc(C(C)C)s1 4801903 LGTNJPLXJSZZER-JTQLQIEISA-N 374.488 1.401 0 50 FDAA biogenic Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)o1 8380651 BVIULEBWLSTVGN-UHFFFAOYSA-N 352.387 1.874 0 50 FDAA CCN(Cc1nc(COC)no1)C(=O)C1CCN(c2ncccn2)CC1 55309568 VCMIYUCPBHMGND-UHFFFAOYSA-N 360.418 1.271 0 50 FDAA CCOc1ccccc1CNC(=O)C1CCN(S(=O)(=O)CC)CC1 53162419 JURRSXGJKCJDBL-UHFFFAOYSA-N 354.472 1.763 0 50 FDAA CCc1n[nH]c(SCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC)n1 55340920 RBOLFULDBWFJNL-LBPRGKRZSA-N 364.427 1.065 0 50 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C[C@@]1(C(=O)O)CCN(C(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)C1 332141171 PUMXLFCJCMDBAF-APPDUMDISA-N 352.337 1.641 0 50 FDAA CCOc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)N(C(C)C)C2)CC1 72410618 LESGYYKPKLLLJD-MRXNPFEDSA-N 359.470 1.991 0 50 FDAA O=C(NC[C@H]1CCC[C@]12N=C(O)N=C2O)c1ccncc1Br 330059946 LUZSXHLFGQMSJM-CLAHSXSESA-N 367.203 1.997 0 50 FDAA CCc1nnc2ccc(N[C@@H]3CCN(C(=O)Cc4ccccc4)C3)nn12 367832095 YTPQBHSDMAULGP-OAHLLOKOSA-N 350.426 1.942 0 50 FDAA NS(=O)(=O)C[C@H]1CCCN(C(=O)c2ccncc2C(F)(F)F)C1 330394122 IPKZJWLIUHQKCP-VIFPVBQESA-N 351.350 1.241 0 50 FDAA O=C([C@@H](c1cccnc1)N1CCOCC1)N1CCC(c2ncc[nH]2)CC1 72478308 UEOLYQGTAPQQDZ-QGZVFWFLSA-N 355.442 1.584 0 50 FDAA O=C(Cc1noc2ccc(F)cc12)N1CCS(=O)(=O)C[C@H]1C1CCC1 333144453 JVZPSWLXGUSKDK-HNNXBMFYSA-N 366.414 1.935 0 50 FDAA CNCCN(C)C(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71416120 LHBCKHVEGYZYQW-LJQANCHMSA-N 373.545 1.436 0 50 FDAA CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)C(=O)[C@H]1CCc2cccnc21 333404677 ONKKLWUMBQIOJO-JYJNAYRXSA-N 355.417 1.977 0 50 FDAA NC(=O)NCC(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccccc3)C2)C1 72475072 CVGSBSZOLFYBGX-IBGZPJMESA-N 358.442 1.086 0 50 FDAA C[C@H](O)CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)C1CC1)CC2 77485869 KAPMIQYSOVHWDK-LBPRGKRZSA-N 352.456 1.031 0 50 FDAA CCc1nccn1CC(=O)N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 72125299 XXRMVJHNDLSOIU-MRXNPFEDSA-N 358.417 1.544 0 50 FDAA CC(C)CC(=O)N1CCN(Cc2cccs2)[C@H]2CS(=O)(=O)C[C@H]21 72463132 FMXNPXNTLBGPRB-LSDHHAIUSA-N 356.513 1.604 0 50 FDAA Cc1cc(C)cc(C(=O)N2CCN(CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 77458518 BEWPPLZCDKWJOD-MSOLQXFVSA-N 364.511 1.883 0 50 FDAA O=C(O)CO[C@@H]1COCC[C@H]1NC1CCN(c2ccccc2F)CC1 222643669 KTCXKWBJAXFUAG-NVXWUHKLSA-N 352.406 1.643 0 50 FDAA Cc1ccc(O)c(-c2ccc(C(=O)NCCS(=O)(=O)N(C)C)cc2)c1 426398965 CKISEKJEDVSNAR-UHFFFAOYSA-N 362.451 1.989 0 50 FDAA C[C@@H]1CN(c2ccccc2)C(=O)CN1C(=O)Cn1c(=O)oc2ccccc21 82107958 JPNRDLUJFYYDCN-CQSZACIVSA-N 365.389 1.858 0 50 FDAA C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)[C@H](O)c1ccccc1 290151668 OLHMNMKUOYJXLU-CXIBIASBSA-N 373.453 1.725 0 50 FDAA O[C@@H]1CN(Cc2cnn(-c3ccccc3)c2)CC[C@H]1Nc1ncccn1 426674027 JLTAMZTZYRKTMA-QZTJIDSGSA-N 350.426 1.710 0 50 FDAA CC[C@H]1c2cccn2CCN1C(=O)c1cc(C)nc2c1c(O)nc(=O)n2C 426361629 BBPLZZJSXAOTTK-ZDUSSCGKSA-N 367.409 1.751 0 50 FDAA Cc1nc(CCNC(=O)N2CCC(n3cnnc3)CC2)nc2c1CCCC2 426509281 DLFUPFJLWYFMNO-UHFFFAOYSA-N 369.473 1.845 0 50 FDAA O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NC[C@@H]1C[C@H](F)CN1 426370492 LVDXIMYJUARPRY-IUCAKERBSA-N 355.719 1.337 0 50 FDAA CCN1CCCN(C(=O)CCc2ccc(S(=O)(=O)NC)cc2)CC1 223075912 UUQZJWVEPOFPTM-UHFFFAOYSA-N 353.488 1.082 0 50 FDAA CC[C@@H](O)c1cc2n(n1)CCCN(CC(=O)N1CCOc3ccccc31)C2 223789716 VKBCVMMOPNYNCD-GOSISDBHSA-N 370.453 1.958 0 50 FDAA CCN1CCN(C(=O)Nc2cc(NS(C)(=O)=O)ccc2C)[C@H](C)C1=O 426693679 GGNZQNDFQDRVEQ-GFCCVEGCSA-N 368.459 1.451 0 50 FDAA COc1ccc2c(c1)C[C@@H](C(=O)N1CCN(Cc3noc(C)n3)CC1)CO2 91745245 XDFGKDILGDCHMP-OAHLLOKOSA-N 372.425 1.282 0 50 FDAA Cn1c(Cn2ccnc2)nnc1C1CCN(c2ncnc3[nH]cnc23)CC1 91830449 JPDOLFONPYHECZ-UHFFFAOYSA-N 364.417 1.110 0 50 FDAA CS(=O)(=O)c1cc(C(=O)N2CCC(N)CC2)c(Cl)cc1Cl 237422683 FCGUXEPMNAEDLD-UHFFFAOYSA-N 351.255 1.960 0 50 FDAA COCCOC[C@H](O)CN1CCC(NC(=O)Nc2ccc(F)cc2)CC1 296776111 NAFXVTGMVKVBRF-QGZVFWFLSA-N 369.437 1.436 0 50 FDAA COCCN1CC[C@@]2(CCC1=O)CN(Cc1c(C)noc1C)CCN2C 91907709 NTCDQNNABLGMNM-IBGZPJMESA-N 364.490 1.437 0 50 FDAA CCn1c(Cn2ccnc2)nnc1C1CCN(c2ccnc(N)n2)CC1 96137434 QXRQAGLKJTYEAE-UHFFFAOYSA-N 353.434 1.299 0 50 FDAA CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(c1cccc(C(F)(F)F)n1)C2 91364985 KSZWKGAMKUVGCU-NWDGAFQWSA-N 370.375 1.616 0 50 FDAA COc1ccc([C@@H]2CN(C(=O)c3cnc(C)nc3C)C[C@H]2NC(C)=O)cc1 92081607 FICWZBXURKWOHI-RBUKOAKNSA-N 368.437 1.846 0 50 FDAA O=C1CC[C@@H](C(=O)N(Cc2cnn(-c3ccccc3)c2)C2CC2)NC(=O)N1 97514999 RDJCIKQKYWENLA-INIZCTEOSA-N 367.409 1.352 0 50 FDAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1[nH]nc3c1CN(C)CC3)C2 95369604 WUMQWWYXPMZUDS-LSDHHAIUSA-N 371.485 1.427 0 50 FDAA CN(C)C1=NC2(CCN(C(=O)Nc3ccc4cnoc4c3)CC2)C(=O)N1 96165277 XJXRSYFQDLQNLW-UHFFFAOYSA-N 356.386 1.242 0 50 FDAA O=C1N(CCO)CCC[C@@]12CCN(Cc1cccc(N3CCOCC3)c1)C2 91562942 JEWBOGRYKXXCBL-NRFANRHFSA-N 373.497 1.330 0 50 FDAA O=C1CC[C@@H](C(=O)N(CCc2ccccc2)Cc2ccccn2)NC(=O)N1 97425476 IKDVWHBQZQSRKN-KRWDZBQOSA-N 366.421 1.641 0 50 FDAA Cc1ccnn1CCC(=O)N1CCC2(CCC(=O)N(C[C@H](C)O)C2)CC1 91321408 HASGAWCPUIUCNX-INIZCTEOSA-N 362.474 1.194 0 50 FDAA O=C(c1ccc[nH]1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 91808496 QKIQIRWQMPMYGP-UHFFFAOYSA-N 353.426 1.664 0 50 FDAA Cc1cc(C(=O)N2CC(C)(C)N(C(=O)c3cc(C)nn3C)C[C@@H]2C)n(C)n1 297665167 FNQAEHXSGJKEJY-AWEZNQCLSA-N 372.473 1.536 0 50 FDAA CC[C@@H](C(=O)N1CCN(C2Cc3ccccc3C2)CC1)N1CCOCC1 244723663 MFHRRQWOSOGRBZ-FQEVSTJZSA-N 357.498 1.409 0 50 FDAA Cc1c(C(=O)N2CCO[C@@H](CC(=O)O)C2)nnn1-c1cccc(Cl)c1 299751491 QQYSODGVAKRJSZ-ZDUSSCGKSA-N 364.789 1.545 0 50 FDAA Cc1c(NC(=O)CN2CC[C@]3(CC(=O)c4ccccc4O3)C2)cnn1C 252501272 UCYZSILXVIRLTC-IBGZPJMESA-N 354.410 1.777 0 50 FDAA CCN(CC)S(=O)(=O)CC(=O)N1CCN(C2CC2)c2c(C)cccc21 184734240 UKTIQJXZBUCUME-UHFFFAOYSA-N 365.499 1.982 0 50 FDAA C[C@@H](NC(=O)N1CCS(=O)(=O)CC1)c1cnn(-c2ccccc2F)c1 534651811 CFCGUBCMXGYCSM-GFCCVEGCSA-N 366.418 1.512 0 50 FDAA COC(=O)c1cc(-c2ccc(C(=O)N3CCC[C@H]3C(N)=O)cc2)cn1C 534640187 FEWJDBHIMRJXSR-HNNXBMFYSA-N 355.394 1.569 0 50 FDAA CCCC[C@@H](NC(=O)N1CCN(c2ncc[nH]c2=O)CC1)c1cccnc1 534592233 WVDHBMMFKSBHQD-MRXNPFEDSA-N 370.457 1.928 0 50 FDAA COc1cc(OC)cc(C(=O)N2CCC(C(=O)NCc3ncc[nH]3)CC2)c1 265135024 SUNRYOUSEIPVMJ-UHFFFAOYSA-N 372.425 1.596 0 50 FDAA COC[C@@H](NC(=O)c1cccc(-c2nc(OC)n(C)n2)c1)c1ccnn1C 299791131 CVKLHLGJAAVAET-CQSZACIVSA-N 370.413 1.342 0 50 FDAA Cc1cnc(-c2cccc(C(=O)N[C@H]3CCC(=O)N(C)C3)c2)nc1N(C)C 299759498 SRNHBPSDHPVARM-INIZCTEOSA-N 367.453 1.869 0 50 FDAA Cc1n[nH]c(C)c1CC(=O)NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2 299791332 DBTFGMHWZRFQHF-UHFFFAOYSA-N 370.457 1.224 0 50 FDAA CN(C)C[C@@H]1COCCN(C(=O)CCCc2nc(-c3ccco3)no2)C1 299779178 KBAKGPNKBKXWRD-AWEZNQCLSA-N 362.430 1.689 0 50 FDAA O=C(NCCS(=O)(=O)N1CCCC1)N1CC[C@H](Oc2ccccc2)C1 584897370 UAZQPINHJDNDAG-INIZCTEOSA-N 367.471 1.275 0 50 FDAA O=C(O)c1csc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 268898954 AKFGPQNNDDMSQJ-GFCCVEGCSA-N 359.407 1.506 0 50 FDAA CN(C)CCN1C(=O)CC[C@@H]1CCNC(=O)N1CC(c2ccncc2)C1 584896952 SPXROJMILKWFMD-QGZVFWFLSA-N 359.474 1.133 0 50 FDAA CN1CCN(S(=O)(=O)NCC[C@@H](c2ccccc2)c2ccco2)CC1 670458631 AQBVHAWSMKZBNA-KRWDZBQOSA-N 363.483 1.883 0 50 FDAA Cc1[nH]nc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C23CCC3)c1C 1875408080 NVZLJNBEBPFULN-LJISPDSOSA-N 358.442 1.172 0 50 FDAA CN(C[C@@H]1CCCN1C(=O)c1csc(O)n1)c1cc2nncn2cn1 1875346960 FQPFQKKOWTWSHR-JTQLQIEISA-N 359.415 1.027 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2C(=O)c2ccc(O)cc2)C1 1875387217 URADNNHBJQJLLH-RDJZCZTQSA-N 356.422 1.991 0 50 FDAA C=CC(=O)N(C)c1ccc(C(=O)N2CC(=O)N(CC(F)(F)F)C2)cc1 1875373683 KNAIADZVQHBXNG-UHFFFAOYSA-N 355.316 1.640 0 50 FDAA C[C@H](O)[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2coc(C(F)F)n2)C[C@@H]1C 1875359728 NZSPUFNFFKIFMI-XWLWVQCSSA-N 357.357 1.302 0 50 FDAA COc1ccc(-c2cn(CC(=O)NC3CCN(C(C)C)CC3)nn2)nc1 1875327334 VQOBBAXTBYANKY-UHFFFAOYSA-N 358.446 1.338 0 50 FDAA C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)/C=C/CN(C)C 1875375711 MMBCNNHXYYCVDJ-NPUYYSGSSA-N 355.479 1.981 0 50 FDAA NC(=O)CN1CCC[C@H](C(=O)N2CCC[C@@H](Cc3ccc(F)cc3)C2)C1 952968680 DCPLXLNHSRWKQQ-IRXDYDNUSA-N 361.461 1.804 0 50 FDAA CCc1nc(C)c(CN[C@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)[nH]1 952965927 CPZHZIPNYPVMRA-LPBNZCGVSA-N 365.525 1.938 0 50 FDAA COc1cc(Cl)cc(CNCc2nc(O)n[nH]2)c1O[C@@H](C)C(=O)O 952972438 PFPKMDMGACCLQH-ZETCQYMHSA-N 356.766 1.314 0 50 FDAA Cc1cccc(CNC(=O)CN2CCC[C@](O)(Cc3nc(C)no3)C2)c1 886091788 VHIGFQHPSRRPMD-IBGZPJMESA-N 358.442 1.372 0 50 FDAA CO[C@@H]1CN(C(=O)CCc2nc3ccccc3[nH]2)C[C@H]1c1cn(C)nn1 886075104 BNAFKSBJEFMUHT-BLLLJJGKSA-N 354.414 1.265 0 50 FDAA Cc1nnc2ccc(NC[C@H]3CCC(=O)N(C)[C@@H]3c3cnn(C)c3)nn12 888102977 XSJYKLFLFLGDJC-PXAZEXFGSA-N 354.418 1.188 0 50 FDAA CN(CC(N)=O)C[C@@H]1CN(C(=O)C[C@@H]2CCCc3ccccc32)CCO1 276339503 HBNORBBATCMXJE-DLBZAZTESA-N 359.470 1.141 0 50 FDAA 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CC(C)Cc1ccc(CN2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)s1 1529191216 UWSPAUBWSUDXLL-XJKSGUPXSA-N 360.545 1.631 0 50 FDAA O=C(c1ccnc(NCCCN2CCCC[C@H]2CO)c1)N1CCOCC1 1529160001 ZDTJDPGBSYVFGY-KRWDZBQOSA-N 362.474 1.203 0 50 FDAA CN1C(=O)[C@H]2COC[C@@H]1CN(C(=O)CCCc1c[nH]c3ccccc13)C2 1704315891 QEXAHBJFMGHVHB-CVEARBPZSA-N 355.438 1.806 0 50 FDAA Cc1cccc(-c2noc(CCC(=O)N3CC[C@@H](O)[C@@H](C(=O)O)C3)n2)c1 1704298546 HQNLBGHTCPPCCR-UONOGXRCSA-N 359.382 1.272 0 50 FDAA CN1C(=O)C[C@@H](C(=O)N2CCN(C)C3(CCOCC3)C2)c2ccccc21 1775978309 RDQPVDXOZPUWIR-MRXNPFEDSA-N 357.454 1.460 0 50 FDAA Cc1nc(CN2C[C@H]3CN(C(=O)Cc4cccnc4)C[C@@]3(CO)C2)cs1 1772703229 HHHSPCOZBATFTK-QFBILLFUSA-N 372.494 1.342 0 50 FDAA O=C(N1CCCN(C[C@H]2COCCO2)CC1)C1(c2ccccc2F)CC1 1772806957 MSNPFKPWUFLACO-INIZCTEOSA-N 362.445 1.807 0 50 FDAA Cc1c(CN2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cnn1C 11934841 VQWPVPVNILEGFV-MRXNPFEDSA-N 359.518 1.684 0 50 FDAA CCS(=O)(=O)N1CCN(C[C@@]2(c3cccc(F)c3)CCOC2)CC1 19742784 XNVOUHDYYKWMFS-KRWDZBQOSA-N 356.463 1.451 0 50 FDAA CC(C)(C)c1nc(O)c2c(n1)[C@]1(CCCN(C(=O)c3cnn[nH]3)C1)CC2 1857701572 ODGDECJRNZCHCO-GOSISDBHSA-N 356.430 1.718 0 50 FDAA CN(C)C[C@H]1[C@H]2CN(S(=O)(=O)Cc3ccc(F)cc3)C[C@]23CC[C@H]1O3 1857732547 VSNXLMJDTBOXAL-BSDSXHPESA-N 368.474 1.697 0 50 FDAA COc1ccc(CCNC(=O)[C@@]2(O)CCCN(C(C)=O)C2)c(Cl)c1 330585170 WQPUDZUNXAMYBN-QGZVFWFLSA-N 354.834 1.381 0 50 FDAA Cc1csc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2CC(C)(C)C)n1 12711871 JHLSKPVFWDTXFP-CYBMUJFWSA-N 352.504 1.647 0 50 FDAA Cn1cc([C@@H]2C[S@](=O)CCN2CC(=O)Nc2ccc(Cl)cn2)cn1 252536467 IQTDSPDOSXUQRB-RKNYENMMSA-N 367.862 1.213 0 50 FDAA COc1ccc2c(c1)c(C(=O)N1C[C@H]3COC[C@@H]1CN(C)C3)c(C)n2C 1704309559 XJKPFPFREOJSHH-GJZGRUSLSA-N 357.454 1.898 0 50 FDAA C=CC(=O)Nc1ccc(O)c(C(=O)N2CCC(Cn3cncn3)CC2)c1 1467332017 NQXXEPKOQQKSTM-UHFFFAOYSA-N 355.398 1.661 0 50 FDAA Cn1c(=O)c2c(ncn2CC(=O)Nc2cccc3ccccc23)n(C)c1=O 781522 ONONSKTWUDUOGR-UHFFFAOYSA-N 363.377 1.226 0 50 FDAA biogenic CC(C)(O)c1nnc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)s1 2325727203 QBOQMHSQVGSRLB-UHFFFAOYSA-N 367.475 1.632 0 50 FDAA CCn1c(C)nn(CC(=O)Nc2ccc(-n3cnc(C)c3C)cc2)c1=O 2325773523 ONOANAWSMHCMSQ-UHFFFAOYSA-N 354.414 1.814 0 50 FDAA C[C@H](N)Cn1cc(CNC(=O)c2ccc(Nc3ccn(C)n3)cc2)nn1 2325860701 QBVZHXXFKIVAOH-LBPRGKRZSA-N 354.418 1.032 0 50 FDAA Cc1cc2[nH]cc(C(=O)N3CCC[C@@]4(CCc5c[nH]nc54)C3)c(=O)n2n1 2356153386 DTTXYABVUUMBQQ-GOSISDBHSA-N 352.398 1.174 0 50 FDAA COc1ccc2c(c1)CCOC21CCN(CC(=O)N2CCOCC2)CC1 2356154635 CWJIKCQRWXVXTD-UHFFFAOYSA-N 360.454 1.418 0 50 FDAA O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)[C@H]1COc2ccccc2O1 4185200 WNGLGUVSEILKBU-GOSISDBHSA-N 368.389 1.938 0 50 FDAA O=C(c1cnc2sccn2c1=O)N1CCN(c2ccccc2F)CC1 6756815 RAFZNHDUFYMHBQ-UHFFFAOYSA-N 358.398 1.858 0 50 FDAA CN(C)C[C@H]1[C@@H]2CN(S(=O)(=O)c3c(Cl)nc4sccn34)C[C@H]12 102718183 KYEJTKHHMYBAOG-OWUUHHOZSA-N 360.892 1.477 0 50 FDAA NS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)s1 247706520 FJCRQWYFNLLORT-RMTQGBGSSA-N 354.497 1.879 0 50 FDAA Cc1ccc(CN2CCN(Cc3c(CO)cnc(C)c3O)CC2=O)cc1 67513895 JDIVKOTYTRLORE-UHFFFAOYSA-N 355.438 1.741 0 50 FDAA Cc1ccc(C2(O)CCN(c3cncc(C(=O)N4CCCC4)n3)CC2)nc1 67723315 KWGHPYVZBLNEFG-UHFFFAOYSA-N 367.453 1.904 0 50 FDAA CCOC(=O)N1CCN([C@@H]2CCCN(Cc3cccc4nonc34)C2)CC1 23375276 XDDIPPVIJMSRIZ-MRXNPFEDSA-N 373.457 1.961 0 50 FDAA O=C(c1ccc(N[C@H]2CCCOC2)nc1)N1CCC(N2CCOCC2)CC1 67821339 IXZSEVLRTXGBOQ-KRWDZBQOSA-N 374.485 1.609 0 50 FDAA CC(C)n1c(CN2CCN(c3cc(=O)[nH]c(N)n3)CC2)nc2ccccc21 65459632 CNGQCZMUWOOMSD-UHFFFAOYSA-N 367.457 1.605 0 50 FDAA O=C1NCCN2CCN(C(=O)c3ccccc3-c3ccccc3F)C[C@@H]12 65396453 XFZVWPSZEFJOCU-SFHVURJKSA-N 353.397 1.749 0 50 FDAA CC(C)c1nnc([C@@H]2COCCN2C(=O)CCOC[C@@H]2CCCO2)o1 328613811 UFCIAKQTWYQYJU-KBPBESRZSA-N 353.419 1.679 0 50 FDAA Cc1nc(C(=O)N2CCO[C@@H](c3ccccc3F)C2)nn1-c1nc[nH]n1 328879952 KKPRKMGZJZZQRQ-CYBMUJFWSA-N 357.349 1.047 0 50 FDAA COc1ccccc1N1CC[C@H](NC(=O)Cn2c(C)cc(O)cc2=O)C1 151630500 CTXRUMCGCBYVPZ-AWEZNQCLSA-N 357.410 1.266 0 50 FDAA O=C1CCC[C@@H]1[C@H]1COCCN1S(=O)(=O)c1cccc2cnccc12 329459026 ORBXNXJUSGOGNU-HZPDHXFCSA-N 360.435 1.994 0 50 FDAA Cc1nc([C@H](C)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)no1 329849125 PWVUCOYFQUIQSD-YOEHRIQHSA-N 355.442 1.862 0 50 FDAA CN(C)c1nc(N(C)C)n(S(=O)(=O)c2ccc(Br)cc2)n1 3104975 DPBDAHAVZLWJDU-UHFFFAOYSA-N 374.264 1.410 0 50 FDAA Cc1cc(N2CCN(C(=O)c3ccc(-n4cnnn4)cc3)CC2)cc(C)n1 77391965 HNUQNXCLSJMDMP-UHFFFAOYSA-N 363.425 1.637 0 50 FDAA CC1(C)S[C@@H]2[C@H](NC(=O)c3c(F)cccc3F)C(=O)N2[C@@H]1C(=O)O 6393399 NPJMCPOOMPMAMR-GIPNMCIBSA-N 356.350 1.210 0 50 FDAA O=C(NCCN1CCCC1)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 39531894 XQUWGENANCWNTC-KRWDZBQOSA-N 361.461 1.819 0 50 FDAA COc1cccc2c1CC[C@@H]2NC(=O)c1csc(S(N)(=O)=O)c1 153665317 LFOBVPBERNNEON-LBPRGKRZSA-N 352.437 1.821 0 50 FDAA COc1ccc(N[C@H]2CCCN(C(=O)Cc3cnc(C)[nH]c3=O)C2)cc1 72161468 SUCZYPKGPMTRDV-INIZCTEOSA-N 356.426 1.733 0 50 FDAA CCN(C)Cc1cc2n(n1)CCCN(C(=O)c1cnc3c(c1)nnn3C)C2 72408561 UXKCKHLADDXOMD-UHFFFAOYSA-N 368.445 1.058 0 50 FDAA NC[C@H]1CCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O 238033588 UUCBRSBYGSIFNA-ZIAGYGMSSA-N 364.833 1.495 0 50 FDAA CCNC(=O)CN1CCN(Cc2ccc3cc(OCC)ccc3n2)CC1 72150142 MBTOGGQVWOZLLL-UHFFFAOYSA-N 356.470 1.887 0 50 FDAA CCN(Cc1nc(C(C)C)no1)C(=O)c1ccc(S(N)(=O)=O)cc1 215249674 HHMNURVLYAKCDJ-UHFFFAOYSA-N 352.416 1.503 0 50 FDAA CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCN(Cc2cc(C)no2)CC1 372554480 VXRWUBVYEWENCX-IBGZPJMESA-N 368.437 1.605 0 50 FDAA CCn1nc2c(cc1=O)CN(C(=O)N[C@@H](C)c1c(F)cncc1F)CC2 377074297 WOTOHLGVPMJBQY-JTQLQIEISA-N 363.368 1.765 0 50 FDAA Cc1ccc([C@@H]2CN(C(=O)c3cnc[nH]c3=O)C[C@H]2NC(=O)C2CC2)cc1 77387800 VFWFXVQYIVOQLN-DLBZAZTESA-N 366.421 1.213 0 50 FDAA CC1(C)NC(=O)N(CCCN2CCO[C@]3(CCc4ccccc43)C2)C1=O 158842976 OXZHLMQZOUJBAU-HXUWFJFHSA-N 357.454 1.881 0 50 FDAA O=C(c1ccc(C(F)(F)F)nc1O)N1CCC(CN2CCOCC2)CC1 77379144 ITXJOCYKXDCYLG-UHFFFAOYSA-N 373.375 1.990 0 50 FDAA NC[C@@H]1CCN(C(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)C1 378188575 SHGCOEYCFLNQJD-QITLCBANSA-N 363.458 1.524 0 50 FDAA COC(=O)CCn1cc(CN(C)Cc2nc3ccccc3c(=O)[nH]2)cn1 72149561 XRGIKKHZKQIXNA-UHFFFAOYSA-N 355.398 1.315 0 50 FDAA O=C(C[C@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1)NCC1CC1 72153040 BQIRVQBNFPMUKS-HNNXBMFYSA-N 369.387 1.922 0 50 FDAA CCN1CCN(C2(C(=O)NCC[C@H]3CCCN3)Cc3ccccc3C2)CC1 72126685 KIPIVCNOJZHJOI-HXUWFJFHSA-N 370.541 1.420 0 50 FDAA Cn1c(=O)c(=O)n(CC(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc21 41107881 SNFLOEWDENEVFV-UHFFFAOYSA-N 367.449 1.641 0 50 FDAA O=C(CCCc1cn[nH]c1)N[C@@H]1CCOC[C@H]1OCc1cscn1 222588760 BGUUQMPJOLPUTB-HUUCEWRRSA-N 350.444 1.679 0 50 FDAA O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@H]1CCCN2CCCC[C@H]12 225407226 ICTWSXFMLFGJKR-RHSMWYFYSA-N 370.453 1.071 0 50 FDAA biogenic COc1cc(OC)nc(N2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)n1 82134535 ZOQYEYPUJPUAJY-GOSISDBHSA-N 364.446 1.085 0 50 FDAA NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCO1 17074537 VHTWKYFZESMKIP-LLVKDONJSA-N 362.411 1.430 0 50 FDAA Cc1cc(C)n(Cc2cccc(C(=O)N3CCN([C@H]4CCNC4)CC3)c2)n1 289115685 DAMAFBMANFCHAA-FQEVSTJZSA-N 367.497 1.668 0 50 FDAA CC(C)Oc1cc(N[C@H]2C[C@@H](c3nnc(CN(C)C)n3C)C2)nc(N)n1 220211937 WBNDKLZVOVHDCD-HAQNSBGRSA-N 360.466 1.394 0 50 FDAA Cc1nc(CCNC(=O)COc2cccc(-n3cnnn3)c2)sc1C 223515948 LJIFNIPTTTVSCR-UHFFFAOYSA-N 358.427 1.473 0 50 FDAA CC(C)N1CCNC(=O)[C@H]1CC(=O)N(C)Cc1cc(-c2ccncc2)no1 220303816 OZHSTSKOLRAIDF-QGZVFWFLSA-N 371.441 1.294 0 50 FDAA Cc1cc(N2CCC(N3CC[C@](O)(CO)C3)CC2)nc(-c2ccccc2)n1 96163360 CYGLNGATHVHWSC-OAQYLSRUSA-N 368.481 1.850 0 50 FDAA COc1cc(C(=O)N2CCOC[C@@H]2C(=O)O)cc(OC)c1Br 268995063 VFVIXMJLNDYJOX-SECBINFHSA-N 374.187 1.392 0 50 FDAA CN(C)C(=O)NCC(=O)N1CC[C@]2(CCCN(C3CCCC3)C2=O)C1 91416494 OLYKIPOAKCJTRZ-GOSISDBHSA-N 350.463 1.041 0 50 FDAA Cn1c(SCC(=O)NCc2ccccc2F)nnc1[C@@H]1CCCNC1 426399116 YPAWIGPPFNOUPY-CYBMUJFWSA-N 363.462 1.830 0 50 FDAA CC(C)c1ncc(C(=O)N2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)cn1 95372145 GPYHAJQTIVDPKF-ZDUSSCGKSA-N 360.414 1.138 0 50 FDAA C[C@@H](Cn1cccn1)NC(=O)N1CCC(C(=O)NCc2ccco2)CC1 426658197 ISFVCHSSGWDOBU-AWEZNQCLSA-N 359.430 1.603 0 50 FDAA Cc1c[nH]c(C(=O)N2CCC[C@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)n1 91441541 KHDAMRFUAIZXBS-LJQANCHMSA-N 370.457 1.529 0 50 FDAA O=C(Cc1ccc(Cl)cc1)N1C[C@H](CO)[C@H](CN2CCOCC2)C1 92002936 RZRBKKYVCTZHJX-HZPDHXFCSA-N 352.862 1.282 0 50 FDAA CN(C)S(=O)(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 95360161 CDOVAZOBHFYHJF-GVDBMIGSSA-N 371.453 1.633 0 50 FDAA O=Cc1ccc(OC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 239433077 XENKFEDUQGMBJG-RIMFYDMWSA-N 351.358 1.458 0 50 FDAA Cc1cc(C)n2nc(C(=O)N3CCO[C@@H](Cc4ccccc4)C3)nc2n1 181208734 JFJISVNAHVLTPT-INIZCTEOSA-N 351.410 1.825 0 50 FDAA Cc1nn(C)c(C(=O)N2C[C@H](CO)[C@H](CN3CCCCC3)C2)c1Cl 91325450 MHUSRJCJMQJEOC-ZIAGYGMSSA-N 354.882 1.548 0 50 FDAA Cc1nccn1CCC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccn1)C2 91380931 FOQNNQDNVUSHOD-DLBZAZTESA-N 367.453 1.740 0 50 FDAA COc1cccc(CCC(=O)N2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)c1 95373329 HEFGFFDAEOFUEP-INIZCTEOSA-N 374.437 1.552 0 50 FDAA O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)NCc1ccccc1 239403289 RSCGGEJUXVCNAR-IJPPCXMXSA-N 350.418 1.746 0 50 FDAA Cc1nn(C)c(C)c1CN(C)C(=O)[C@@H]1CC(=O)N(Cc2cccnc2)C1 95389535 RVRUSYXYQJTLCA-MRXNPFEDSA-N 355.442 1.439 0 50 FDAA CNS(=O)(=O)CCN1C[C@](C)(Cc2ccc3c(c2)OCO3)CCC1=O 91364785 NUBIHQZFULPUKN-KRWDZBQOSA-N 368.455 1.136 0 50 FDAA Cc1ccc(N(CC(=O)N[C@@H](C)c2nnc(N)s2)S(C)(=O)=O)cc1 243893618 ASTWYFNCNGZHAE-JTQLQIEISA-N 369.472 1.072 0 50 FDAA COC(=O)[C@@]12[C@H]3[C@@H]4CC[C@@H]5OC(=O)[C@@]16[C@H]1[C@@H]7CCC(=O)[C@H]7[C@H]2[C@H]1[C@H]3[C@H]6[C@@H]54 247841308 OBSYNFQRTLYMIV-NSPZFNFJSA-N 354.402 1.444 0 50 FDAA CC[C@H](C)NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 299238432 WBAYOMPFTFLPME-RDJZCZTQSA-N 359.470 1.641 0 50 FDAA Cc1nc(C(C)(C)NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)no1 299698818 YVNOKJQESHDOHR-UHFFFAOYSA-N 352.416 1.723 0 50 FDAA Cc1c(F)cccc1C(=O)N1CCCN(S(=O)(=O)N2CCCC2)CC1 299779431 NSTYJDSAXMMRSI-UHFFFAOYSA-N 369.462 1.623 0 50 FDAA O=C(c1ccc2cc[nH]c2c1)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 299797247 QFJOLPORFTWXKK-WQDJSCAQSA-N 356.422 1.796 0 50 FDAA Cc1cc(C(=O)N[C@@H]2CCN(c3nc4ccccc4s3)C[C@H]2O)no1 299792620 GLVGMXNMRRHGGT-BXUZGUMPSA-N 358.423 1.962 0 50 FDAA COCC(=O)Nc1ccc(NC(=O)CCN2CCCC2=O)cc1Cl 824312884 CABWNIWQBULWNY-UHFFFAOYSA-N 353.806 1.876 0 50 FDAA COc1cc(F)ccc1CN1CCN(S(=O)(=O)N2CCCC2)CC1 670455944 BOBXZOKKLSZDQC-UHFFFAOYSA-N 357.451 1.293 0 50 FDAA CCc1ocnc1C(=O)N1CC[C@@H](c2cc(O)nc(N3CCCC3)n2)C1 864856125 GPCFJMPLXLONMW-GFCCVEGCSA-N 357.414 1.963 0 50 FDAA COc1cccc(CN2CCC[C@@H](O)CC2)c1OCCN1CCOCC1 670453876 KBQXUGKQNOQKSP-GOSISDBHSA-N 364.486 1.753 0 50 FDAA C=CC(=O)N(C)c1ccc(C(=O)N2CC3(CCOCC3)C[C@H]2CO)cc1 1875373692 KVVQLVORPCDWBR-KRWDZBQOSA-N 358.438 1.839 0 50 FDAA CNC(=O)C[C@@H]1CN(C(=O)c2cccc(Cc3ccccn3)c2)C[C@H]1O 1875403887 IZYRJRHDDNLEIE-SJLPKXTDSA-N 353.422 1.241 0 50 FDAA CO[C@@H]1C[C@@H](COc2cccnc2)N(Cc2ccc(C(=O)N(C)C)[nH]2)C1 952887794 ACMTYXLOGHQPAJ-DOTOQJQBSA-N 358.442 1.780 0 50 FDAA CCc1c(C(=O)N2CCN(Cc3cccnc3)C[C@H]2C)[nH]c(C)c1C(N)=O 952845735 NPDUCDZSYUYATC-CYBMUJFWSA-N 369.469 1.726 0 50 FDAA CN1C(=O)CC[C@H](C(=O)Nc2ccc(C3CC3)nn2)[C@H]1c1ccnn1C 886074690 OJOAWNXJBRRHIQ-SJCJKPOMSA-N 354.414 1.636 0 50 FDAA CN1CCC[C@H]1c1cc(C(=O)N2CCN(c3ccccc3O)CC2)n[nH]1 895481915 SDLGOPLOMYOSRE-INIZCTEOSA-N 355.442 1.844 0 50 FDAA O[C@H]1CCCN(C2CCN(Cc3cccc(CN4CCOCC4)c3)CC2)C1 72418000 LAWXROMCYSFISS-QFIPXVFZSA-N 373.541 1.940 0 50 FDAA CC(C)c1ocnc1C(=O)N[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1O 1565510547 WCQRNDKCUYPNMZ-GJZGRUSLSA-N 357.410 1.803 0 50 FDAA O=C(O)CO[C@H]1COCC[C@@H]1NC(=O)c1ccc(N2CCCCC2)cc1 1565506710 HBHJMOHFKLQJEK-IRXDYDNUSA-N 362.426 1.665 0 50 FDAA Cc1ccc(-c2nc(CN3CC[C@H](Nc4ncccn4)[C@@H](O)C3)no2)cc1 1565531110 NELLHPNZXOLFHJ-HOTGVXAUSA-N 366.425 1.882 0 50 FDAA NC(=O)c1ccc(O[C@H]2CCOC[C@@H]2NC(=O)Cc2ccncc2)cc1 1565513059 DFKNEHQFPZUTFH-IRXDYDNUSA-N 355.394 1.076 0 50 FDAA COc1ccc2c(c1)OC[C@@]1(C(=O)O)CN(C(=O)Cc3cc(C)no3)C[C@@H]21 1565507715 JRNLFCXPAKBHNI-KXBFYZLASA-N 372.377 1.624 0 50 FDAA CS(=O)(=O)N[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)CCC2 170596392 GGGXYQWJWNVGRM-HOTGVXAUSA-N 372.512 1.314 0 50 FDAA O=C(Cn1ccc(=O)[nH]c1=O)NCCc1nc(C2CCCCC2)cs1 110028606 MELANJQYKKJJBI-UHFFFAOYSA-N 362.455 1.400 0 50 FDAA Cn1c(=O)sc2cc(CNC[C@H]3CCCN3S(C)(=O)=O)ccc21 192634908 UNMYLESDULXOGQ-GFCCVEGCSA-N 355.485 1.114 0 50 FDAA CCC1(CC)NC(=O)N(CC(=O)N[C@@H](C)[C@H](O)c2ccc(F)cc2)C1=O 771686201 PMHLPLRSLOPCRQ-NHYWBVRUSA-N 365.405 1.474 0 50 FDAA COc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H](C)c1nncn1C(C)C 1506397765 CMMNCRCGOKYLAV-SNVBAGLBSA-N 368.415 1.605 0 50 FDAA Cc1c(-c2ccccc2)nn(C)c1NC(=O)[C@@H]1CCCN(CC(N)=O)C1 1529141520 NCNGXHBHONCJLS-OAHLLOKOSA-N 355.442 1.531 0 50 FDAA O=C1CCOC2(CCN(Cc3cccc(Cn4cccn4)c3)CC2)CN1 1704314013 VSAYOFRKFNQGSR-UHFFFAOYSA-N 354.454 1.803 0 50 FDAA Cc1nc(O)cc(CN2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)n1 1704313338 LOHLJBDADIYGSU-IBGZPJMESA-N 354.458 1.827 0 50 FDAA NCC1CCN(S(=O)(=O)c2cc(Br)ccc2F)CC1 238036550 WOGJRCLULVWYBG-UHFFFAOYSA-N 351.241 1.948 0 50 FDAA O=C1C[C@H](C(=O)N2CCCN(CCCOCc3ccccc3)CC2)CN1 1772805533 OBTPBMQRRTYCGO-SFHVURJKSA-N 359.470 1.264 0 50 FDAA O=C(c1nnc2n1CCCC2)N1C[C@@H]2CNC[C@@]2(CCc2ccccc2)C1 1772707024 IZCDDDPSKUEEMP-UWJYYQICSA-N 365.481 1.909 0 50 FDAA CSCC(=O)N[C@]1(C)CCOC2(CCN(Cc3ccoc3)CC2)[C@H]1O 1772702631 XCGXLSGSJNEHHE-DLBZAZTESA-N 368.499 1.633 0 50 FDAA CC1CCN(Cc2nnnn2CC(=O)NCCc2cccc(F)c2)CC1 11813958 MJYBXBRJYXRCSP-UHFFFAOYSA-N 360.437 1.403 0 50 FDAA COc1cccc(CN2C[C@H](C(=O)N(C)Cc3cnccn3)CCC2=O)c1 12432445 JRVNEPNWIXEKPY-MRXNPFEDSA-N 368.437 1.882 0 50 FDAA Cc1c(CNC(=O)[C@H]2CCC(=O)N(CCc3ccccc3)C2)cnn1C 12702702 ZWJOGRVQVQDUFB-KRWDZBQOSA-N 354.454 1.826 0 50 FDAA Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 13129998 ZRVUJXDFFKFLMG-UHFFFAOYSA-N 351.409 1.951 0 50 FDAA biogenic,fda CCN1C(=O)N(CCN(C)C)C(=O)C12CCN([C@H](C)CSC)CC2 14749197 BCPVBXDBSJYFBS-CQSZACIVSA-N 356.536 1.418 0 50 FDAA COc1cccc(CN2CCc3nnc([C@H](C)NC(=O)C4CC4)n3CC2)c1 14885727 GAQDNZKVEHNHDJ-AWEZNQCLSA-N 369.469 1.932 0 50 FDAA O=C(N[C@@H](O)C(Cl)(Cl)Cl)N[C@H](O)C(Cl)(Cl)Cl 18271950 PPJXIHLNYDVTDI-XIXRPRMCSA-N 354.832 1.663 0 50 FDAA endogenous,in-man Cc1nsnc1C(=O)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857681430 DWLHYLNSPRVHGN-KRWDZBQOSA-N 358.423 1.736 0 50 FDAA Cc1nc(O)c2c(n1)[C@]1(CCCN(c3nnnn3-c3ccccc3)C1)CC2 1857691783 XRUBBMSWGVAKPK-LJQANCHMSA-N 363.425 1.951 0 50 FDAA COc1nc2ccccc2nc1CCC(=O)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857700286 QKZRWCBMUPSNTD-JEBQAFNWSA-N 371.437 1.569 0 50 FDAA O=C(NC[C@H]1[C@H]2CN(c3ncc(F)cn3)C[C@]23CC[C@H]1O3)c1ccncc1 1857714996 WMQISHOKRZINOT-WFXMFSGNSA-N 369.400 1.425 0 50 FDAA OC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(Cc1nc3ncccc3o1)C[C@@H]2O 1857738846 BDGJTPXKYIUYQG-IHMNZUQTSA-N 351.406 1.792 0 50 FDAA CC(=O)N1CCCc2cc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)ccc21 323846657 BFPCOTCPJFQNCY-OAHLLOKOSA-N 354.428 1.373 0 50 FDAA NC(=O)c1ccc(C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cn1 125297437 AWVLUCVMWJABGU-UHFFFAOYSA-N 358.442 1.482 0 50 FDAA O=C(c1cccc(F)c1)N1C[C@@H]2CN(C(=O)C3CCC3)C[C@]2(C(=O)O)C1 247390091 LEAACKHAWKFSQI-LIRRHRJNSA-N 360.385 1.611 0 50 FDAA O=C(O)CNC(=O)CN1CCC(c2nc3cc(Cl)ccc3o2)CC1 262223698 LRZSUXZYLHBALD-UHFFFAOYSA-N 351.790 1.861 0 50 FDAA CCOC(=O)CSc1nnc(Cn2nnc(-c3ccccc3)n2)n1C 1051599 WNWIFQURABJIGF-UHFFFAOYSA-N 359.415 1.172 0 50 FDAA O=S(=O)(c1cccc2nsnc12)N1CCN(c2ccccn2)CC1 18194922 LSRBIQSSMFDVNO-UHFFFAOYSA-N 361.452 1.597 0 50 FDAA O=S(=O)(c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 633534 JUQZKAOPUODWFG-UHFFFAOYSA-N 366.464 1.382 0 50 FDAA Cc1nc2cc(N(CC(=O)N3CCOCC3)S(C)(=O)=O)ccc2s1 2356139924 MRLLBTXGMAZSMG-UHFFFAOYSA-N 369.468 1.230 0 50 FDAA CCC[C@@]1(C(=O)O)CN(C(=O)c2cc(C(F)(F)F)nn2C)CC[C@H]1O 2356155331 CKNMDRXUTYJUHT-BXUZGUMPSA-N 363.336 1.517 0 50 FDAA CC(C)NC(=O)Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21 2876111 HLKDZEPALJWRFT-UHFFFAOYSA-N 357.410 1.207 0 50 FDAA COC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 4488396 AHSMUCZJZFEOGA-CQSZACIVSA-N 354.472 1.547 0 50 FDAA Cc1cc2[nH]c(CN3CCC4(CC3)c3ccccc3C[C@H]4O)cc(=O)n2n1 102331185 NHIPLRJJTWGPLA-GOSISDBHSA-N 364.449 1.782 0 50 FDAA CN1CCC2(CC1)CN(C(=O)CC1=CSC3=NCCN13)CCCN2C 101976822 NJBAJZAEMYSFIT-UHFFFAOYSA-N 363.531 1.265 0 50 FDAA Nc1nc(CN2CCN(c3ccc(F)cc3)CC2)nc(N2CCCCC2)n1 54313802 VYZKMQVSSRQKOK-UHFFFAOYSA-N 371.464 1.905 0 50 FDAA CN(C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cc(C(=O)O)n(C)c2)C1 109118514 XJTBVKJPVMDTSY-CYBMUJFWSA-N 363.439 1.405 0 50 FDAA CCc1c(C(=O)N[C@H]2CCC(=O)NC2(C)C)nnn1Cc1ccccc1 421549676 ZVTHCKUVTIGGGW-HNNXBMFYSA-N 355.442 1.676 0 50 FDAA COc1cccc(CN2CCC(C(=O)NCCCN(C)C)CC2)c1OC 22241618 VVPOWOMLMWNWGC-UHFFFAOYSA-N 363.502 1.984 0 50 FDAA O=C(O)c1cn(C[C@H]2CCCN(c3nc(-c4ccccc4)no3)C2)nn1 67803164 YOAKJOUSOHHGIF-LBPRGKRZSA-N 354.370 1.943 0 50 FDAA CN(C)S(=O)(=O)N1CCC(C(=O)NCCCc2ccc(F)cc2)CC1 67604377 VOGNEMLOJXNCOK-UHFFFAOYSA-N 371.478 1.393 0 50 FDAA Cc1nc(CCNC[C@@]2(O)CCCN(CCC3CCCCC3)C2=O)no1 67587543 DIJUWHYAEWDWNK-IBGZPJMESA-N 364.490 1.834 0 50 FDAA CCN1Cc2ccccc2C[C@@H]1C(=O)N1CCn2nc(C(=O)OC)cc2C1 65423363 UASINEBKIHKISB-GOSISDBHSA-N 368.437 1.459 0 50 FDAA Cc1nc(N2CCO[C@]3(CNCCOC3)C2)nc2cc3c(cc12)CCC3 67654978 AKYCWQWPEJVIDM-HXUWFJFHSA-N 354.454 1.622 0 50 FDAA CN(CCn1cc(C(=O)N2CCSCC2)nn1)C(=O)c1cccs1 67867316 VVKFYCBXXQXUNG-UHFFFAOYSA-N 365.484 1.301 0 50 FDAA COc1cccc(CN2CCC[C@](O)(CNCCn3ccc(C)n3)C2=O)c1 67868559 NCAHWKCXVOAGFA-FQEVSTJZSA-N 372.469 1.343 0 50 FDAA O=C([C@H]1C[C@H]1c1ccc2c(c1)OCCO2)N1CCN(c2cnccn2)CC1 173058756 HCAUWMYXKQZDDK-HOTGVXAUSA-N 366.421 1.700 0 50 FDAA CCc1nc(C)cc(NCC[C@@H]2CN(c3cnn(C)c(=O)c3)CCO2)n1 65535913 MPXLYBYHKMSYMM-OAHLLOKOSA-N 358.446 1.149 0 50 FDAA COc1c(F)cc(C(=O)N2CC[C@@H]3OCc4cnnn4[C@@H]3C2)cc1F 1076047678 MDLZVSHKHBNNQI-KGLIPLIRSA-N 350.325 1.551 0 50 FDAA N[C@@H]1c2ccccc2C2(CCN(C(=O)c3cn4ccsc4n3)CC2)[C@H]1O 72173990 QTTCRTSAQNPZBT-CVEARBPZSA-N 368.462 1.944 0 50 FDAA Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCCN(C(=O)C2CCC2)C1 72476531 KRYHGCBQZOBJKH-HNNXBMFYSA-N 361.490 1.278 0 50 FDAA Cc1c[nH]c(C(=O)N2CCc3ncnc(NC[C@H]4CCCO4)c3CC2)c1 72476126 ZQGAKJBOBLMSHK-CQSZACIVSA-N 355.442 1.945 0 50 FDAA O=C1CSc2ccccc2N1CC(=O)N1CCC[C@H]1Cn1cncn1 369270357 YBMFGWDDQYYJFE-ZDUSSCGKSA-N 357.439 1.408 0 50 FDAA Cn1nnnc1CN1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 370395373 PNNCBDCUJNPYLD-KRWDZBQOSA-N 350.426 1.758 0 50 FDAA CN1C(=O)CC[C@@H](NCc2ccc(-c3ccn[nH]3)o2)[C@@H]1c1ccnn1C 284614752 RYDYGFNYZNQABW-RDTXWAMCSA-N 354.414 1.855 0 50 FDAA CCCc1cnc(C)nc1N1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)C1 77377963 ZZYRUAFKEWEGCX-NVXWUHKLSA-N 355.442 1.502 0 50 FDAA CCc1ccccc1-n1cc(O)c(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)n1 372710531 DBYYRLYQUFBZFY-PMUMKWKESA-N 368.437 1.866 0 50 FDAA CC(C)c1cc(N2CCN(c3ncccc3C(N)=O)CC2)n2nccc2n1 72148834 ODIDPRUIUPKQKW-UHFFFAOYSA-N 365.441 1.673 0 50 FDAA CNCCNC(=O)[C@@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 71775972 SIDXCMLWCRLCAL-HXUWFJFHSA-N 372.557 1.741 0 50 FDAA COCCn1cc(CN2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)cn1 377720745 SBWCVBZOBRMABK-IRXDYDNUSA-N 366.462 1.399 0 50 FDAA O=C(NC[C@@H]1CCCN1C1CCCCC1)N1CCN([C@@H]2CCNC2)CC1 333668095 XWOPBDBPBDKNHN-MOPGFXCFSA-N 363.550 1.473 0 50 FDAA COc1cccc(OC[C@H](O)CNC(=O)Cc2sc(C)nc2C)c1 216184199 XQWSUIGRIWLYLR-CYBMUJFWSA-N 350.440 1.867 0 50 FDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCn1nc2ccccn2c1=O 237970596 QTJCZLRWMNUGGK-IHRRRGAJSA-N 358.398 1.130 0 50 FDAA CN(Cc1ccccn1)Cc1c(C(=O)N2CCOCC2)nc2ccccn12 71771270 ZPBSXEZLJWCIRR-UHFFFAOYSA-N 365.437 1.834 0 50 FDAA CCn1c(N)nc2cc(C(=O)NCc3c(C)cc(C)nc3OC)cnc21 77439645 SMAPLMJHFLUCKJ-UHFFFAOYSA-N 354.414 1.984 0 50 FDAA COCc1nc(C2CC(N)C2)cc(N2CCN(Cc3ccccn3)CC2)n1 223071344 YLTCIMFCTXQTLY-UHFFFAOYSA-N 368.485 1.545 0 50 FDAA O=C(CN1CCN(c2ccccn2)CC1)Nc1nc2c(s1)COCC2 175967240 OXCJWWBOVNTDFD-UHFFFAOYSA-N 359.455 1.372 0 50 FDAA CCCCN1CCN(C(=O)c2cc(F)ccc2F)[C@H]2CS(=O)(=O)C[C@H]21 82087862 LWBXVYOEQNVPJJ-CVEARBPZSA-N 372.437 1.688 0 50 FDAA NC(=O)c1ccc(-c2nc3c([nH]2)CCN(c2nc(C(N)=O)cs2)C3)cc1 223073950 UGJNQKNKYIVVPS-UHFFFAOYSA-N 368.422 1.294 0 50 FDAA Cn1nc(C(=O)NC[C@H](c2ccccn2)N2CCOCC2)c2ccccc21 221224004 DBHSJXAXNRWOMS-GOSISDBHSA-N 365.437 1.772 0 50 FDAA O=C(N[C@@H]1CCN(Cc2cscn2)C[C@H]1O)c1cncc(Cl)c1 426490600 SDLQZEVWQPOWFP-ZIAGYGMSSA-N 352.847 1.557 0 50 FDAA Cc1ccc(-c2ccc(C(=O)N3CCCN(S(C)(=O)=O)CC3)cc2)nn1 426423686 PWVFUAFYXJCHAQ-UHFFFAOYSA-N 374.466 1.560 0 50 FDAA COc1cc(OC)c(C(=O)N2CCC3(CC2)[C@@H](OC)C[C@H]3O)cc1OC 91444761 LAQBTPUDRJXCTL-SJORKVTESA-N 365.426 1.714 0 50 FDAA COc1cc(C(=O)N2CC[C@]3(OC)CC[C@H](OCCO)C[C@H]23)ccc1F 426641319 FIIKUBZMGFVZLH-UCLAIMLFSA-N 367.417 1.995 0 50 FDAA Cc1cccc(NC(=O)CCC2CCN(C(=O)[C@H]3CNCCO3)CC2)c1 95525111 XUVPRNHJYBKKNH-GOSISDBHSA-N 359.470 1.941 0 50 FDAA CN(Cc1ccccc1-n1cccn1)C(=O)C[C@H]1C(=O)N(C)C(=O)N1C 91536806 ARFVUXPJYUQAND-HNNXBMFYSA-N 355.398 1.113 0 50 FDAA Cc1ccc(C)c(CCNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCOCC3)C2)c1 91756617 OKGZIRMFWALJKN-MOPGFXCFSA-N 373.497 1.047 0 50 FDAA Cc1nccn1CCN(C)S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 95372157 XMDUVTZEMUYJEV-UHFFFAOYSA-N 362.455 1.404 0 50 FDAA O=C(c1ccc(N2CCC[C@@H](c3cc(=O)[nH]cn3)C2)nc1)N1CCOCC1 23581913 XFDGHLDJCWWPDC-OAHLLOKOSA-N 369.425 1.021 0 50 FDAA Cc1ccc([C@H](C(=O)N2CC34CN(C)CC3(CN(C)C4)C2)N(C)C)cc1 91619844 JMHIBGDAIRKBJV-KMFTYDHNSA-N 356.514 1.304 0 50 FDAA COc1cccc(OC2CN(C(=O)c3cc(C(C)=O)c(C)[nH]c3=O)C2)c1 95390363 FMUMEXVNSQVKKP-UHFFFAOYSA-N 356.378 1.798 0 50 FDAA O=C([C@@H](c1cccnc1)N1CCCC1)N1CCN(c2cnccn2)CC1 95372056 IZFRRUWHEXQJPZ-GOSISDBHSA-N 352.442 1.357 0 50 FDAA COCCN1CCC[C@@]2(CCN(C(=O)c3nc4ccccn4c3F)C2)C1=O 91871831 IXRQNLMHJVOAPR-IBGZPJMESA-N 374.416 1.575 0 50 FDAA CN1CCC(Cc2noc(CCc3nc4ccccc4[nH]c3=O)n2)CC1 95358512 JQWASMQVQWYCJG-UHFFFAOYSA-N 353.426 1.976 0 50 FDAA O=C(C1CCCC1)N1CC[C@]2(O)CCN(Cc3ccc(CO)o3)C[C@@H]2C1 95392775 MRYAIPGWJNOUIX-OXQOHEQNSA-N 362.470 1.747 0 50 FDAA Cc1noc(C)c1C(=O)N1CCC(c2nnc(Cn3ccnc3)n2C)CC1 91707057 VVFWDYOADQJUFW-UHFFFAOYSA-N 369.429 1.685 0 50 FDAA O=C(N[C@H]1C[C@@H](c2nnc(CO)n2C2CC2)C1)c1cnc2c(c1)CCC2 243885875 ADBLMTHUQPWWNY-XBXGTLAGSA-N 353.426 1.665 0 50 FDAA Cn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)CCC(=O)c2ccc(F)cc2)C1 244691733 JIFOIZRSKVXDDS-XBXGTLAGSA-N 360.389 1.472 0 50 FDAA COc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3ccccn3)C[C@H]2O)c(C)c1 252491965 MAKAZKOPAZVCSH-SJLPKXTDSA-N 369.421 1.404 0 50 FDAA COc1cnc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)cc1O 253535615 JGMDUMQQBFVDLQ-KSMMKXTCSA-N 370.405 1.973 0 50 FDAA O=C1C[C@H](NC(=O)N2CCOCC2)CN1Cc1ccccc1C(F)(F)F 184124976 BWTRHXHZOPGWPA-ZDUSSCGKSA-N 371.359 1.848 0 50 FDAA Cc1ccc(-c2nn3ccn(Cc4nc(C)no4)c(=O)c3c2CO)cc1 263619457 YSUXCCCFIIDUGV-UHFFFAOYSA-N 351.366 1.703 0 50 FDAA Cc1nnsc1CN(C)CC(=O)Nc1nnc([C@H]2CCCO2)s1 299785050 QGJUOQFCNKWKGV-SECBINFHSA-N 354.461 1.620 0 50 FDAA Cc1cc(C(=O)N[C@@H]2CCN(Cc3ncc(C)c(O)c3C)C[C@H]2O)no1 299780246 UFXLPXCBQDYYQR-CZUORRHYSA-N 360.414 1.066 0 50 FDAA COCC(=O)Nc1ccc(Cl)c(NC(=O)NCCc2ncnn2C)c1 299801955 ZGHVYKAAKQJFQN-UHFFFAOYSA-N 366.809 1.418 0 50 FDAA CS(=O)(=O)N1CCC[C@H](CNC(=O)CCCC(=O)c2ccccc2)C1 299776921 IEQYMLRHPQZIFO-OAHLLOKOSA-N 366.483 1.827 0 50 FDAA CN(C)C(=O)CN1CC[C@@H](NC(=O)c2cc3ccccc3s2)[C@H](O)C1 299758656 LPXYMFZEVHQGOI-ZIAGYGMSSA-N 361.467 1.155 0 50 FDAA Cc1ccc2[nH]c(C(=O)N3CCC[C@H](c4nnc(CO)n4C)C3)nc2c1 299786562 VEUBUUSIPIEMHI-LBPRGKRZSA-N 354.414 1.512 0 50 FDAA C[C@@H]1CCCCN1C1CN(C(=O)c2nccnc2C(=O)N2CCCCC2)C1 299792595 HEMYBOXNYLHQQM-OAHLLOKOSA-N 371.485 1.802 0 50 FDAA CCCn1cnc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccccn2)n1 48121703 PHQWMMGOPPHCME-HNNXBMFYSA-N 352.402 1.986 0 50 FDAA Cn1ccc2ccc(CN3CCn4nc(CNS(C)(=O)=O)cc4C3)cc21 299789786 AISANEYGMCJIAU-UHFFFAOYSA-N 373.482 1.440 0 50 FDAA CCOc1ccc(CCCC(=O)N2CCN(C(C)=O)C[C@@H](O)C2)cc1C 299778228 PTRGKKQWPZTUFG-GOSISDBHSA-N 362.470 1.768 0 50 FDAA Cn1nc(-c2nc(-c3c[nH]c4ccccc34)nn2CC(C)(C)O)ccc1=O 825650677 YBYRXJMHDVMQLJ-UHFFFAOYSA-N 364.409 1.958 0 50 FDAA CN1CCc2cc3c(c(OCC(=O)NCc4ccccn4)c2C1=O)OCO3 828026958 STMGBMJXXQXGON-UHFFFAOYSA-N 369.377 1.134 0 50 FDAA biogenic COc1cccc2c1OC[C@@H](NC(=O)c1ccnc(-n3cnnc3)c1)C2 824805007 XUYNXEBHJUWGQX-AWEZNQCLSA-N 351.366 1.404 0 50 FDAA COc1ccc(S(=O)(=O)NCCN2CCC[C@H](CO)C2)cc1C(C)C 670444583 QWLYCZSAEREZOW-HNNXBMFYSA-N 370.515 1.801 0 50 FDAA CC(C)(C)[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1nc(=O)o[nH]1 1452152222 QOXDUVRINWBJEK-CABCVRRESA-N 373.457 1.874 0 50 FDAA CC(=O)N[C@@H](CC(=O)N1CC2(CCC[C@H]2N)C1)c1ccc(F)cc1F 1875319653 MLTATCVUAINOIH-JKSUJKDBSA-N 351.397 1.872 0 50 FDAA C=CC(=O)N(C)c1ccc(C(=O)N(C)[C@H]2CCCS(=O)(=O)C2)cc1 1875381323 QXVBNCGXBBUYAT-HNNXBMFYSA-N 350.440 1.485 0 50 FDAA O=C(O)C[C@@H](NC(=O)CCCCCn1cc(CO)nn1)C1CCCC1 1875354078 QGOMKMAFXJOPGJ-OAHLLOKOSA-N 352.435 1.481 0 50 FDAA O=C(Cn1ncnn1)N1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(Cc1ccsc1)C3 1875407073 SFKZFKHTIFVLSS-VGWMRTNUSA-N 358.471 1.104 0 50 FDAA CCn1nnc(C(=O)N(C)C2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@H]2C)c1C 1875406421 DCSQUHOXLPJLJH-BPZLCUCMSA-N 359.474 1.856 0 50 FDAA C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N1CC(F)(F)C[C@H]1C(=O)O 1875271033 UDDOFTJTVBNGFR-HOVLTTNMSA-N 352.337 1.525 0 50 FDAA CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(NC(=O)CN(C)C)c(C)c2)C1 952990747 XZASTUKHABDVKN-OAHLLOKOSA-N 360.458 1.692 0 50 FDAA O=C([C@@H]1COc2ccccc2O1)N1CCc2nc[nH]c2C12CCNCC2 888095752 FLJQGQHLWPJNAR-INIZCTEOSA-N 354.410 1.213 0 50 FDAA COc1ncccc1C(=O)N[C@H]1COCC[C@@H]1Oc1ccc(C(N)=O)cc1 1565529676 WEUBCGHFRGUKQZ-HOTGVXAUSA-N 371.393 1.155 0 50 FDAA O=C(C1CCCC1)N1CC[C@@]2(O)CCN(Cc3ccc(CO)o3)C[C@H]2C1 1565531396 MRYAIPGWJNOUIX-JXFKEZNVSA-N 362.470 1.747 0 50 FDAA CCc1nc(C)c(C(=O)N[C@H]2COCC[C@@H]2Oc2ccc(C(N)=O)cc2)o1 1565525727 VPZAWQUDDNIDQN-GJZGRUSLSA-N 373.409 1.611 0 50 FDAA C[C@H](C(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1)n1cncn1 275515061 DNJZMLCIFDHYCZ-CABCVRRESA-N 356.430 1.514 0 50 FDAA COC(=O)[C@@H]1CCN2C(=O)N(c3ccc(-n4cccn4)c(F)c3)C(=O)[C@H]2C1 278044083 HYGJKMUGUAKFRH-IAQYHMDHSA-N 372.356 1.732 0 50 FDAA O=C(NCC(=O)N1CCCc2n[nH]cc21)c1ccccc1OC(F)F 280232990 XPMVFMVLTISUAV-UHFFFAOYSA-N 350.325 1.720 0 50 FDAA Cc1cc(C)c(N2C[C@@H](C(=O)NS(=O)(=O)C3(C)CC3)CC2=O)c(C)c1 408351345 ZRPLLUSEHKIXGS-AWEZNQCLSA-N 364.467 1.963 0 50 FDAA COc1cccc(-c2cc(CNC(=O)CSc3nncn3C)no2)c1 1506408852 XYERYMHSDYXRDS-UHFFFAOYSA-N 359.411 1.887 0 50 FDAA O[C@H]1CN(Cc2cc(CN3CCCC3)cs2)CC[C@@H]1N1CCOCC1 1614363234 SEUTZMPFTSFLCF-OALUTQOASA-N 365.543 1.611 0 50 FDAA CN1CCOC2(CCN(C(=O)CN3C[C@@H](c4ccccc4)CC3=O)CC2)C1 1772815410 PVZLLIPQYLQZEF-SFHVURJKSA-N 371.481 1.326 0 50 FDAA Cc1nc2ncnn2c(O)c1NS(=O)(=O)c1ccc2c(c1)CCCC2 5492387 BYRNOQVGQPCWKH-UHFFFAOYSA-N 359.411 1.818 0 50 FDAA CC(C)C[C@@H]1NC(=O)[C@H]2CN(C(=O)Oc3ccc(F)cc3)CCN2C1=O 14543277 XFTVFNUEECPZQJ-LSDHHAIUSA-N 363.389 1.382 0 50 FDAA CC1=C(C(=O)OCCc2ccccc2)[C@]2(O)C(=O)c3ccccc3[C@@]2(O)N1 19771526 RJBDNNWWSZNDRB-SFTDATJTSA-N 365.385 1.422 0 50 FDAA COc1cc(Cl)cc2cc(C(=O)N[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)oc12 1857671485 TURIRKSMAUUSAL-XEQNPHJVSA-N 353.758 1.352 0 50 FDAA CCCCN1C[C@@H]2CN(CCS(=O)(=O)c3ccccc3)C[C@]2(CO)C1 1857701429 QIRLZXNZTKEVGM-MJGOQNOKSA-N 366.527 1.487 0 50 FDAA Cc1nc(N2CCOCC2)sc1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O 1857714659 GHWBBAHCXHQGPT-LSDHHAIUSA-N 359.451 1.676 0 50 FDAA O=C(C1CCOCC1)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857728934 GJWDQIKTELNEOZ-HLIPFELVSA-N 356.422 1.714 0 50 FDAA CCn1ccc(C(=O)N2C[C@@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)cc1=O 1857732750 FEHOTLHPRRCJDZ-VGUOSERISA-N 368.433 1.077 0 50 FDAA COc1cc(N2C[C@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)nc(OC)n1 1857735496 PXPOLNYZDOMAAD-QOIYZWAUSA-N 357.410 1.067 0 50 FDAA O=C(Cc1ccc(O)c(Cl)c1)N[C@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1 1857738690 UEYFJAZUSMJMQE-GRDNDAEWSA-N 350.846 1.956 0 50 FDAA O=C(O)[C@]1(CC2CC2)CN(Cc2nn[nH]c2-c2ccccc2)CC[C@@H]1O 1875241776 GYALOWMZQMAAEJ-QFBILLFUSA-N 356.426 1.909 0 50 FDAA N=c1[nH]c2cc(C(=O)NCCn3ncc4ccccc4c3=O)ccc2s1 1875248733 KJHPLIAVBVTSNN-UHFFFAOYSA-N 365.418 1.849 0 50 FDAA CO[C@@H]1C[C@@H](C(=O)NC2CC2)CC[C@H]1NC(=O)c1cccc2c1OCCO2 1875250169 CSINYXXUHWASJU-XGWLTEMNSA-N 374.437 1.650 0 50 FDAA CO[C@@H](C(=O)N1CC[C@@H](N(C)Cc2cc(O)nc(N)n2)C1)c1ccccc1 328654121 XFHJAPJZRCDHIO-NVXWUHKLSA-N 371.441 1.185 0 50 FDAA COC(=O)c1cccc(COC(=O)c2ccnc(NC(=O)C3CC3)c2)n1 803904856 TXVJMQRIXFTCGO-UHFFFAOYSA-N 355.350 1.969 0 50 FDAA Cc1ccc(S(=O)(=O)N2CC[C@H](O)[C@@](CC3CC3)(C(=O)O)C2)c(F)c1 1704331041 MWJSLDJOVDFJOL-RDJZCZTQSA-N 371.430 1.761 0 50 FDAA COC(=O)[C@H](CNC(=O)[C@@](C)(O)c1ccccc1)Oc1ccc(F)cc1 817554033 GEOITQMSKXIZPN-LPHOPBHVSA-N 361.369 1.770 0 50 FDAA O=C(CS[C@@H]1CCS(=O)(=O)C1)NCc1ccc(-c2cnco2)cc1 828027473 HABHZCCYHLFFJM-CQSZACIVSA-N 366.464 1.878 0 50 FDAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c1 4904913 MDSYQNATYFLSAC-RYUDHWBXSA-N 361.350 1.865 0 50 FDAA COCCN1CCC(CNC(=O)NC[C@@H]2CCN2Cc2ccccc2)CC1 2325756470 YUMZIMCIMZPTAF-FQEVSTJZSA-N 374.529 1.919 0 50 FDAA O=S1(=O)CC(CS(=O)(=O)N2CCC[C@H]2c2cc(F)ccc2F)C1 2325783004 SRQZBUWPDUGXPT-AWEZNQCLSA-N 365.423 1.476 0 50 FDAA CCN1CC[C@H](N2CC[C@]3(CCN(C(=O)[C@@H](OC)C4CCC4)C3)C2)C1=O 2325794672 MJYTZRSRECBRRX-ZWOKBUDYSA-N 363.502 1.347 0 50 FDAA CN(Cc1ccn(-c2ccccc2)n1)c1ncnc(N2CCC(N)CC2)n1 2325796390 NAEDCGFDBNAFCH-UHFFFAOYSA-N 364.457 1.621 0 50 FDAA NC(=O)c1c[nH]c(C(=O)Nc2ccc(-c3nnc4n3CCOC4)cc2)c1 2325866301 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356.382 1.703 0 50 FDAA Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)nc(C)n1 213399613 NCQSHOXHWJMQMV-HIFRSBDPSA-N 371.466 1.813 0 50 FDAA O=C1CCC(CCC(=O)N2C[C@H]3CCN(CCc4ccccc4)[C@H]3C2)=NN1 216328414 WSSKHWCDYCLPEP-MJGOQNOKSA-N 368.481 1.808 0 50 FDAA Cc1ccc(CC(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC(=O)N(C)C)cc1C 221974553 BXLCSHHPBRJAHC-MSOLQXFVSA-N 371.481 1.384 0 50 FDAA COc1ccc(-c2onc(N3CCCC3)c2C(=O)NC(CO)CO)cc1 1704326595 ISSBXFQSUJHASQ-UHFFFAOYSA-N 361.398 1.033 0 50 FDAA O=C(Cc1cccs1)N1CCCN(C(=O)c2nnc3n2CCCC3)CC1 1772706008 NYYZNFIPYOZZLI-UHFFFAOYSA-N 373.482 1.593 0 50 FDAA Cc1noc(CN2CCCN(C(=O)Cc3cccc(F)c3F)CC2)n1 1772811888 AGBPXISRNMQESA-UHFFFAOYSA-N 350.369 1.933 0 50 FDAA O=C([C@H]1CCc2sc(-c3ccncc3)nc2C1)N1CCC(O)(CO)CC1 1772818153 NKZLPGHBDLWCSP-AWEZNQCLSA-N 373.478 1.656 0 50 FDAA Cc1c(CNC(=O)c2coc(COc3ccc4c(c3)OCO4)n2)cnn1C 11999855 MAPAWNKKWKRYAG-UHFFFAOYSA-N 370.365 1.954 0 50 FDAA COc1ccccc1CC(=O)NCCn1cc(C(=O)NCC(C)C)nn1 12037382 RNEREUIESUEHKD-UHFFFAOYSA-N 359.430 1.031 0 50 FDAA O=C(N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1)c1ccc[n+]([O-])c1 12058723 QBKXEYVCQNRHQN-INIZCTEOSA-N 359.813 1.547 0 50 FDAA COc1cccc2ccc(CN3CC[C@@H](N4CCOCC4)[C@H](O)C3)nc12 12429741 CHEDBYMWNYBMOQ-QZTJIDSGSA-N 357.454 1.511 0 50 FDAA COC(=O)[C@@H]1CCCN1C(=O)CC[C@@]1(Cc2cccs2)CCC(=O)N1 12453243 DUWPVKXEFDFZDQ-KBXCAEBGSA-N 364.467 1.884 0 50 FDAA Cc1cc(C)n(-c2cccc(CN3CC[C@@H](N4CCOCC4)[C@H](O)C3)c2)n1 14968707 NJTISYAKIRGHAM-NHCUHLMSSA-N 370.497 1.757 0 50 FDAA CCOC(=O)CNC(=O)N1CC[C@H](C2CCN(Cc3cccnc3)CC2)C1 15065121 WTHBHKXMJGCJKG-SFHVURJKSA-N 374.485 1.888 0 50 FDAA COc1cnc(C)cc1C(=O)N[C@H]1CN(C)S(=O)(=O)c2ccsc21 1857696350 WSHOYYIBMUYHKM-NSHDSACASA-N 367.452 1.565 0 50 FDAA CC[C@H]1C[C@@H](O)CC2(CCN(C(=O)CNC(=O)c3ccccc3)CC2)O1 1857708540 YUTVVNFHJNVUDT-SJORKVTESA-N 360.454 1.728 0 50 FDAA CCCNC(=O)N1C[C@@H]2[C@H](CNC(=O)c3cncc(C)c3)[C@H]3CC[C@]2(C1)O3 1857720224 JYBJTQGLNXIYLH-TVKQPGBESA-N 372.469 1.719 0 50 FDAA Cc1ccc(F)c(C(=O)N[C@H]2C[C@H]3CO[C@@H](CCO)CN3C2)c1Cl 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N[C@@H]1CCCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 157965363 PALIJAWAQKLUSJ-TZMCWYRMSA-N 366.259 1.752 0 50 FDAA CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1cccc(-n2ccnc2)c1 390832813 BLNXAVPAERMHCO-ZBFHGGJFSA-N 362.455 1.320 0 50 FDAA O=C(N[C@@H](Cc1ccncc1)C(=O)O)c1csc(N2CCCCC2)n1 911426272 LLXYTYBZTPHDRG-ZDUSSCGKSA-N 360.439 1.954 0 50 FDAA O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCOC[C@H]1CO 912426695 FDWMYQMGFWZGLQ-GFCCVEGCSA-N 366.215 1.673 0 50 FDAA O=C1C[C@@H]2CCCCN2CCCN(C(=O)Cc2cc[nH]n2)CCCCN1 2100532803 ALXJSGUUJNNFDR-KRWDZBQOSA-N 361.490 1.326 0 50 FDAA CN1CCN([C@@H]2CC(=O)N(c3cccc(Br)c3)C2=O)CC1 19313592 DQBUFJBEPRYPGZ-CYBMUJFWSA-N 352.232 1.328 0 50 FDAA C[C@H]1CO[C@@H](C(=O)NC2CC3(CC(NC(=O)COCC4CC4)C3)C2)C1 2325794763 QBZUCHLWIURAGW-AEVDQLELSA-N 350.459 1.382 0 50 FDAA Cc1ccc2c(c1)N[C@H](C(=O)N1C[C@H]3C[C@H]1CCC3(F)F)NS2(=O)=O 2325805065 NCVVLBIRIHGIQL-GYSYKLTISA-N 371.409 1.671 0 50 FDAA Cc1nc(-c2cccnc2)ncc1C(=O)N(C)[C@@H]1C[C@@H]2CNC(=O)C[C@@H]2C1 2356138139 FOIJIFPTPHLOAX-XHSDSOJGSA-N 365.437 1.834 0 50 FDAA Cc1nc(N2CCOCC2)sc1C(=O)NCc1cccc2ncnn12 2356155303 BJBCSFFNZJIULS-UHFFFAOYSA-N 358.427 1.261 0 50 FDAA O=C1CCC[C@H]2[C@@H]3C[C@H](CN(c4cc(N5CCC(O)CC5)ncn4)C3)CN12 101819309 MWEFRPWZZSUAMG-INMHGKMJSA-N 371.485 1.275 0 50 FDAA CCN(Cc1nc(COC)no1)C(=O)CCNC(=O)c1ccccc1F 55090308 ONPUJSREFZAJDW-UHFFFAOYSA-N 364.377 1.524 0 50 FDAA CCSc1nc(CC(=O)N2Cc3nc[nH]c3C[C@@H]2C(=O)O)cs1 55100280 FZQLNNLTZOZROZ-LLVKDONJSA-N 352.441 1.559 0 50 FDAA CC(C)[C@H]1CN(C)CCN1C(=O)c1cc(CN2CCC(O)CC2)on1 67803486 YOOLMPYLYGMIJO-QGZVFWFLSA-N 350.463 1.044 0 50 FDAA O=C(c1cccc(=O)[nH]1)N1CCC[C@H](c2n[nH]c(=O)n2-c2ccccc2)C1 67473061 ZRCDOBXMAUDPJW-ZDUSSCGKSA-N 365.393 1.269 0 50 FDAA CNC(=O)CNc1ccc(C(=O)N2CCCC[C@H]2CCn2cccn2)cn1 67654778 ORPXQIDDGKTXMP-INIZCTEOSA-N 370.457 1.521 0 50 FDAA Cc1nc2c(c(NC[C@@H](c3cccnc3)N3CCOCC3)n1)CCNC2 67841802 SFXYVSVVMVCABB-SFHVURJKSA-N 354.458 1.311 0 50 FDAA Cc1cc(Br)cc(C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)c1 132050002 SIWFIHDFPCKRDW-GFCCVEGCSA-N 361.261 1.651 0 50 FDAA O[C@H](COc1ccccc1)CN1CCN(Cc2cccc3nonc23)CC1 253425529 UQCMHQDJZLZZGR-KRWDZBQOSA-N 368.437 1.780 0 50 FDAA CN(Cc1ccc2nonc2c1)C(=O)CCc1cc2n(n1)CCCNC2 72480022 GEQIROXEZZHXJV-UHFFFAOYSA-N 354.414 1.504 0 50 FDAA Cc1nn(CCCNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1Cl 6921671 VTWUMQCHVALMIW-UHFFFAOYSA-N 362.883 1.023 0 50 FDAA CCS(=O)(=O)C1CCN(C(=O)CCc2ccc3c(c2)OCCO3)CC1 436449297 FWIPAYQGYATION-UHFFFAOYSA-N 367.467 1.816 0 50 FDAA COc1nc2c(cc1CNC(=O)[C@@H]1CCN(C)C1)C(=O)N(C1CCCC1)C2 71759505 BECOHZSKBWYKGL-CYBMUJFWSA-N 372.469 1.557 0 50 FDAA Cc1cc(C(=O)NC2CCN(S(=O)(=O)[C@H]3CCOC3)CC2)c(C)o1 331917957 LGYNOWCZZXXWMI-AWEZNQCLSA-N 356.444 1.209 0 50 FDAA O=C(CCc1nc(-c2ccccc2)no1)N1CCC[C@H]1c1n[nH]c(=O)[nH]1 77566122 SPNZAAFZPZSBRS-LBPRGKRZSA-N 354.370 1.444 0 50 FDAA Cc1ccn2c(C(=O)N3CCC4(CC3)C[C@H](C(=O)O)N(C)C4)c(C)nc2c1 72150031 GBTAMERDWYNWAT-OAHLLOKOSA-N 370.453 1.962 0 50 FDAA O=C([C@@H]1CCCN1Cc1cnc(N2CCCCC2)nc1)N1CCOCC1 216094802 NKODQQYBPDIXGF-KRWDZBQOSA-N 359.474 1.290 0 50 FDAA 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FDAA CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCNC2)c1 237434151 APVMGKJHXYHAHA-JTQLQIEISA-N 366.892 1.021 0 50 FDAA CCc1ccccc1N1C[C@@H](C(=O)N2CCC(OCCCN)CC2)CC1=O 237012173 WODACQUCYCYVBH-KRWDZBQOSA-N 373.497 1.958 0 50 FDAA O=C(NCCCOc1ccc(CN2CCOCC2)cc1)c1cnsn1 15008370 MHNSRWWVZQVVQM-UHFFFAOYSA-N 362.455 1.569 0 50 FDAA CCOC(=O)[C@H](NS(C)(=O)=O)c1c(C)nn(Cc2ccccc2)c1C 253431145 UCXQWHYDHJGMJY-MRXNPFEDSA-N 365.455 1.702 0 50 FDAA CC1=CC[C@H]2CN(C(=O)c3cc(C)nc4c3c(=O)nc(O)n4C)C[C@H]2C1 253612768 FLKHKHMQTYMXBX-QWHCGFSZSA-N 354.410 1.771 0 50 FDAA Cc1cc(=O)n2nc(CN3C[C@@H](C(N)=O)Cc4ccccc43)sc2n1 264145256 YZEKNTSRLJUQMR-LBPRGKRZSA-N 355.423 1.124 0 50 FDAA CN(C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC1)S(C)(=O)=O 264526536 FKBDYKPORSBTII-UONOGXRCSA-N 372.437 1.951 0 50 FDAA O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)N1CCC[C@@H](c2ncc[nH]2)C1 264809560 SJMOVSQFZDYPNG-MNOVXSKESA-N 359.352 1.462 0 50 FDAA Cc1cc(F)cc(C(=O)N[C@H]2CCC[C@@H](CN3CC4(CNC(=O)N4)C3)C2)c1 2100483025 NEVKFTIYTXOYSP-PBHICJAKSA-N 374.460 1.790 0 50 FDAA O=C1CC[C@H](Nc2cc(N3CCCC3)nc(-c3ccccc3)n2)C(=O)N1 1857797781 PRQXWHBAZNGYGI-AWEZNQCLSA-N 351.410 1.961 0 50 FDAA O=C(NC(=S)N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1Cl 4756106 UHSOKYXZSJHALO-MRVPVSSYSA-N 367.279 1.785 0 50 FDAA CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cnn(C2CCCCC2)c1 2325775715 FZTPHBUHWHJELN-HNNXBMFYSA-N 354.476 1.678 0 50 FDAA C=CC(=O)N(C)c1ccc(C(=O)N=[S@]2(=O)CCC3(C2)OCCO3)cc1 2325889665 HKVFGRALGOXRMK-VWLOTQADSA-N 364.423 1.590 0 50 FDAA COc1ccc(OC)c(N(CC(=O)N2CCCCCC2)S(C)(=O)=O)c1 893791 HGHZIKOICNTRCN-UHFFFAOYSA-N 370.471 1.872 0 50 FDAA Nn1cnnc1S[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1 1115238 BDKOGRQYRYKVOL-OLZOCXBDSA-N 353.473 1.374 0 50 FDAA COCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1 1898678 PLMUOIAWNAVDRC-UHFFFAOYSA-N 374.466 1.795 0 50 FDAA c1ccc(Cc2nc3n(n2)CCN(c2nnnn2-c2ccccc2)CC3)cc1 2356165094 SSLIBGJCJOJLMH-UHFFFAOYSA-N 372.436 1.907 0 50 FDAA Cc1ocnc1C(=O)N1CCC[C@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356170069 SZFMPTQMJJWNHJ-DOXZYTNZSA-N 361.442 1.884 0 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CN(CC(=O)O)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CCO1 328606647 SHZRSVPSJCRJOI-BZUAXINKSA-N 366.845 1.687 0 50 FDAA CC(C)[C@@H]1OCCC[C@@H]1Nc1ccnc(NC[C@@H]2CC(=O)N(C3CC3)C2)n1 328640884 QHJTVSCPCVLBOI-QOKNQOGYSA-N 373.501 2.515 0 50 FDAA CC(C)[C@@H]1OCCC[C@@H]1Nc1ccnc(NC[C@H]2CCCS2(=O)=O)n1 328621401 AJXMPYQOVZZVNL-YCPHGPKFSA-N 368.503 2.081 0 50 FDAA CCc1nnc([C@@H]2CN(S(=O)(=O)C3Cc4ccccc4C3)CCO2)o1 328623731 JJEQIMGOHQSNQJ-HNNXBMFYSA-N 363.439 1.503 0 50 FDAA Cc1cccc(N(CCCC(=O)N2CCN(C)CC2)S(C)(=O)=O)c1 20567972 QUTMEOMHBYLMHW-UHFFFAOYSA-N 353.488 1.315 0 50 FDAA COC(=O)[C@H]1C[C@@H](O)CCN1Cc1cc(Cn2cncn2)c(C)cc1C 65429541 FGJUEQJTLLXQJP-ZWKOTPCHSA-N 358.442 1.442 0 50 FDAA CCc1ccc(N(CC(=O)NC2CCN(C)CC2)S(C)(=O)=O)cc1 67601756 KQGWRQLAMLDOKI-UHFFFAOYSA-N 353.488 1.225 0 50 FDAA Cc1nn(C)c(C)c1[C@@H]1COCCN1[C@@H]1CCCN(CC(F)(F)F)C1=O 333373650 ZZZVLJDXFSFWDF-KGLIPLIRSA-N 374.407 1.964 0 50 FDAA c1cncc(N2CCN(Cc3cnc(NC[C@H]4CCCO4)nc3)CC2)c1 77521298 RNOZPODNAYKSHM-GOSISDBHSA-N 354.458 1.785 0 50 FDAA O=C(COC[C@@H]1CCCO1)N1CCCN(C2Cc3ccccc3C2)CC1 77489256 YYSBLKRZSHZUIA-FQEVSTJZSA-N 358.482 1.884 0 50 FDAA Cc1ccc2oc(C(=O)N3CCC(N4CCC[C@@H]4C(N)=O)CC3)cc2n1 363486928 WKMPCLBZZONOAP-OAHLLOKOSA-N 356.426 1.691 0 50 FDAA C[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCc2c(nnn2-c2ccccc2)C1 367774011 XIZDIGZVXLIKLA-GXTWGEPZSA-N 354.414 1.002 0 50 FDAA C[C@@H](C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O)n1cnc2ccccc21 363955157 YNEXLYQPTGUSLW-XJKSGUPXSA-N 356.426 1.493 0 50 FDAA COc1cccc2c1CCN(C(=O)CN1C(=O)N[C@@](C)(C3CC3)C1=O)C2 364681872 KZIWSFLAQRGPTF-IBGZPJMESA-N 357.410 1.300 0 50 FDAA CCO[C@@H]1COCC[C@H]1NC(=O)c1cc2nc(C)cc(C(F)(F)F)n2n1 219921915 HANLEBAXXXHGBV-ZYHUDNBSSA-N 372.347 1.980 0 50 FDAA Cc1ccc(OC2(C(=O)O)CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cn1 72433919 KJMQGWLGKYWVHQ-UHFFFAOYSA-N 357.366 1.217 0 50 FDAA Cc1cc(C(=O)N2CCC[C@H](c3nnc(CN4CCCC4)n3C)C2)no1 72479355 RWQFPBLQMZTIAU-AWEZNQCLSA-N 358.446 1.727 0 50 FDAA O=C(c1cnccn1)N1CCC(N2CCC(N3CCCC3=O)CC2)CC1 71746599 VJFCTKCOFLTURH-UHFFFAOYSA-N 357.458 1.168 0 50 FDAA Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn(CC2(C)COC2)nn1 374663131 ZIAXMPCJGFAMES-GOOCMWNKSA-N 370.457 1.599 0 50 FDAA CCN1Cc2nc(OC)c(CNC(=O)CN3C[C@@H]4CC[C@H]3C4)cc2C1=O 71748126 RNFRLDMGDQHTDZ-OCCSQVGLSA-N 358.442 1.166 0 50 FDAA C[C@@H](C1CCN(C(=O)c2ccccc2-c2nnn[nH]2)CC1)N1CCOCC1 72412068 KJYRDEOYNQTLGM-AWEZNQCLSA-N 370.457 1.440 0 50 FDAA N[C@H]1CCN(C(=O)c2coc(CN3CCN(c4ccccc4F)CC3)n2)C1 71749322 GSYSTAXDEUOSPA-AWEZNQCLSA-N 373.432 1.309 0 50 FDAA C[C@@H]1CN(C(=O)c2ccc(N3CCOCC3)c(F)c2)CC[S@](=O)C1 241171023 KDRDLUJWRUZRTQ-OZAJXLCCSA-N 354.447 1.503 0 50 FDAA CC(C)(C)OC(=O)NC1CCN(C(=O)[C@@]23[C@@H]4[C@H]5C(=O)[C@H]2[C@@H]2[C@@H]5C[C@@H]4[C@@H]23)CC1 241776897 RTJMNYWVDSCPKE-PDMGINKGSA-N 372.465 1.829 0 50 FDAA O=C(c1ccccc1)N1CC[C@H](CN2CCN(C[C@H]3CCOC3)CC2)C1 241965746 UVGYGXNBLDJCBR-RTBURBONSA-N 357.498 1.803 0 50 FDAA CN1CCC[C@@H](CNC(=O)c2cnn3cccnc23)[C@@H]1c1ccnn1C 285401835 XTQVZUNXIQQBJC-XJKSGUPXSA-N 353.430 1.276 0 50 FDAA CCCCc1nn(CC(=O)N2CCCC[C@@H]2c2ccn(C)n2)c(=O)n1CC 77297764 AHVRXZFLRSNGFP-MRXNPFEDSA-N 374.489 1.895 0 50 FDAA CCc1nccc(CN2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n1 71738525 AWWZBWBWSUAMHK-MRXNPFEDSA-N 371.529 1.994 0 50 FDAA CN(C(=O)N[C@@H]1CCCn2ncnc21)[C@H]1CCN(c2ccccc2)C1=O 176588538 ZCFWXWYXCLDBKJ-CABCVRRESA-N 354.414 1.560 0 50 FDAA Cn1c(CNCC2(c3ccccc3)CCOCC2)nnc1[C@H]1C[C@H](N)C1 220018944 VLNHPFYGJOPGEP-WOVMCDHWSA-N 355.486 1.858 0 50 FDAA O=C(Cn1cc(Br)cn1)N1CCC[C@](O)(C(F)(F)F)CC1 288080105 ZEIKQMCITAJWJX-LLVKDONJSA-N 370.169 1.952 0 50 FDAA COc1cccc2ccc(-c3cnn(CC(=O)Nc4cnn(C)n4)c3)nc12 48148084 NRRGDSFTJWKCGH-UHFFFAOYSA-N 363.381 1.874 0 50 FDAA C[C@@H]1CN(c2ccccc2)C(=O)CN1C(=O)c1ccnc(-n2cnnc2)c1 82134754 YWIXCBPHSNXKIM-CQSZACIVSA-N 362.393 1.540 0 50 FDAA CCCN(C(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C)[C@@H]1CCNC1 178904547 APWKGBOEZUOGAK-OAHLLOKOSA-N 365.499 1.650 0 50 FDAA CS(=O)(=O)NCC[C@@H]1CCCCN1c1ncnc2c1ncn2C1CC1 292822980 SYIYHPMZGWYCHK-LBPRGKRZSA-N 364.475 1.459 0 50 FDAA O=C(O)Cn1ccc([C@@H]2CCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)n1 426573026 GZHLFXIHJDSBEJ-CQSZACIVSA-N 371.393 1.645 0 50 FDAA O=C(Cn1nccc1[C@H]1CCCNC1)NCCNC(=O)c1ccc(F)cc1 426434851 NOPLRCLYDOPVTO-HNNXBMFYSA-N 373.432 1.035 0 50 FDAA CN(Cc1nc(-c2cnccn2)no1)CC1(N2CCOCC2)CCCCC1 20775426 CSABLRDMGAUWQY-UHFFFAOYSA-N 372.473 1.994 0 50 FDAA CCN1CC[C@H](NC(=O)c2cccc(N3N=C(C)[C@](O)(CC)C3=O)c2)C1 230474136 HULGZUIIFHJSHC-HNAYVOBHSA-N 358.442 1.374 0 50 FDAA CN1CCO[C@H](CNC(=O)c2cccc(-c3ccsc3C(N)=O)c2)C1 426555890 LBKHYGDORKXLPG-CQSZACIVSA-N 359.451 1.574 0 50 FDAA CN(CCSc1ccccc1)C(=O)c1cnc(Cn2cncn2)nc1O 91690242 CYVQWOIZYMCXHU-UHFFFAOYSA-N 370.438 1.686 0 50 FDAA Cc1ccc(N2C[C@@H](Cc3ccccc3)N(C(=O)C(N)=O)CC2=O)cc1 426535794 ZSCRMCQLEFFKAU-QGZVFWFLSA-N 351.406 1.267 0 50 FDAA CN(C)S(=O)(=O)N1CCN(C[C@@H]2CCOc3ccccc3C2)CC1 95513147 BMRNWKRVEUIWSU-OAHLLOKOSA-N 353.488 1.052 0 50 FDAA CC(C)[C@H](NC(=O)c1nn(CCC[C@@H](O)CF)c2ccccc12)C(N)=O 96024645 IEYDKWLGOBQFKU-DOMZBBRYSA-N 364.421 1.387 0 50 FDAA in-vitro 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FDAA CCN(CCO)C[C@@H]1CN(C(=O)c2ccc3ncsc3c2)C[C@@H]1CO 91325403 YEISUVQVTZTGIP-HUUCEWRRSA-N 363.483 1.291 0 50 FDAA CN(C)c1nccnc1N1CCC[C@H](c2nnc(Cn3ccnc3)n2C)C1 91943392 HIXAGWMLFVRJAA-AWEZNQCLSA-N 367.461 1.300 0 50 FDAA O=C(O)c1ccc2c(c1)CCN2S(=O)(=O)c1cnn([C@H]2CCOC2)c1 269679172 FDAAZQJIAJSRKG-ZDUSSCGKSA-N 363.395 1.294 0 50 FDAA CCOc1ccc(CCCC(=O)N2CCN(C(C)=O)C[C@H](O)C2)cc1C 299778242 PTRGKKQWPZTUFG-SFHVURJKSA-N 362.470 1.768 0 50 FDAA COc1ccccc1-n1cc([C@H](C)NC(=O)CCn2nnnc2C)cn1 299775552 KHEFSYJABGGYOF-LBPRGKRZSA-N 355.402 1.443 0 50 FDAA CS(=O)(=O)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1ccsc1 1875390757 HAVSUQLJWJKQHX-IHRRRGAJSA-N 370.496 1.526 0 50 FDAA O=C(CN[C@@H](Cc1ccccc1)C(=O)O)Nc1ccc2nc(O)[nH]c2c1 1875354318 DLHSVSSTGZVWOP-HNNXBMFYSA-N 354.366 1.493 0 50 FDAA O=C(c1cccc(C2=CCOCC2)c1)N1CCc2c(O)nc(O)nc2C1 1875318447 QDSMNRYTTYWSCS-UHFFFAOYSA-N 353.378 1.890 0 50 FDAA CCn1nnc(C(=O)N(C)C2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2C[C@@H]2C)c1C 1875406424 DCSQUHOXLPJLJH-ZTCSBWPDSA-N 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372.513 1.352 0 50 FDAA CCN(Cc1nc(COC)no1)C(=O)NCCc1cn2ccccc2n1 426425217 KGWGLKLJKDDZII-UHFFFAOYSA-N 358.402 1.638 0 50 FDAA Cc1nnc(CN(C)Cc2cc(-c3cnccn3)ccc2OCC(=O)O)o1 97402431 LEAMADKDEAZAMF-UHFFFAOYSA-N 369.381 1.930 0 50 FDAA CCn1ccnc1[C@H]1CCCN(C(=O)c2cnn3cc(CCO)cnc23)C1 91769429 DFRCIYAYPCZPTC-HNNXBMFYSA-N 368.441 1.500 0 50 FDAA CC(C)Cc1cc(C(=O)NC[C@H](c2ccccn2)N2CCOCC2)n(C)n1 92038268 HMNHCVJARXDKPQ-LJQANCHMSA-N 371.485 1.817 0 50 FDAA O=C(c1cnccn1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 95375580 VGPOUBAKZSBEAE-QXAKKESOSA-N 350.422 1.885 0 50 FDAA CSCCc1nc([C@@H]2CC(=O)N(C3CCCC3)C2)n(CC(=O)O)n1 97570851 JPHBVYSYAFDSSG-LLVKDONJSA-N 352.460 1.527 0 50 FDAA Cc1nc2c(c(=O)n1C)CN(C(=O)Nc1cccc(C(=O)NC(C)C)c1)C2 96147839 YBCLHSDKTUYUON-UHFFFAOYSA-N 369.425 1.775 0 50 FDAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cnc(-c3ccccn3)nc2)on1 96136384 NRQXNFQETBOJGO-DYVFJYSZSA-N 365.393 1.823 0 50 FDAA Cc1cc(C)n(CC2(CNC(=O)Cn3ncc4ccccc4c3=O)CC2)n1 97402516 KGTMPJCGOVARIH-UHFFFAOYSA-N 365.437 1.806 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CCn1nc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3=O)cc1C 91412196 PPYYFVOVHDMMII-DOTOQJQBSA-N 367.453 1.870 0 50 FDAA CCn1nc(C)c(CN(CCOC)C(=O)C[C@@H]2CN(C)CCN2C)c1C 244734646 NJKSHKGCYYBPAN-QGZVFWFLSA-N 365.522 1.131 0 50 FDAA CC(C)(C)c1noc(-c2ccccc2C(=O)N2CCO[C@@H](C(=O)O)C2)n1 299752898 VXZXKDBMIGMVPN-CYBMUJFWSA-N 359.382 1.960 0 50 FDAA C[C@H](NC(=O)c1cccc(-c2nccnc2N(C)C)c1)c1ncnn1C 534584143 MGHMMAKYIGETSD-LBPRGKRZSA-N 351.414 1.829 0 50 FDAA Cc1nn(C(C)C)c(C)c1CNC(=O)N1CCN(CCn2cncn2)CC1 534671647 YMGODJRCCZGQGE-UHFFFAOYSA-N 374.493 1.200 0 50 FDAA COc1ccc(OCCCN)c(C(=O)N2CC(n3nc(C)cc3C)C2)c1 299783868 VJJNJAHTBTUBDZ-UHFFFAOYSA-N 358.442 1.933 0 50 FDAA Cc1noc(CC2CCN(C(=O)c3cnc4ccccn4c3=O)CC2)n1 299773242 BFEBOBDMDYLHIS-UHFFFAOYSA-N 353.382 1.481 0 50 FDAA Cc1ccc(S(=O)(=O)N2C[C@@H](c3c[nH]nn3)[C@@H](CC(=O)O)C2)s1 299785929 SGQCWXBTMUGERX-VHSXEESVSA-N 356.429 1.054 0 50 FDAA CN(C)C(=O)NCC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCCC1 299780098 BJXJMTODNNUDFA-HNNXBMFYSA-N 352.866 1.864 0 50 FDAA O=C(NC[C@H]1CCS(=O)(=O)C1)N1CCOc2ccc(Cl)cc2C1 825569615 XRRPFPQCWMNNMW-LLVKDONJSA-N 358.847 1.679 0 50 FDAA CN1CC[C@H](C(=O)N2CCOC3(CCN(Cc4ccccn4)CC3)C2)C1 823754999 POOHCGXCGZRSEW-KRWDZBQOSA-N 358.486 1.227 0 50 FDAA O=C(Cn1cnc2ccsc2c1=O)NCc1nc(-c2cccnc2)no1 670469134 BMXQILFFOVYOSB-UHFFFAOYSA-N 368.378 1.219 0 50 FDAA Cc1cncnc1N1CC2(CN(C(=O)c3cn(C)cn3)CC(C)(C)O2)C1 1875408568 ZHVFUVLCVMOTQX-UHFFFAOYSA-N 356.430 1.029 0 50 FDAA Cc1cc(C)n2ncc(-c3noc([C@@H]4Cn5cnnc5CN4C)n3)c2n1 952892519 ACINNPKRKYKKAH-LBPRGKRZSA-N 351.374 1.174 0 50 FDAA CCN1CCO[C@@H](CNC(=O)c2[nH]ccc2C2CC2)[C@@H]1c1cncn1C 952852673 HVIAYVSDZWTDPS-WMZOPIPTSA-N 357.458 1.817 0 50 FDAA CC1CCN(C(=O)[C@H](NC(=O)[C@@H]2CO[C@H](CN)C2)c2ccccc2)CC1 1875276804 DBXRVOOZIFBLPQ-OKZBNKHCSA-N 359.470 1.466 0 50 FDAA O=C(NCCCC1CCNCC1)C(=O)N[C@H]1COc2ccc(Cl)cc21 1875266551 OXJKZECBVAIRRP-HNNXBMFYSA-N 365.861 1.786 0 50 FDAA Cn1ccc(Cn2cnn(-c3cccc(Br)c3)c2=O)cc1=O 1875317460 ZGBDEEOFGYILDE-UHFFFAOYSA-N 361.199 1.544 0 50 FDAA CCc1nc([C@@H]2CN(C(=O)c3cnn(CC)c3CC)Cc3c[nH]nc32)n[nH]1 1875393337 KSPFADGYHYNRSA-CYBMUJFWSA-N 368.445 1.657 0 50 FDAA COC[C@H]1CCCN1S(=O)(=O)N(Cc1c(C)nn(C)c1C)C1CC1 952973880 PAJDPNLRTLGPOM-OAHLLOKOSA-N 356.492 1.357 0 50 FDAA Cc1cc(N2CCN(C(=O)[C@H]3C=CCN3)CC2)nc(-c2ccccc2O)n1 952963968 LTDYDRBGEQDXJG-MRXNPFEDSA-N 365.437 1.334 0 50 FDAA COc1ccc(-n2cc([C@@H](C)NC(=O)Cn3nc(C)cc3N)cn2)cc1 952975187 MBWXZURVENSDDA-CYBMUJFWSA-N 354.414 1.845 0 50 FDAA CO[C@H]1CCN([C@H]2CCC[C@H]2N(C)S(=O)(=O)Cc2cc(C)no2)C1 886079381 JUXWDPLFBDTZCZ-IMJJTQAJSA-N 357.476 1.386 0 50 FDAA Cn1cc([C@@H]2CN(C(=O)NCc3c(F)cc(F)cc3F)C[C@H]2CO)cn1 886091663 HKOWJRSTYOLIAP-FZMZJTMJSA-N 368.359 1.755 0 50 FDAA Nc1ccc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(C(=O)O)cc2)cn1 1565530029 BCMSMISTTVJJOE-GJZGRUSLSA-N 357.366 1.328 0 50 FDAA Cc1nnc(O)c(CNC(=O)[C@@H]2CCCCN2Cc2ccncc2)c1C 1318428496 LPHQHCUOXADXTR-KRWDZBQOSA-N 355.442 1.865 0 50 FDAA CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)CN2S(=O)(=O)Cc1ccc(F)cc1 1073376484 CNYRHAAQYDDOIR-ZBFHGGJFSA-N 369.462 1.733 0 50 FDAA COC[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(CC(=O)O)c2)CC1 414355239 YOAWYOAFDQXIDT-CYBMUJFWSA-N 371.455 1.760 0 50 FDAA C[C@H](c1cccnc1)N1CCN(Cc2nnnn2CC(F)(F)F)CC1 190910301 VZHDTHQGFYDBKB-GFCCVEGCSA-N 355.368 1.509 0 50 FDAA CC(C)NC(=O)CNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 198161297 PXWPOPFHBGRQCD-LBPRGKRZSA-N 355.847 1.784 0 50 FDAA CS(=O)(=O)NC1CCN(c2noc(-c3ccccc3)c2C(=O)O)CC1 1704314196 RZORRUGRLAYBLO-UHFFFAOYSA-N 365.411 1.558 0 50 FDAA CN(CC(=O)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12)C(N)=O 1704298013 CVQCTWUGZKUJKM-UHFFFAOYSA-N 356.426 1.569 0 50 FDAA Cc1nc(O)cc([C@@H]2CCCN(C(=O)c3c(C)nn4ncccc34)C2)n1 1775981650 HQEFKTPJURQMJR-CYBMUJFWSA-N 352.398 1.862 0 50 FDAA O=C1C[C@H](C(=O)N2CCCN(Cc3nc4ccccc4s3)CC2)CN1 1772700872 FMZLITUNOFUPDD-ZDUSSCGKSA-N 358.467 1.467 0 50 FDAA O=C(c1cn(CCN2CCOCC2)nn1)N1CCCC[C@H]1c1cccnc1 11668069 LAYYIEKNIDDFKE-SFHVURJKSA-N 370.457 1.373 0 50 FDAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCCCO2)cc1 15078257 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O=C(NCCn1ncc2ccccc2c1=O)[C@@H]1CC(=O)N(C2CCCC2)C1 91645308 JYTXAMPYBHOGOL-OAHLLOKOSA-N 368.437 1.304 0 50 FDAA O=C(NCc1cccnc1)Nc1ccc(OCC(=O)N2CCOCC2)cc1 96136182 XFBPJHNRBKBAJJ-UHFFFAOYSA-N 370.409 1.641 0 50 FDAA COc1cc(CN(C)Cc2cnccn2)cc(Cl)c1OCC(N)=O 92591056 UGSYICUGHOPHGP-UHFFFAOYSA-N 350.806 1.635 0 50 FDAA CCS(=O)(=O)N1C[C@@H]2CN(Cc3ccc(C)cc3C)C[C@]2(C(=O)O)C1 96131954 VWUXNNZSLIMPNQ-WMZOPIPTSA-N 366.483 1.472 0 50 FDAA O=C(N1CCCO[C@H](CN2CCOCC2)C1)C1(c2ccc(F)cc2)CC1 91616620 YBEWVXXBTJCZTK-GOSISDBHSA-N 362.445 1.807 0 50 FDAA Cc1nc(CCNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)sc1Cl 95528681 UGJKOWUNJAEJHM-NSHDSACASA-N 358.895 1.174 0 50 FDAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(C)=O)CN1Cc1cccc2nonc12 96165456 JNDOSYMYSXAGMF-ZBFHGGJFSA-N 359.430 1.170 0 50 FDAA COc1ccc(C(=O)N2C[C@H]3CN(CC4CCC4)C[C@@]3(C(=O)O)C2)cc1 91595726 DVFHEKWIQPJLLN-OXQOHEQNSA-N 358.438 1.954 0 50 FDAA Cc1cc(N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)nc(N)n1 91254683 MMEWVEYBORNZRW-OAHLLOKOSA-N 359.474 1.755 0 50 FDAA Cc1ccc(C(=O)NCC[C@H]2CN(c3cnn(C)c(=O)c3)CCO2)s1 23338053 SCCJORLLALZFJA-AWEZNQCLSA-N 362.455 1.176 0 50 FDAA CN(C)CCCn1ccnc1C1CCN(C(=O)[C@H]2CCCN(C)C2)CC1 95392723 XCAYQHOPAMBOGX-SFHVURJKSA-N 361.534 1.883 0 50 FDAA O=C(Nc1cc(N2CCOCC2)ccc1Cl)N[C@@H]1C=CS(=O)(=O)C1 96152512 ZONKZBUDGVJHMQ-LLVKDONJSA-N 371.846 1.609 0 50 FDAA Cc1nn(C)c(C)c1CCC(=O)N1C[C@@H](NC(=O)N(C)C)[C@H](C(C)C)C1 91934811 MVAJJBHPMDWTTO-DLBZAZTESA-N 363.506 1.724 0 50 FDAA Cc1cc(C(=O)N(CCC(=O)O)C[C@H]2CCCO2)ccc1-n1cncn1 299747603 DIEAHOGYNWNUAI-OAHLLOKOSA-N 358.398 1.672 0 50 FDAA Cc1cccc(N2C[C@H](C(=O)N(CCN(C)C)CC(=O)O)CC2=O)c1C 299748696 HWJBDJSNXLWCTN-OAHLLOKOSA-N 361.442 1.131 0 50 FDAA COc1ccc(CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1C(=O)O 299752929 WACZGZOCLMFOEI-ZDUSSCGKSA-N 372.377 1.651 0 50 FDAA Nc1nc(O)cc([C@H]2C[C@@H](NC(=O)c3nc(O)c4ccccc4n3)C2)n1 253535926 XUIRHOAXXAGCEH-DTORHVGOSA-N 352.354 1.089 0 50 FDAA CCc1n[nH]c(C(=O)NCc2cc3n(n2)CCN(C(=O)C2CCC2)C3)c1C 299800030 URZQNFNHYLJBAP-UHFFFAOYSA-N 370.457 1.549 0 50 FDAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)c1cnn(-c3ccccn3)c1C)CC2 299789727 AFEIKVYIGWTVRR-SIXWZSSISA-N 356.426 1.720 0 50 FDAA O=C(Cc1cc(=O)[nH][nH]c1=O)NCC[C@H]1CCCCN1Cc1ccccc1 299802262 ZOTRBWOHIMGTSP-QGZVFWFLSA-N 370.453 1.167 0 50 FDAA CN(C)S(=O)(=O)CCNC(=O)Nc1ccccc1OC[C@@H]1CCCO1 299795678 LAPURIGPUNZRJK-ZDUSSCGKSA-N 371.459 1.257 0 50 FDAA COc1ccc([C@H](NC(=O)Cc2cc(O)nnc2O)c2ccncc2)cc1 824654622 OCKZTLRFUIXWIK-SFHVURJKSA-N 366.377 1.740 0 50 FDAA CN(C(=O)NCc1noc(Cc2cccs2)n1)[C@@H]1CCS(=O)(=O)C1 584888566 QJJVHIOZWODOJQ-SNVBAGLBSA-N 370.456 1.050 0 50 FDAA O=S(=O)(CCOc1ccccc1)NCCCN1CCCC[C@H]1CO 670439659 HZWZFNULRUCKNM-INIZCTEOSA-N 356.488 1.222 0 50 FDAA C[C@H]1C(=O)N(Cc2ccccc2)CCN1C(=O)CSc1nncn1C 952962571 CIUARXZWEMDQLO-ZDUSSCGKSA-N 359.455 1.167 0 50 FDAA Cc1nc(N(C)C)ncc1C(=O)Nc1ccc(CC(=O)NC2CC2)cc1 952981335 DIVKZJXJVOUOET-UHFFFAOYSA-N 353.426 1.924 0 50 FDAA Cc1nn(C)cc1[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O 170807948 NQWJRCFMXWTTEU-WBMJQRKESA-N 356.426 1.916 0 50 FDAA COCC(=O)N1CC[C@H](NC(=O)c2ccccc2-c2ccccc2)[C@@H](O)C1 1565517166 HRJPOACLSREDFP-OALUTQOASA-N 368.433 1.692 0 50 FDAA Cc1ccc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(C(N)=O)cc2)cc1O 1565512356 SEQAVGFNXYHTTD-WMZOPIPTSA-N 370.405 1.766 0 50 FDAA CN(C)C(=O)CO[C@H]1COCC[C@@H]1NC1CCC2(CCNCC2)CC1 1565506420 MKXBVEDWKFBCNX-IRXDYDNUSA-N 353.507 1.151 0 50 FDAA Cn1cc(C(=O)N2CCO[C@@H](CC(=O)O)C2)c(-c2ccc(F)cc2F)n1 408513477 CGAWIPFHEBEROE-NSHDSACASA-N 365.336 1.681 0 50 FDAA COC(=O)[C@H](CNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)c1ccccc1 269341480 BUSOGJCYSFKGRW-KGLIPLIRSA-N 370.471 1.023 0 50 FDAA Cc1nn(C)c2c1N(S(=O)(=O)c1cnn(CC(F)(F)F)c1)CCO2 274873530 MXYHXUVXINVSAZ-UHFFFAOYSA-N 365.337 1.075 0 50 FDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1ccc(F)c(Cl)c1 1704297062 FIOHWQIEYDDVAK-GXFFZTMASA-N 364.826 1.115 0 50 FDAA CC[C@]1(C(=O)OC)N[C@@H](c2ccc(F)c(Cl)c2)[C@H]2C(=O)N(C)C(=O)[C@H]21 209961523 MPZYIAPMNJXMEA-MRHIQRDNSA-N 368.792 1.676 0 50 FDAA Cc1nnc(CN2CCCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)o1 1772807735 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358.490 1.588 0 50 FDAA CN1CCO[C@@H](C(=O)N(CCO)Cc2cccc(Br)c2)C1 331151844 OMQVOBVHPMVJJD-CQSZACIVSA-N 357.248 1.101 0 50 FDAA COc1ccccc1N1CC[C@@H](NC(=O)c2ccc(CNC(N)=O)cc2)C1 156857252 HGUWBMKADUFWGN-MRXNPFEDSA-N 368.437 1.872 0 50 FDAA Cc1nnc2n1C[C@@H](C(=O)O)N(C(=O)Cc1c(F)cccc1Cl)C2 263456894 UTXLJJUTCVIDCR-LBPRGKRZSA-N 352.753 1.417 0 50 FDAA CNC(=O)[C@@H]1CCCN(C(=O)NCCNc2nccc(C(F)(F)F)n2)C1 161927750 IBGXRFGJOVSKLI-SNVBAGLBSA-N 374.367 1.075 0 50 FDAA CC(C)Cn1[nH]c(CC(=O)N[C@H]2CCN(c3ccccc3F)C2)cc1=O 820323647 OCJRHCHAYOJOSQ-AWEZNQCLSA-N 360.433 1.909 0 50 FDAA Cc1ccc(S(=O)(=O)NC[C@@H]2CCO[C@@H]2c2nc[nH]n2)c(Cl)c1 952890602 WIIDOCPHOCIVMD-GWCFXTLKSA-N 356.835 1.823 0 50 FDAA CN(C(=O)c1cnn(-c2ccncc2)c1)[C@@H]1CCCN(c2cccnn2)C1 1875290532 OCIBERYAOWSQOX-QGZVFWFLSA-N 363.425 1.798 0 50 FDAA N=[S@@]1(=O)CCC[C@@]2(CCCN2C(=O)NCc2nnc(O)n2C2CC2)C1 1875396222 ZLPCMVSCOOXBNA-ODCWNRFASA-N 368.463 1.203 0 50 FDAA COC(=O)/C=C/CCNC(=O)C1CCN(C(=O)c2cccs2)CC1 1875311638 ICXSHEITNCIWGA-QHHAFSJGSA-N 350.440 1.836 0 50 FDAA CS(=O)(=O)NC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 1875390394 SYTHTNKMZMTPIU-SECBINFHSA-N 351.350 1.393 0 50 FDAA CO[C@@H]1CN(c2ccnc(NCc3ccccc3CO)n2)C[C@@H]1N(C)C 1875398178 FQJPLWYXTIXXGS-DLBZAZTESA-N 357.458 1.346 0 50 FDAA Cn1c(CC(=O)N[C@@H]2C[C@H](Cn3ccnc3)C[C@H]2O)cc2ccccc21 1875403675 YDTDLHNQBJDWTA-POZUXBRTSA-N 352.438 1.873 0 50 FDAA CN(C)c1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccnn2C)ccn1 886075545 NYMOCOMCJGAKAQ-GUYCJALGSA-N 356.430 1.429 0 50 FDAA Cc1noc2nc3c(c(C(=O)N4CC[C@H]5[C@@H]4CCN5CC(=O)O)c12)CCC3 2100542686 DVAKJLRKUQDQGL-KBPBESRZSA-N 370.409 1.393 0 50 FDAA CCc1nc([C@H]2OCC(=O)N[C@@H]2c2ccc(OC)c(OC)c2)n(CC)n1 2100545098 HADPCUOVYGKPRU-SJORKVTESA-N 360.414 1.806 0 50 FDAA O[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1Nc1cc(-n2ccnc2)ncn1 2325785786 NDNZQPDDGTZQOW-IACUBPJLSA-N 359.821 1.764 0 50 FDAA O=C(CCn1nc(O)c2ccccc21)Nc1cnn(C2CCNCC2)c1 2325822752 MQGOEJHJMXRWKL-UHFFFAOYSA-N 354.414 1.892 0 50 FDAA O=C(N[C@H](CO)[C@@H](O)C1CCCCC1)c1nnc2c(F)cccc2c1O 2325842161 PYNFUJVXPHHACJ-CJNGLKHVSA-N 363.389 1.506 0 50 FDAA O=C(O)CN(CC(=O)O)C(=O)c1cc(Cl)c(Br)s1 2325870088 JHALOLIFBQKSRT-UHFFFAOYSA-N 356.581 1.775 0 50 FDAA OCCN1CCN(c2nc(NC[C@H]3CCCO3)c3ccccc3n2)CC1 808324 FAPMUKZLPNFZGY-OAHLLOKOSA-N 357.458 1.335 0 50 FDAA O=C(CCc1nc(O)n[nH]1)N1CCCN(c2nc3ccccc3o2)CC1 2356135470 GNXKSRPLPGQFHQ-UHFFFAOYSA-N 356.386 1.323 0 50 FDAA CN(C(=O)c1c[nH]c(=N)nc1-c1ccccc1)[C@@H]1C[C@@H]2CNC(=O)C[C@@H]2C1 2356153818 WIZGIVMRFWVKQT-ZNMIVQPWSA-N 365.437 1.543 0 50 FDAA O=C(CN1CCOc2ccccc2C1)N1CCc2nc(C3CC3)nn2CC1 2356168108 PVGADUKFQRDQEX-UHFFFAOYSA-N 367.453 1.435 0 50 FDAA COC1(CO)CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 225567508 PNUJFALUDWQALK-UHFFFAOYSA-N 360.410 1.063 0 50 FDAA CC(=O)N(CC(=O)O)[C@@H]1CCCN(C(=O)Cc2cn3ccccc3n2)CC1 462268149 AMZGRMPTFRKTKU-MRXNPFEDSA-N 372.425 1.191 0 50 FDAA C[C@H]1CN(Cc2ccc(C(=O)NCc3cccs3)c(=O)[nH]2)C[C@@H](C)O1 23128720 QGOFUOILSMUZDJ-BETUJISGSA-N 361.467 1.976 0 50 FDAA Cc1cc(C(=O)Nc2cc(C(N)=O)ccc2N2CCC[C@@H](C)C2)nc(N)n1 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C[C@@]1(O)CCOC2(CCN(S(=O)(=O)Cc3ccccc3F)CC2)[C@H]1O 1704316526 SWTQSNRJIKOTRI-JKSUJKDBSA-N 373.446 1.022 0 50 FDAA C[C@@]1(NC(=O)c2cc3ccccc3cn2)CCOC2(CCNCC2)[C@H]1O 1704344486 RBZPECBSKLGTKA-RBUKOAKNSA-N 355.438 1.627 0 50 FDAA Cc1nnc(N2C[C@H]3CN(Cc4coc(C(C)C)n4)C[C@@]3(CO)C2)s1 1772806517 YZQVZOLTXFNKRQ-DYVFJYSZSA-N 363.487 1.889 0 50 FDAA COc1cc(CNn2cn[nH]c2=S)ccc1OCC(=O)NC(C)(C)C 5408098 KZTVBTXHVARNFZ-UHFFFAOYSA-N 365.459 1.986 0 50 FDAA CCNC(=O)c1cc(S(=O)(=O)NCCc2ccccc2)ccc1OC 13676775 ZVDHDUJQNSVFHK-UHFFFAOYSA-N 362.451 1.966 0 50 FDAA NC(=O)[C@H]1CCCN(C(=O)c2cn(Cc3cccc4ccccc34)nn2)C1 15077515 HHWYYUDRGCAGEO-INIZCTEOSA-N 363.421 1.817 0 50 FDAA Cc1n[nH]cc1-c1nc([C@H]2CCn3ncnc3C2)n(-c2cnn(C)c2)n1 1857675428 XPVZACPAZGDYAB-NSHDSACASA-N 350.390 1.021 0 50 FDAA CC(C)C[C@H](N)c1nc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](C)CN3C2)cs1 1857705089 SCLNNGFBAGNHQF-CRWXNKLISA-N 352.504 1.780 0 50 FDAA Cc1ccc(C)c(C(=O)N[C@@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)c1 1857725431 WSARHVCJMNMAJM-IKGGRYGDSA-N 359.470 1.353 0 50 FDAA O=C(c1ccc(Cn2ccnc2)o1)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1857736643 UWXJFLPVXIXCMA-NVXWUHKLSA-N 356.426 1.460 0 50 FDAA O=C(c1cncnc1O)N1CC[C@@]23O[C@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857738754 XGVXUQFSWKCUIM-KHYOSLBOSA-N 366.377 1.097 0 50 FDAA CN(C[C@@H]1C[C@H](F)CN1Cc1cncnc1)C(=O)C[C@@H]1CCCCO1 328631961 LAVZIWSBXRZYKQ-ULQDDVLXSA-N 350.438 1.807 0 50 FDAA Cn1cc(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)c(C(F)(F)F)n1 328707015 AMSUPTRPLSTAOD-LLVKDONJSA-N 366.409 1.688 0 50 FDAA CS(=O)(=O)CC(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 330643234 XWTNDVPATQMRKO-JTQLQIEISA-N 352.334 1.125 0 50 FDAA CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C 363619993 MDZBTKFBKQXNCH-LBTNJELSSA-N 357.454 1.870 0 50 FDAA NC(=O)[C@@]1(O)CCN(C(=O)C(Cc2ccccc2)Cc2ccccc2)C1 367595241 AOROSBWSXLAWED-OAQYLSRUSA-N 352.434 1.537 0 50 FDAA O=C(CN1CC[C@H](O)[C@@](CC2CC2)(C(=O)O)C1)NCc1cccs1 1704304469 SCRGLDPVONYICX-YOEHRIQHSA-N 352.456 1.302 0 50 FDAA CCOC(=O)Cc1nnc2c(Nc3ccccc3F)nc3nonc3n12 821751 DGZRNUIBWGZCQY-UHFFFAOYSA-N 357.305 1.649 0 50 FDAA CCCC(=O)N1CCCN(C(=O)N[C@@H]2CN(C)C3(CCOCC3)C2)CC1 2325786339 CWRXVNQSGLZGSG-INIZCTEOSA-N 366.506 1.284 0 50 FDAA O=C(NCCCn1ccc2ccccc2c1=O)c1ccc2n1CCNC2 2325801625 PXMJDBOYVXALRF-UHFFFAOYSA-N 350.422 1.726 0 50 FDAA COCCOc1ccc(C2CN(c3ccncc3S(N)(=O)=O)C2)cc1 2325802729 YITUHTHGBNSNET-UHFFFAOYSA-N 363.439 1.358 0 50 FDAA CC(C)(C)[C@@H](C(=O)N1CCC(c2nc(O)n[nH]2)CC1)N1CCCCC1=O 2325849141 HPJYIKNQAUGOBE-CQSZACIVSA-N 363.462 1.644 0 50 FDAA O=C(CC[C@H]1Cc2ccccc2CN1)Nc1ccc(-n2nnnc2O)cc1 2325859093 NWSWGUHZLQJJIB-INIZCTEOSA-N 364.409 1.801 0 50 FDAA C[C@H](CC1CCC1)C(=O)N1CC[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)[C@H](F)C1 2325862736 GKMXFUXUHINLKJ-KFTDAMQQSA-N 352.450 1.760 0 50 FDAA C=CC(=O)N(C)c1ccc(C(=O)N2CCS(=O)(=O)[C@H]3CCC[C@H]32)cc1 2325890025 SKMVPTSBJFGLBU-CVEARBPZSA-N 362.451 1.627 0 50 FDAA Cc1c(C(=O)N2C[C@@H]3CC[C@@H](N)[C@H]3C2)nnn1-c1cccc2cnccc12 248633506 PSDYEDOSPFLTSJ-BHYGNILZSA-N 362.437 1.933 0 50 FDAA C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 1065507 CGXPLEWUHCHUHN-GFCCVEGCSA-N 362.407 1.763 0 50 FDAA COc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)c1 1098235 PWTOOXYZLCONBH-UHFFFAOYSA-N 350.396 1.435 0 50 FDAA CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(F)cccc1Cl 1127858 NJBCBSWMBJFTGB-UHFFFAOYSA-N 366.780 1.673 0 50 FDAA CC(C)N(C)C(=O)CN(c1cccc(-n2cccn2)c1)S(C)(=O)=O 2356137042 PEGSWKQRFZISMV-UHFFFAOYSA-N 350.444 1.505 0 50 FDAA COc1ccc(OCC2CCN(C(=O)[C@@H]3CN(C)CC[C@@H]3O)CC2)cc1 2356142766 GRYYXGUWSFQTQN-MOPGFXCFSA-N 362.470 1.625 0 50 FDAA N=c1nc2c(c[nH]1)CC[C@]21CCCN(C(=O)CNC(=O)c2ccccc2)C1 2356142897 MHOSTDQPKRBPQY-FQEVSTJZSA-N 365.437 1.126 0 50 FDAA CCn1ccnc1CN(C)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 55575641 XMFPAFNODBOASN-UHFFFAOYSA-N 364.471 1.636 0 50 FDAA COCCCN1CC[C@@H](CNC(=O)CCNC(=O)c2ccccc2F)C1 55199307 KOURZPSGKWCDSF-HNNXBMFYSA-N 365.449 1.420 0 50 FDAA O=C1CCCN1Cc1ccc(C(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 172757567 SGWCUAFLAVGMQW-GOSISDBHSA-N 357.454 1.356 0 50 FDAA NC(=O)c1cccnc1N1CCN(C(=O)c2coc3ccccc23)CC1 113159374 WSRVZWYNHOJBSD-UHFFFAOYSA-N 350.378 1.889 0 50 FDAA O=C(O)CNC(=O)CNC(=O)c1cn(Cc2ccccc2)c2ccccc12 170625764 JHMBLTHNSZBXFJ-UHFFFAOYSA-N 365.389 1.620 0 50 FDAA biogenic COCCn1cnnc1CN(C)c1ncnc2sc(C(=O)O)c(C)c12 67696547 TWYKXGKDBVAUPU-UHFFFAOYSA-N 362.415 1.572 0 50 FDAA Cc1ccccc1NC(=O)CC(=O)N1CCNC(=O)[C@H]1Cc1ccccc1 55183209 MERZCCBQDOXSBI-GOSISDBHSA-N 365.433 1.893 0 50 FDAA CN1CCN(C[C@@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)CC1 23373109 OTGSGAJNAZGWDK-SFHVURJKSA-N 353.413 1.066 0 50 FDAA Cc1cccc([C@@H](C(=O)N2CCN(C)C3(CCN(C)CC3)C2)N(C)C)c1 67973946 DFXLKOPBZAQHAB-IBGZPJMESA-N 358.530 1.836 0 50 FDAA Cc1cccnc1CN1CCN(C(=O)[C@@H]2CCC(=O)N(C3CC3)C2)CC1 20534869 CKKFMGLFJSGZOV-MRXNPFEDSA-N 356.470 1.435 0 50 FDAA CN1CCC(N2CCN(Cc3c(F)cccc3F)C[C@@H]2CCO)CC1 23375160 PFTILFLCEBTHLS-INIZCTEOSA-N 353.457 1.928 0 50 FDAA O=C(c1cc(COc2ccc(-n3cncn3)cc2)on1)N1CC[C@H](O)C1 67674044 OAXSLDNOMFRWQN-ZDUSSCGKSA-N 355.354 1.041 0 50 FDAA CC[C@@]1(O)CCCN(S(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)C1 67805418 WEUSMPFSSLIAAG-OAHLLOKOSA-N 374.484 1.018 0 50 FDAA CCN1CCN(C2(C(=O)NCc3cccnc3)Cc3ccccc3C2)CC1 20994183 CKPAWJVQQSRWNV-UHFFFAOYSA-N 364.493 1.873 0 50 FDAA C[C@H](C(=O)N1CCC(c2cc(CC(=O)O)[nH]n2)CC1)n1cc(Cl)cn1 67541157 KMYFCUSHAICVRX-SNVBAGLBSA-N 365.821 1.854 0 50 FDAA CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)[C@H]2CCc3[nH]nnc3C2)C1 242389335 ZWHSDVFVLQRJRT-STQMWFEESA-N 363.462 1.768 0 50 FDAA Cn1c([C@@H]2CCCN2C[C@@H](O)COC2CCOCC2)nc2c1CCCC2 328654662 XPBPRVBSMRYHSV-BEFAXECRSA-N 363.502 1.992 0 50 FDAA O=C1OCc2ccc(S(=O)(=O)N3CC[C@@H](Oc4cccnc4)C3)cc21 328608717 BBJHQDNVXPYDGO-CQSZACIVSA-N 360.391 1.594 0 50 FDAA CN(C)c1nccc([C@@H]2CN(C(=O)c3ccc4n[nH]cc4c3)CCO2)n1 328623717 JILOSRMMIKPLFK-INIZCTEOSA-N 352.398 1.633 0 50 FDAA Cc1cc(CS(=O)(=O)N2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)no1 333422333 JHYCWQWSCRLGFB-BETUJISGSA-N 372.349 1.615 0 50 FDAA CC(=O)N1CCC(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)CC1 72133896 KNILWIBAONCQBU-NRFANRHFSA-N 369.509 1.947 0 50 FDAA Cc1nc([C@@H]2CCCN(Cc3cnc(N4CCCC4)nc3)C2)cc(=O)[nH]1 72145625 JANVIZXHIZIILC-MRXNPFEDSA-N 354.458 1.848 0 50 FDAA Cc1nc([C@H]2COCCN2C(=O)c2ccc(-c3nnc(S)o3)cc2)no1 363908455 QRNCUYSJCCRZID-GFCCVEGCSA-N 373.394 1.930 0 50 FDAA CCN1CCN(CCCNC(=O)c2ccc([C@H]3CCCNC3)cc2)CC1 216261783 WLKYZMQPKJZLIE-FQEVSTJZSA-N 358.530 1.911 0 50 FDAA Nc1nc(CCC(=O)N[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)n[nH]1 72481365 RDNQLHOKIGCVPJ-AWEZNQCLSA-N 362.865 1.754 0 50 FDAA O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC1(C(F)(F)F)CCOCC1 332319712 ODGDWZANFYNMTE-GHMZBOCLSA-N 362.348 1.389 0 50 FDAA CCc1nc(COc2ccc(C(=O)N3CCO[C@H](C(=O)O)C3)cc2)no1 262951002 IUAJLKZXEJGYRO-ZDUSSCGKSA-N 361.354 1.137 0 50 FDAA COCCn1nnnc1[C@@H]1CN(Cc2cccc3ncccc23)CCO1 215998277 ZEEOBGJLVAZDNL-KRWDZBQOSA-N 354.414 1.441 0 50 FDAA COCCN1C[C@H](C(=O)NCc2ccccc2-c2cnn(C)c2)CC1=O 372854334 GKSKQVIMNGSWKX-OAHLLOKOSA-N 356.426 1.198 0 50 FDAA CNCCN1C(=O)CC[C@H]2CN(C(=O)COCc3ccccc3)CC[C@H]21 72406844 PYBOLJYLLZGBPD-ZWKOTPCHSA-N 359.470 1.262 0 50 FDAA O=C(Nc1nncn1C1CC1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 375890110 RKKYYNJNHBIMOZ-JTQLQIEISA-N 355.354 1.333 0 50 FDAA O=C(NCCc1noc(-c2ccccc2)n1)c1cc2c([nH]c1=O)CCC2 214989935 BVZKYEIQBXVGRY-UHFFFAOYSA-N 350.378 1.886 0 50 FDAA CCOCCN1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 71764825 INKUQIVJZMXUBL-GOSISDBHSA-N 374.529 1.911 0 50 FDAA COCC1(C(=O)N2CCO[C@@H](Cn3nc(C)cc3C)C2)CCOCC1 377897121 LLJHYKZIZVXNDI-MRXNPFEDSA-N 351.447 1.171 0 50 FDAA NS(=O)(=O)N1CCN(Cc2ccc(-c3ccccc3Cl)o2)CC1 124903754 ZFGNCVVBJOECMV-UHFFFAOYSA-N 355.847 1.921 0 50 FDAA CCCN(C)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CCN4CCCCC4)C(=O)[C@H]13)O2 77323705 WKHXGNFZXBPMDF-BOSXTWCSSA-N 361.486 1.123 0 50 FDAA Cc1ccc(-c2cc(C(=O)NC[C@H]3CCCN3S(C)(=O)=O)[nH]n2)cc1 132012401 VZYXDOVEDUCHQG-CQSZACIVSA-N 362.455 1.539 0 50 FDAA Cc1cccc2nc(C(=O)N3CC[C@@H]4[C@@H](CCC(=O)N4CCN)C3)cn12 72419689 ZGOORSSXWYETKT-GOEBONIOSA-N 355.442 1.055 0 50 FDAA O=C(Cn1ncc2ccccc21)N[C@@H]1CCOC[C@H]1Oc1ccccn1 218913929 NZKUVQZLRXVWHB-NVXWUHKLSA-N 352.394 1.784 0 50 FDAA Cc1cc(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)c2cnn(C)c2n1 175836289 GNFYCHIIMYSUQZ-ZDUSSCGKSA-N 353.430 1.409 0 50 FDAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)CCCNC(C)=O)C3)cn1 220749955 JNYASRHHYCHILY-UHFFFAOYSA-N 357.414 1.281 0 50 FDAA Cc1noc(C)c1S(=O)(=O)N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1 222260460 UMKKLPDGMKGCDO-HUUCEWRRSA-N 370.402 1.945 0 50 FDAA Cn1cc(-c2noc([C@@H](c3cccc(F)c3)N3CCOCC3)n2)ccc1=O 288968561 DOPFABKNLOTJQW-QGZVFWFLSA-N 370.384 1.996 0 50 FDAA Nc1nnc(SCC(=O)N2CCC(CCn3cccn3)CC2)s1 221224882 GRVLDINLQMCLBT-UHFFFAOYSA-N 352.489 1.738 0 50 FDAA O=C(NCCN1CCC[C@H](CO)C1)c1ccc(-c2cnc(O)nc2)cc1 426388342 BMQHSDVSWDTYAC-AWEZNQCLSA-N 356.426 1.283 0 50 FDAA Cc1ccc(CN2CCN(C(=O)NCc3cnn(C)c3)CC2=O)cc1C 426544605 AYBBUVVQUVXPKL-UHFFFAOYSA-N 355.442 1.591 0 50 FDAA COc1nc(N2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)ncc1F 223467455 QSLXYYFWQRPWIA-OAHLLOKOSA-N 373.392 1.046 0 50 FDAA O=C(c1nc2ncccn2n1)N1CCN(Cc2ccc(F)cc2Cl)CC1 20614052 ATTBOJOBJHFMOP-UHFFFAOYSA-N 374.807 1.875 0 50 FDAA COCC[C@H]1CN(C(=O)c2cccc(-c3cnc(O)nc3O)c2)CCO1 426712645 MSIYMIOQUHCIFM-AWEZNQCLSA-N 359.382 1.432 0 50 FDAA Cc1nc(CN2C[C@H]3CN(C4CCOCC4)C[C@@]3(C(=O)O)C2)cs1 96151666 FIZWOJOYMJQZBB-GUYCJALGSA-N 351.472 1.449 0 50 FDAA Cn1ccnc1SCCNC(=O)[C@@H]1CCCN(C2CCOCC2)C1 95374564 BLIQXXVIPRJJAI-CQSZACIVSA-N 352.504 1.519 0 50 FDAA Cc1c(C(=O)N2CCNC(=O)[C@@H]2c2ccc(F)cc2)cnc2ccnn12 97675247 VXGMRILNFIMFFQ-INIZCTEOSA-N 353.357 1.490 0 50 FDAA CCC[C@H]1CN(C(C)=O)C[C@@H]1NS(=O)(=O)N(C)Cc1ccccc1 91997427 DQOSRTJWJZGLCK-IRXDYDNUSA-N 353.488 1.600 0 50 FDAA CN(CCn1ccnc1)C(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 96163859 LBNLTHCXQONZSY-KRWDZBQOSA-N 371.441 1.956 0 50 FDAA O=C(c1ccco1)N1CCCN(C(=O)c2ccccc2-c2nnn[nH]2)CC1 97553379 YVASGVMLZAYLLP-UHFFFAOYSA-N 366.381 1.448 0 50 FDAA O=C(CCN1CCC2(CC1)OCCC[C@H]2O)NCc1ccc(F)cc1 91270597 AJPXYXTXSBUONY-QGZVFWFLSA-N 350.434 1.838 0 50 FDAA CCN(Cc1noc(C)n1)C(=O)CN1C[C@@H](Cc2ccccc2)CC1=O 95506649 RSQZKLOXXFMNHZ-INIZCTEOSA-N 356.426 1.818 0 50 FDAA CCN1CCC[C@@](C)(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 95355330 SKHDXYFQFFSUFA-QGZVFWFLSA-N 353.488 1.115 0 50 FDAA COCc1noc(C[C@H]2CN(C(=O)c3csc(C(C)=O)c3)CCO2)n1 96159975 FHYZBQSBNDYCMZ-LBPRGKRZSA-N 365.411 1.564 0 50 FDAA Cc1noc(C)c1C(=O)NCc1cc2n(n1)CCCN(C(=O)N(C)C)C2 91860493 GGQWMMWKLMISPH-UHFFFAOYSA-N 360.418 1.305 0 50 FDAA COc1cccc(-c2n[nH]cc2C(=O)N2Cc3cnn(CCO)c3C2)c1 97088292 HFRRONFTPDBLPK-UHFFFAOYSA-N 353.382 1.430 0 50 FDAA Cc1cccn2c(=O)cc(CN3CCC[C@H](c4nnc(CO)n4C)C3)nc12 244701095 KACRVEJHHWJSTR-AWEZNQCLSA-N 368.441 1.003 0 50 FDAA COc1ccc([C@@H](NC(=O)CCc2nc(Cl)n[nH]2)[C@H]2C[C@H](O)C2)cn1 244574757 CQWHHXKKFCPJFI-UEKVPHQBSA-N 365.821 1.423 0 50 FDAA Cc1nn(CC(C)C)c(C)c1CC(=O)N(CC(=O)O)C1CCOCC1 299748171 GHYXBSSXVGKJQZ-UHFFFAOYSA-N 351.447 1.791 0 50 FDAA Cc1cnc(CN(C)C(=O)NCc2cc3n(n2)CCN(C(=O)C(C)C)C3)[nH]1 534642916 IDCPMKNDCLNEEJ-UHFFFAOYSA-N 373.461 1.254 0 50 FDAA Cn1nc(C(=O)NC[C@H]2CCCN(c3ncccn3)C2)cc1C(F)(F)F 299773223 AWVNOAUXCAHYMZ-LLVKDONJSA-N 368.363 1.875 0 50 FDAA C[C@H](C(=O)N1CCCN(C(=O)C2CC2)CC1)c1n[nH]c(=O)c2ccccc12 299787672 YQWKXTUAKHTWDC-ZDUSSCGKSA-N 368.437 1.498 0 50 FDAA C[C@H]1CCCCN1Cc1ncnn1-c1cc(S(N)(=O)=O)ccc1F 822409977 VPGPNDQUUYILCQ-NSHDSACASA-N 353.423 1.428 0 50 FDAA Cc1cc(=O)cc(C(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)o1 584903765 GJAMOWXGLGMMMM-UHFFFAOYSA-N 374.344 1.781 0 50 FDAA CC(C)CS(=O)(=O)CCNC(=O)N1CCCC[C@@H]1CCn1cccn1 670461877 FIXXBVFTXNWDJM-MRXNPFEDSA-N 370.519 1.908 0 50 FDAA Cc1nc(C)n(CCC(=O)N[C@@H]2CC[C@@H]3CN(C(=O)[C@H]4C[C@@H]4C)C[C@@H]32)n1 1875406494 FVKFTUGMDTXOHK-MDBLMMRSSA-N 359.474 1.294 0 50 FDAA Cn1ncc2c1CCN(C(=O)c1cnc(-c3ccco3)s1)[C@@H]2C(N)=O 1875394484 KACQHXMMFPETSU-ZDUSSCGKSA-N 357.395 1.362 0 50 FDAA CN1CCC(C(=O)NC[C@H]2CCCN2C(=O)c2cccc3nc[nH]c23)CC1 1875316193 ZQNXLEUZTWPIRC-OAHLLOKOSA-N 369.469 1.626 0 50 FDAA O=C(O)C[C@H](Cc1cn(CCc2ccccc2)nn1)NC(=O)[C@H]1CCOC1 1875324598 FGHXVZDIALOTRF-HOTGVXAUSA-N 372.425 1.059 0 50 FDAA C=CC(=O)N(C)c1ccc(C(=O)N=c2ccn(C[C@H]3CCOC3)[nH]2)cc1 1875373908 UFAKIGISXAFUHW-CQSZACIVSA-N 354.410 1.743 0 50 FDAA COCC(=O)N1CC[C@H](Nc2ncc(C(F)(F)F)cc2Cl)[C@@H](O)C1 1565515717 LDUOWLNVBQWCNP-QWRGUYRKSA-N 367.755 1.774 0 50 FDAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)NCc1ccco1 1565506427 CSNIOGSFUYENHI-KGLIPLIRSA-N 355.398 1.516 0 50 FDAA Cc1cccc(C(=O)N2C[C@@H]3CN(C(=O)C4CCC4)C[C@]3(C(=O)O)C2)c1 1565529332 CWLNHTMJTJEGPW-JXFKEZNVSA-N 356.422 1.780 0 50 FDAA Cc1nc2ncccn2c1C(=O)N1C[C@@H]2CC[C@H]1CN(c1ncccn1)C2 1565512209 NFGDAKOLIJPVDU-CABCVRRESA-N 363.425 1.569 0 50 FDAA CN(C)C(=O)CO[C@H]1COCC[C@@H]1NC(=O)c1ccnc2ccccc12 1565516870 ZQYXMWUGJVMTJQ-IRXDYDNUSA-N 357.410 1.227 0 50 FDAA O=C1C[C@@]2(CCN(C(=O)NCc3cccc(N4CCCC4=O)c3)C2)CN1 279146808 CNPSUBGEAQPJIU-IBGZPJMESA-N 356.426 1.235 0 50 FDAA NC(=O)[C@@H]1CC[C@H](C(=O)NCc2nccn2CCCc2ccccc2)O1 170608059 SYULVNKLTYTSSK-JKSUJKDBSA-N 356.426 1.165 0 50 FDAA CNC(=O)c1cc(S(=O)(=O)N[C@H]2C[C@H](c3ccccc3F)C2)cn1C 280693072 FYRZKKIIODPTQT-HAQNSBGRSA-N 365.430 1.748 0 50 FDAA Cc1ccc(NC(=O)[C@@H]2CNC[C@H](C(=O)NCCN3CCCC3)C2)cc1 91665072 UYRGPOGBVZEYJW-SJORKVTESA-N 358.486 1.371 0 50 FDAA O=C(NS(=O)(=O)C[C@@H]1CCCOC1)c1cc(Br)cs1 408250476 MVSPIJQAUZPXPV-MRVPVSSYSA-N 368.274 1.997 0 50 FDAA O=S(=O)(c1ccc2c(c1)CCCC2)N1CCO[C@@H](Cn2cccn2)C1 111359969 WAAZBSLVXFLEDT-KRWDZBQOSA-N 361.467 1.852 0 50 FDAA COc1ccc(CN2C[C@H](O)[C@H](Cc3cc(C)[nH]n3)C2)c(OC)c1OC 1529109484 AGAXBDPYIQVCJO-ZBFHGGJFSA-N 361.442 1.779 0 50 FDAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NCC(C)(C)N2CCCC2)OCC(=O)N1C 1529174821 YJRITOFZJMGZGC-MOPGFXCFSA-N 373.497 1.884 0 50 FDAA Cc1cc(C[C@@H]2CN(C(=O)c3cc(C)nc4c3c(C)nn4C)C[C@@H]2O)on1 1704341739 ZTPYQMXRUIKUCC-CJNGLKHVSA-N 369.425 1.557 0 50 FDAA COC(=O)[C@@]1(CC(C)C)N[C@@H](c2ccncc2F)[C@H]2C(=O)N(C)C(=O)[C@H]21 209785427 TWFRUCNAJUMOJW-NUXNZHGMSA-N 363.389 1.054 0 50 FDAA Cc1ccc(NC(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC(=O)N(C)C)c(C)c1 212644050 JWHGBBLDUUXXMM-CVEARBPZSA-N 372.469 1.846 0 50 FDAA COc1nc2c(cc1C(=O)N1CC[C@@]3(C(=O)O)CCCN(C)[C@@H]3C1)CCC2 1704301356 WEVRFHWJIMCEEW-UZLBHIALSA-N 373.453 1.590 0 50 FDAA COC(=O)N1CCCC[C@@H]1C(=O)N1CCCN(C(=O)c2cc[nH]c2)CC1 1704309051 WUUKRNONBMSFLO-OAHLLOKOSA-N 362.430 1.310 0 50 FDAA O=C(c1cscn1)N1CC[C@H]2[C@H](CCC(=O)N2CCc2cnc[nH]2)C1 217012546 MPVOJBYZFXOXGO-DOMZBBRYSA-N 359.455 1.562 0 50 FDAA O=C(NCCOc1cccc2cccnc12)c1cc(N2CCOCC2)no1 1772805980 WMKYNVBOMPEDMH-UHFFFAOYSA-N 368.393 1.868 0 50 FDAA Cc1noc(C)c1-c1nc2c(s1)CC[C@@H](C(=O)NCCc1cnn[nH]1)C2 1772811839 YNNABAVGYZYAPO-LLVKDONJSA-N 372.454 1.997 0 50 FDAA Cc1cnn(CCCNC(=S)Nc2ccc(S(N)(=O)=O)cc2)c1 5041427 RWHXXBSLWKTGBW-UHFFFAOYSA-N 353.473 1.216 0 50 FDAA CN(C)c1ncc2c(n1)CCC[C@@H]2NC(=O)CCN1CCCCCC1=O 11999723 POYODFMZSLZOCR-HNNXBMFYSA-N 359.474 1.829 0 50 FDAA O=C1CCCN1CCCNc1nc2nonc2nc1N1CCCCCC1 12057954 AARXSCRDDKTCMN-UHFFFAOYSA-N 359.434 1.818 0 50 FDAA Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCCc1cccnc1 12307627 KBDNSKVOBNSGRM-LJQANCHMSA-N 366.465 1.439 0 50 FDAA O=C(c1cccs1)N1CCN(CCN2C(=O)c3ccccc3C2=O)CC1 12377217 YLZJMWANDLKDDF-UHFFFAOYSA-N 369.446 1.802 0 50 FDAA CC(=O)N1CCN(c2nc3nonc3nc2NCc2ccccc2)CC1 12441880 KRZBTVQWNWRENQ-UHFFFAOYSA-N 353.386 1.293 0 50 FDAA Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N[C@H](CC(C)C)C(N)=O 12462411 VGBSPRLUXDLYPS-CQSZACIVSA-N 367.471 1.300 0 50 FDAA CC(C)N1CCNC(=O)[C@@H]1CC(=O)NCCc1ccc(C(F)(F)F)cc1 12712297 HTFYZWSKYQNWBZ-HNNXBMFYSA-N 371.403 1.963 0 50 FDAA O=C(C[C@H]1C(=O)N=C2Nc3ccccc3N21)Nc1ccc2c(c1)OCCO2 13721374 GTKMCCPWTAFTLI-AWEZNQCLSA-N 364.361 1.983 0 50 FDAA O=C1CC[C@@H](CCNCCOc2ccc(F)cc2)N1C[C@H]1COCCO1 14974272 BZXQAKBUKJRMOR-WMZOPIPTSA-N 366.433 1.591 0 50 FDAA CCOC(=O)N1CCN(C(=O)c2ccc(CN3CCOCC3)cc2)CC1 19530609 UYTHIBMXTZIRHW-UHFFFAOYSA-N 361.442 1.433 0 50 FDAA O=C(c1ccc(Cn2cnnn2)cc1)N1CCc2[nH]nc(C3CC3)c2CC1 1857680701 SNCUKXBHJXHGFC-UHFFFAOYSA-N 363.425 1.563 0 50 FDAA CCOc1ccccc1N1CCN(C(=O)[C@@H]2CCc3ncnn3C2)CC1 1857701866 SMNHRCYTWSFZEP-OAHLLOKOSA-N 355.442 1.588 0 50 FDAA CN1CC(=O)N(c2cccc(NC(=O)[C@H]3CC[C@H]4OCCN[C@@H]4C3)c2)C1=O 1857731001 HFVQKDDDQKQRJE-APHBMKBZSA-N 372.425 1.181 0 50 FDAA CC(C)[C@H]1CN2C[C@@H](NC(=O)c3nc(=O)c4ccccc4[nH]3)C[C@H]2CO1 1857733064 TWTVTSXNFGGPMB-HEHGZKQESA-N 356.426 1.151 0 50 FDAA O=C(N[C@H]1C[C@H]2CO[C@@H](CCO)CN2C1)c1cccc(OC(F)(F)F)c1 1857737122 YILHOTGRCBHDPA-YDHLFZDLSA-N 374.359 1.539 0 50 FDAA CCOC[C@H](O)CN1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 113498909 ZKAUNDJVNWZKLB-MRXNPFEDSA-N 356.488 1.007 0 50 FDAA CS(=O)(=O)N(CC(=O)N1CCCCCC1)Cc1cn2c(n1)CCCC2 328620198 GUJJMIUFWUWSBO-UHFFFAOYSA-N 368.503 1.384 0 50 FDAA O=C(O)C[C@@H]1CN(C(=O)Cc2ccc(F)c(Br)c2)CCO1 238193769 RYKGIHFESWGHMA-SNVBAGLBSA-N 360.179 1.833 0 50 FDAA Cc1ccc(C(=O)N2C[C@@H]3CN(CCO)C[C@]3(C(=O)O)C2)cc1Cl 248160138 OBAYAGOEIJTKSM-GUYCJALGSA-N 352.818 1.099 0 50 FDAA CCCN1CCCN(C(=O)NC2CCN(C[C@H]3CCOC3)CC2)CC1=O 252491457 LMXOHSXPCHLDRN-MRXNPFEDSA-N 366.506 1.141 0 50 FDAA CCO[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(N(C)C(C)=O)cc2)[C@H]1OC 252512095 MISUZDQPYUOASX-BZUAXINKSA-N 356.444 1.140 0 50 FDAA O=C(O)CN1C[C@H]2COC[C@@H]1CN(C(=O)CCCc1cccs1)C2 1704313181 HTWATLFDTBLSBV-KGLIPLIRSA-N 352.456 1.315 0 50 FDAA C[C@@H](CC1CCNCC1)NC(=O)C1CCN(c2ccc3nncn3n2)CC1 2325774903 DUGIXVJBBSGXRA-AWEZNQCLSA-N 371.489 1.235 0 50 FDAA CC(=O)N(C)CC(=O)N1CCC[C@H](NC(=O)CC2CC(F)(F)C2)[C@H]1C 2325794033 OUWROPDDNLAQJU-RISCZKNCSA-N 359.417 1.396 0 50 FDAA Ic1cc(N2CCN(Cc3ncc[nH]3)CC2)ncn1 2325802188 NZPZLGHPAXDIGQ-UHFFFAOYSA-N 370.198 1.127 0 50 FDAA CC[C@@H]1CCO[C@@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cn(C3CC3)nn2)C1 2325839151 KJUKTUYEOUEHIV-INWMFGNUSA-N 361.446 1.101 0 50 FDAA CC(=O)N[C@@]12CCOC[C@@H]1CN(C(=O)Cn1c(C)nc3ccccc31)C2 2325849441 PNEPMOGKGHMACJ-HNAYVOBHSA-N 356.426 1.098 0 50 FDAA CCOC(=O)CCCC[C@@H]1SC[C@@H](NC(=O)OC)[C@@H]1NC(=O)OC 3898617 GKCWBSANFAZKKX-MDZLAQPJSA-N 362.448 1.675 0 50 FDAA biogenic COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccncc2)cc1C 4413981 ZKACVYFBPIPZCT-ZDUSSCGKSA-N 363.439 1.382 0 50 FDAA O=C1C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)NC(N2CCOCC2)=N1 6719623 XCUVCCXXTXMIRD-LBPRGKRZSA-N 371.224 1.509 0 50 FDAA COC(=O)CCC(=O)N1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 59314138 FSDALBPIRMMYAZ-GOSISDBHSA-N 359.470 1.753 0 50 FDAA O=C(CCC(=O)N1CCCN(Cc2ccccn2)CC1)NC1CCCC1 55414449 HGPSCRUEVOYGOS-UHFFFAOYSA-N 358.486 1.955 0 50 FDAA COC(=O)CN1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)[C@@H](C)C1=O 55575572 WZDXYTZCKGRVAA-LBPRGKRZSA-N 360.389 1.422 0 50 FDAA NCC[C@@H]1CN(c2cnn(CCOCc3ccccc3)c(=O)c2)CCO1 23581705 NHSHMOQWOGNGRP-GOSISDBHSA-N 358.442 1.014 0 50 FDAA Cc1nc(CNC(=O)c2cc3n(n2)CCCN(C)C3)nc2c1CCCC2 65405675 DTUUEXPPGMBURR-UHFFFAOYSA-N 354.458 1.626 0 50 FDAA Cc1ccc(NC(=O)CNCCC(=O)N2CCN(C(C)C)CC2)c(C)c1 65464992 AYBKPOUMXGGBLJ-UHFFFAOYSA-N 360.502 1.774 0 50 FDAA COc1ccc(OCC(=O)N2CCCN(C)C3(CCN(C)CC3)C2)cc1 67847066 VXUOHMVQAOSCOW-UHFFFAOYSA-N 361.486 1.703 0 50 FDAA CC[C@@H](C(=O)N1CCN(C)CC1)N(c1ccc(OC)cc1)S(C)(=O)=O 65364685 AWABRZXUEVHTMD-INIZCTEOSA-N 369.487 1.014 0 50 FDAA CC(C)Cc1ncc2c(n1)CN(C(=O)c1cc(=O)nc3sccn13)C2 67771147 IVUCNBRWJZZTFJ-UHFFFAOYSA-N 355.423 1.901 0 50 FDAA CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)c1n[nH]c2ccc(Cl)cc12 331748944 ZNVKTQVYZVLVCV-BXKDBHETSA-N 370.862 1.664 0 50 FDAA Cc1ccc2c(c1)c(C(=O)N1CCN(C)C3(CCN(C)CC3)C1)nn2C 67755145 QPHHVDRITWDWTF-UHFFFAOYSA-N 355.486 1.734 0 50 FDAA O=C(NC[C@H](O)CO)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 67714147 AZCLGVFXEJYZCY-KRWDZBQOSA-N 373.453 1.212 0 50 FDAA COc1cncc(S(=O)(=O)N2CCOC[C@H]2[C@H]2CCCCC2=O)c1 282435870 BOEWPIIGWYFQIS-CABCVRRESA-N 354.428 1.239 0 50 FDAA O=C(Cn1nc2c(cc1=O)CCCC2)N1CCN(c2ccc(F)cc2)CC1 61719230 MSFRJJWHBLACKZ-UHFFFAOYSA-N 370.428 1.610 0 50 FDAA CCN1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC 1846088 NTJOBXMMWNYJFB-LBPRGKRZSA-N 369.487 1.285 0 50 FDAA biogenic,world Cc1nn(C)c2ncc(S(=O)(=O)NC[C@@H]3CCn4ccnc4C3)cc12 328643357 YUXIELNROVQTRZ-GFCCVEGCSA-N 360.443 1.014 0 50 FDAA CCc1c(NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)cnn1-c1ccccc1C 366414765 MLZVHSOQISGZNF-RDTXWAMCSA-N 356.426 1.663 0 50 FDAA CC(C)C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 368107671 NHEDQNWBKUVTMW-ZACQAIPSSA-N 373.501 1.845 0 50 FDAA CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)C(=O)NCC(F)F)CC2 444371545 MGIMNRJMKKVXDM-LLVKDONJSA-N 372.441 1.337 0 50 FDAA CCCN1CC2(CCN(C(=O)c3ccnc(NC)c3)CC2)C[C@@H]1C(=O)O 72454503 AEJGFMBHQISTOS-OAHLLOKOSA-N 360.458 1.915 0 50 FDAA Cc1ccc(N2CCC(C(=O)N3CCC[C@@H]3Cn3cncn3)CC2)nc1 370981241 YYDSSDNCWHXEJU-QGZVFWFLSA-N 354.458 1.889 0 50 FDAA NC(=O)[C@H]1CCO[C@@H]1C1CCN(C(=O)COc2ccc(F)cc2)CC1 284589903 OTUGBHIAWIZDRO-DOTOQJQBSA-N 350.390 1.334 0 50 FDAA O=C1CCN(CC(=O)N2CCC(Cc3nc4ccccc4[nH]3)CC2)C(=O)N1 333524454 WSLOWMOPUAWFOJ-UHFFFAOYSA-N 369.425 1.286 0 50 FDAA CCCc1ncncc1C(=O)N1C[C@@H](C(=O)O)C[C@@H](C(=O)N2CCCC2)C1 72149360 QLICPFAJCZHWHV-KGLIPLIRSA-N 374.441 1.214 0 50 FDAA CN1CCN(S(=O)(=O)c2ccc(NC(=O)C3CCCC3)cc2)CC1 35828035 HOPBKFIEXNUSGZ-UHFFFAOYSA-N 351.472 1.751 0 50 FDAA CCNC(=O)C[C@H]1CCCCN1C(=O)C1CCN(c2cnccn2)CC1 285030764 UQZPANSSIUIQER-MRXNPFEDSA-N 359.474 1.600 0 50 FDAA CCOCCn1c(=O)[nH]c2cc(C(=O)N(C)Cc3cc(C)[nH]n3)ccc21 77472554 BWZDETWXBUAEBJ-UHFFFAOYSA-N 357.414 1.670 0 50 FDAA NCCn1cc(C(=O)N(CCc2ccc(F)cc2)Cc2cccnc2)nn1 77453526 SUADZEFCJAZBGG-UHFFFAOYSA-N 368.416 1.656 0 50 FDAA CN(C)S(=O)(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 77440136 HWYDSUAZFCXGCK-QGZVFWFLSA-N 366.487 1.093 0 50 FDAA Cc1nc(CCNC(=O)Cn2nnc(-c3ccc(F)cc3)n2)sc1C 219212885 JTIDULVNUXAJPY-UHFFFAOYSA-N 360.418 1.911 0 50 FDAA CC(C)n1cc([C@]2(O)CCCN(C(=O)c3cccc4[nH]ncc34)C2)nn1 286066168 JIBOSSNTZOMUCF-SFHVURJKSA-N 354.414 1.859 0 50 FDAA COc1cccc(C(=O)N2CCC(C(=O)N3CCC[C@H](N)CC3)CC2)c1 72162869 STWDESYCYNJPSZ-KRWDZBQOSA-N 359.470 1.887 0 50 FDAA Cc1ccc(-c2ccnc(N3CCO[C@]4(CNCCOC4)C3)n2)c(C)n1 71750194 PTOMILYBHXUPOH-LJQANCHMSA-N 355.442 1.351 0 50 FDAA CN1CC2(CCN(Cc3nc(O)c4sccc4n3)CC2)C[C@@H]1C(=O)O 72143687 DOPFYTNRGOITAK-GFCCVEGCSA-N 362.455 1.768 0 50 FDAA CCN1C[C@H](C(=O)Nc2ncc(I)cc2C)CC1=O 175761403 IBEUQMBTNIEKMX-SECBINFHSA-N 373.194 1.802 0 50 FDAA CCCc1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(CO)cc2)[nH]n1 220729020 JSUMFLUSIPTLLA-SJLPKXTDSA-N 359.426 1.821 0 50 FDAA 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COc1ccnc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(C)CC3)C2)c1 95504780 YSUKFOUWXOTDJC-INIZCTEOSA-N 374.485 1.497 0 50 FDAA O=C([C@@H]1CCN(c2ccccc2)C1=O)N1CCC(Oc2ncccn2)CC1 95523930 IFHVUSQOGUMLQW-KRWDZBQOSA-N 366.421 1.900 0 50 FDAA NCCOc1cccc(CC(=O)NCc2nncn2C2CCCCC2)c1 426428348 PCNMUMPEOVPFFL-UHFFFAOYSA-N 357.458 1.980 0 50 FDAA COC(=O)c1cnc2c(c1)n(CCn1cnnc1)c(=O)n2C1CCCCC1 95364650 BSZBHQBHOKBPSL-UHFFFAOYSA-N 370.413 1.782 0 50 FDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(Cc1cccs1)CC2 95529806 BHXJFFDKXPHHBT-UHFFFAOYSA-N 360.483 1.994 0 50 FDAA O=C(O)[C@@H]1CN(C(=O)c2cc(-c3ccccc3F)[nH]n2)C[C@H]1c1ncc[nH]1 95521840 JXVJCTOZYFPNMX-VXGBXAGGSA-N 369.356 1.879 0 50 FDAA Cn1ncc(N2CCN(C[C@@H]3CCOc4ccccc4C3)CC2)cc1=O 95529085 OJCGXLZYEVSGPD-MRXNPFEDSA-N 354.454 1.544 0 50 FDAA Cc1cnc(C)c(N2CCC[C@H](c3nnc(Cn4cccn4)n3C)C2)n1 91624679 CGZOHXDJMWTYSL-HNNXBMFYSA-N 352.446 1.851 0 50 FDAA COCCN(C)CC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N2 95392280 BSYDQYSJCQECAG-KRWDZBQOSA-N 359.470 1.230 0 50 FDAA 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368.484 1.604 0 50 FDAA O=S(=O)(NCC1CC1)c1ccccc1S(=O)(=O)Nc1ccccn1 277121022 OELOWPPMVOPSMW-UHFFFAOYSA-N 367.452 1.571 0 50 FDAA CO[C@H]1C[C@H](C(=O)NCC[C@@H](C)[S@@](C)=O)N(C(=O)OC(C)(C)C)C1 170611234 WKIYFDXIQWRBKV-UZDBDGJJSA-N 362.492 1.284 0 50 FDAA CC(=O)NCCNC(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 190682936 AXQLRQZQBMYTBG-CQSZACIVSA-N 353.492 1.051 0 50 FDAA COc1ccc(F)cc1C(=O)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 225493031 QDLWXVNWNLGXLP-OCCSQVGLSA-N 362.401 1.924 0 50 FDAA CCCNC(=O)[C@@H]1CCCN(C(=O)c2c(C)nn(C)c2Br)C1 225762550 JOSVFEAXLSIZBF-LLVKDONJSA-N 371.279 1.869 0 50 FDAA Cc1ccn(CC(=O)NCC2(CN3CCOCC3)CCCCC2)c(=O)c1 194817346 OOLFNYAJKPPMDY-UHFFFAOYSA-N 361.486 1.556 0 50 FDAA Cc1noc(C)c1-c1ccc(S(=O)(=O)N[C@@H]2CN[C@H](C(=O)O)C2)s1 1506420595 LLTPDQVWUMTRRA-UWVGGRQHSA-N 371.440 1.113 0 50 FDAA COC[C@H]1CCCN(S(=O)(=O)NCc2ccc3c(c2)OCCCO3)C1 1506399872 KGOWEARKYISXKU-HNNXBMFYSA-N 370.471 1.541 0 50 FDAA O=C(COc1ccc2nncn2n1)N1CCC([C@H](O)c2cccs2)CC1 1506416630 HQRGXCQAQYPXEN-KRWDZBQOSA-N 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FDAA Cc1nsc2c1[C@H](c1ccc(CN(C)S(C)(=O)=O)o1)CC(=O)N2 65461398 LKBJFTSMUMVRAD-JTQLQIEISA-N 355.441 1.910 0 50 FDAA C[C@H]1OCCN(Cc2cc(Br)cc3c2OCC3)[C@@H]1C(N)=O 284554969 IANBCCVZOLCTQQ-RNCFNFMXSA-N 355.232 1.459 0 50 FDAA Cc1noc(C)c1CNC(=O)[C@@H]1[C@@H](C)OCC(=O)N1Cc1ccccc1 284519625 CQOGTGKDAVFMMK-KDOFPFPSSA-N 357.410 1.724 0 50 FDAA Nc1nc(N2CCOCC2)cc(N2CCC(CC3CC3)(C(=O)O)CC2)n1 71746183 CAHLBOHTMVMDPD-UHFFFAOYSA-N 361.446 1.367 0 50 FDAA CN(C)c1nccc([C@H]2CN(C(=O)c3ccn4cncc4c3)CCO2)n1 328617392 CQRJODULCQYKJO-MRXNPFEDSA-N 352.398 1.404 0 50 FDAA Cc1ccc(F)c(C(=O)N(CC(=O)O)C2CCN(S(C)(=O)=O)CC2)c1 328630731 JQEBKAPQEKNKAE-UHFFFAOYSA-N 372.418 1.085 0 50 FDAA O=C(NCCN1CCN(c2ncccn2)CC1)c1ccc2ncccc2c1 126391277 KLFIMIKKROPQPX-UHFFFAOYSA-N 362.437 1.577 0 50 FDAA O=C([C@@H]1CCCN(Cc2ccccc2)C1)N1CCC[C@@H](N2CCNC2=O)C1 363438309 JAAZWTOIDWWVKY-RTBURBONSA-N 370.497 1.915 0 50 FDAA CCN1CCN(CCOc2ccccc2CN2CCc3[nH]ncc3C2)CC1 215226236 BUIWSHFHHBAUKZ-UHFFFAOYSA-N 369.513 1.984 0 50 FDAA CN1CCN(c2ccc(CNC(=O)N3CC[C@]4(CCOC4)C3)cn2)CC1 156929062 NBYABBGHWOATDT-IBGZPJMESA-N 359.474 1.155 0 50 FDAA CC(C)N(C)S(=O)(=O)c1ccc2c(c1)CCN(C(=O)c1cnccn1)C2 77421898 FLFIVRMJOJQBJR-UHFFFAOYSA-N 374.466 1.704 0 50 FDAA Cn1nnc(CN2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)n1 333366989 YHWJTGXMNUZGCK-RDTXWAMCSA-N 351.414 1.814 0 50 FDAA CS(=O)(=O)c1ccc(OCCCC(=O)N2CCCC[C@@H]2C(=O)O)cc1 262511874 BMTBYBHHOQPMAT-OAHLLOKOSA-N 369.439 1.715 0 50 FDAA Cn1ncc2c(NCCc3nnc(N)s3)nc(-c3cccnc3)nc21 72152161 VABJHUFPPOTACW-UHFFFAOYSA-N 353.415 1.514 0 50 FDAA CCn1c(CN(C)C)nnc1C1CCN(C(=O)c2cc(C)nn2C)CC1 77297773 UNMPOZZBKRALCV-UHFFFAOYSA-N 359.478 1.421 0 50 FDAA O=C1OCCN1CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 72167294 BGTVFPBYAUXKNQ-QXAKKESOSA-N 373.428 1.667 0 50 FDAA Cc1cc(C)n2c(C(=O)N3CCC[C@@H](OCc4ccccn4)C3)nnc2n1 215692882 RUNQXBOXMPDJLT-MRXNPFEDSA-N 366.425 1.958 0 50 FDAA CS(=O)(=O)N(CC(=O)Nc1ccccc1C(N)=O)c1cccc(F)c1 71754826 YXIAZKDZDXLIQY-UHFFFAOYSA-N 365.386 1.329 0 50 FDAA CC[C@@H]1CN(c2nc(-c3ccc(C(N)=O)cc3)nc3c2CCNC3)CCN1 71750470 MLFLFSRBEWXSTN-OAHLLOKOSA-N 366.469 1.076 0 50 FDAA Cc1cc(N)n(CC(=O)N2CCn3nc([C@@H](O)c4ccccc4)cc3C2)n1 219814485 RFSJJOYKQHSBTP-IBGZPJMESA-N 366.425 1.094 0 50 FDAA Cn1nc2n(c1=O)C[C@@H](C(=O)NCCCc1nc3ccccc3o1)CC2 220642426 SWLKHOPQTLXENC-LBPRGKRZSA-N 355.398 1.034 0 50 FDAA O=C(Cc1ccc2c(c1)CCO2)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 225417155 FGFPRIHPLWORQS-WBVHZDCISA-N 350.418 1.972 0 50 FDAA biogenic Cc1c(C(=O)NCCc2c[nH]c3ccccc23)nnn1C1CCNCC1 178308194 LIKJFLYGIDKDEF-UHFFFAOYSA-N 352.442 1.965 0 50 FDAA CC(C)c1nc2ccc(NC(=O)N3CCN(S(C)(=O)=O)CC3)cc2[nH]1 426387622 JRDFQFNNUVLSFS-UHFFFAOYSA-N 365.459 1.795 0 50 FDAA O=C(CCn1ccccc1=O)N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1 222901690 OVZBYJIUAVJHOT-IAGOWNOFSA-N 360.385 1.730 0 50 FDAA C[C@H](Cc1ccccn1)NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 221175336 LNDVXAXONUDVPG-CYBMUJFWSA-N 365.430 1.734 0 50 FDAA CCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2cn(C)c3ccccc23)C1 222678001 ZVFGAFKGXJJVGL-JOCQHMNTSA-N 353.426 1.958 0 50 FDAA Cc1cccc2nc(CNC(=O)C[C@H]3C(=O)NCCN3CC(C)(C)C)cn12 20914656 YILLQEHKQAUMCT-INIZCTEOSA-N 371.485 1.496 0 50 FDAA O=C(COC[C@@H]1CCCCO1)N1CCN(c2ccc3[nH]ncc3c2)C(=O)C1 82087293 WIKIPILWSMKXEH-INIZCTEOSA-N 372.425 1.324 0 50 FDAA COc1ccnc(-c2ccc(C(=O)N3CC[C@]4(CN(C)C(=O)O4)C3)cc2)n1 426494420 NCWJSJMDXDZIIC-IBGZPJMESA-N 368.393 1.819 0 50 FDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(c1ncccc1C(N)=O)CC2 95509326 WLHWCNWVXHSHMD-UHFFFAOYSA-N 368.441 1.194 0 50 FDAA NS(=O)(=O)c1ccc(F)c(C(=O)NCCSc2ccccn2)c1 91351171 YJQQSVYVFHKSJS-UHFFFAOYSA-N 355.416 1.390 0 50 FDAA COc1ccc(CC(=O)N2C[C@H](CO)[C@H](CN3CCCC3)C2)cc1OC 91943113 XNCLNOKYGUJTNL-IAGOWNOFSA-N 362.470 1.409 0 50 FDAA COCCc1noc([C@H]2CCCN2C(=O)c2cnc(C3CC3)[nH]c2=O)n1 91643855 XVDRLYZAMQVBPW-GFCCVEGCSA-N 359.386 1.197 0 50 FDAA COc1ccccc1CCC(=O)N1C[C@H]2CC[C@@H]1CN(S(C)(=O)=O)C2 95387549 WAGXOSUYAQVNBZ-GOEBONIOSA-N 366.483 1.510 0 50 FDAA O=C(c1coc(CN2CCOCC2)c1)N1CCN(c2nccs2)CC1 91808360 DQLNJQWNMFSREV-UHFFFAOYSA-N 362.455 1.531 0 50 FDAA O=C(Cn1nccc1[C@@H]1CCCNC1)NCCc1cn2ccccc2n1 426517841 MVDSJINEAFJHLF-OAHLLOKOSA-N 352.442 1.357 0 50 FDAA O=S1(=O)CCN(Cc2ccc(-c3nc([C@@H]4CCOC4)no3)cc2)CC1 96180617 ROUQREYPWIXOSJ-OAHLLOKOSA-N 363.439 1.471 0 50 FDAA Cc1c(C(=O)N2CCc3[nH]cnc3[C@@H]2c2ccccn2)cnc2ccnn12 97272354 AYPLFLRBFQBWOA-SFHVURJKSA-N 359.393 1.944 0 50 FDAA Cc1n[nH]c(C)c1[C@@H](N)C(=O)NCCc1nccc(-c2ccccc2)n1 91616919 RYCYBXLCVXUBPS-GOSISDBHSA-N 350.426 1.842 0 50 FDAA Cc1nc(C)n(CCCNC(=O)c2ccc(C)c(N3CCNC3=O)c2)n1 91325811 LJFPGMHUZIWRAM-UHFFFAOYSA-N 356.430 1.553 0 50 FDAA CN1CC[C@@H](N2CC3(CCC2=O)CCN(c2ncccc2C(N)=O)CC3)C1 91793631 AFACUJDAGAOZJN-OAHLLOKOSA-N 371.485 1.094 0 50 FDAA Cc1cccc([C@H](C(=O)NCc2nc(-c3ncccn3)no2)N(C)C)c1 91820277 KGHBOYCHDWZSLD-OAHLLOKOSA-N 352.398 1.754 0 50 FDAA CCc1ocnc1C(=O)N1CCC2(CCC(=O)N([C@H]3CCN(C)C3)C2)CC1 91694630 BMMZEXKMYZDQBK-HNNXBMFYSA-N 374.485 1.786 0 50 FDAA CCN1CCN(C[C@@H]2CN(Cc3ccc(F)c(OC)c3)C[C@@H]2CO)CC1 95357613 STYMBBQOYCTTGG-QZTJIDSGSA-N 365.493 1.512 0 50 FDAA COc1cncc([C@H](NC(=O)c2ccn3cnnc3c2)[C@H]2C[C@@H](O)C2)c1 244787548 PZESSFNNVQGBDX-HACGYAERSA-N 353.382 1.375 0 50 FDAA O=C(NCc1ccccc1CN1CCCC1=O)c1ccc(C(=O)O)nc1 298285998 VJTASWBXCOEBJP-UHFFFAOYSA-N 353.378 1.832 0 50 FDAA COc1ccccc1C1(CNC(=O)N2CCN3C(=O)NC[C@H]3C2)CCC1 185209717 ABTILJXMHPCHCV-AWEZNQCLSA-N 358.442 1.536 0 50 FDAA O=C(c1cc(=O)c2ccccc2o1)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 299763758 QZSNVYKYWXJXAO-BBRMVZONSA-N 352.350 1.371 0 50 FDAA CN(CCCc1nccn1C)C(=O)Nc1cccc(S(N)(=O)=O)c1 299789723 AHBAQPAHEZMNHA-UHFFFAOYSA-N 351.432 1.164 0 50 FDAA C[C@@H]1Oc2cc(NC(=O)NCc3nnc4n3CCC4)ccc2N(C)C1=O 299768970 KOTAQQIABKTXIB-JTQLQIEISA-N 356.386 1.290 0 50 FDAA Cc1ccc2oc(=O)n(CCC(=O)N[C@H]3COC[C@@H]3N3CCCC3)c2c1 299773954 GNYQXIJKUIVOIC-HOCLYGCPSA-N 359.426 1.272 0 50 FDAA Cc1cc(N)n(CC(=O)N2CCC[C@H](CNC(=O)c3oc(C)nc3C)C2)n1 825302646 UVMSIDKYFAIBSP-CQSZACIVSA-N 374.445 1.047 0 50 FDAA O=C(Cc1n[nH]c2ccccc12)NC[C@@H](c1ccccn1)N1CCOCC1 827857669 WAJVGEINJNXYGT-IBGZPJMESA-N 365.437 1.690 0 50 FDAA CC(C)c1c[nH]nc1C(=O)N1C[C@@H]2C[C@H](C1)CN2C(=O)Cc1cnco1 1875407782 HSYVBCUZBCELPX-OLZOCXBDSA-N 357.414 1.437 0 50 FDAA Cc1nnc2c(=N[C@H](C)c3cccc(N4CCCS4(=O)=O)c3)[nH]ccn12 1875261109 GHXVCYCVBQQWQT-GFCCVEGCSA-N 372.454 1.568 0 50 FDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCCN(c4ncccn4)CC3)n[nH]c21 1875394767 WDZLZACORPULNL-OLZOCXBDSA-N 356.430 1.574 0 50 FDAA Cn1c(=NCCNS(=O)(=O)c2cccc(Cl)c2)[nH]c2ccncc21 1875317128 OCCAJIFFURVQMI-UHFFFAOYSA-N 365.846 1.434 0 50 FDAA Cc1cccc(Cl)c1C(=O)NC[C@H](C)NC(=O)[C@H]1CCCC(=O)N1 1875327420 VOFGXWXPJUZCAV-WCQYABFASA-N 351.834 1.552 0 50 FDAA Cn1ncc2c1CCN(C(=O)CCc1ccc(Cl)s1)[C@H]2C(N)=O 1875394426 INXCYEDPZYSABT-CQSZACIVSA-N 352.847 1.679 0 50 FDAA Cn1nc2c(c1CN[C@@H]1C[C@@H](Cn3cc(Cl)cn3)C[C@H]1O)COCC2 1875399685 HJYAMCQOALKURD-RGYTYGDFSA-N 365.865 1.272 0 50 FDAA CO[C@@H]1CCCN(C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 888093272 AXDSIKQECQRRIL-ZIAGYGMSSA-N 359.492 1.154 0 50 FDAA Nc1ncc2c(n1)CN(C(=O)Cn1nc(C(F)(F)F)c3c1CCC3)CC2 1347191524 VVPMNVOTKXXMAZ-UHFFFAOYSA-N 366.347 1.348 0 50 FDAA Cc1nc2ccccc2n1CCNC(=O)[C@H]1CC12CCS(=O)(=O)CC2 274887117 KPMRQQVJJNXREM-CQSZACIVSA-N 361.467 1.676 0 50 FDAA CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCc1cccc2c1OCCCO2 170088945 IDSWARUILPYNCI-HUUCEWRRSA-N 354.472 1.798 0 50 FDAA COC(=O)[C@@H]1CCN2C(=O)N(c3ccc(O[C@H]4CCOC4)cc3)C(=O)[C@H]2C1 278178951 QOQYQUUGCVCFJT-UHOFOFEASA-N 374.393 1.575 0 50 FDAA O=C(CN1CCC[C@@H]1[C@@H](O)C(F)(F)F)NC[C@@H]1COc2ccccc2O1 408512872 KSPYEXPRLKGGJO-XHBSWPGZSA-N 374.359 1.330 0 50 FDAA CN(C)c1ccncc1C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O 192217444 FUHKWITZUPFDMV-MRXNPFEDSA-N 356.401 1.818 0 50 FDAA C[C@H]1NCCC[C@@H]1NC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 193592079 NTBDEIGOPGZQKW-KOLCDFICSA-N 354.336 1.551 0 50 FDAA CCc1nc(CN2CCCN(C(=O)c3ccc(N(C)C)nc3)CC2)n[nH]1 1704351682 IVFWDCIEGZGMJW-UHFFFAOYSA-N 357.462 1.176 0 50 FDAA COCCCN1C(=O)CC[C@@H]2CN(C(=O)C3(COC)CCC3)CC[C@@H]21 217064114 KGNNOEFOEITKHO-CVEARBPZSA-N 352.475 1.679 0 50 FDAA COc1ccc(CN2CCN(C)C3(CCOCC3)C2)cc1Cn1cncn1 1775983911 VKPNCXVZLAISJB-UHFFFAOYSA-N 371.485 1.632 0 50 FDAA CC(C)Cc1cc(C(=O)N2CCCN(C(=O)c3cccn3C)CC2)n[nH]1 1772703855 FUAIITOAKXXKLM-UHFFFAOYSA-N 357.458 1.935 0 50 FDAA C[C@H](Cn1cccn1)N1CCCN(C(=O)c2ccn(C(F)F)n2)CC1 1775983242 JEABNDSABGKATB-CYBMUJFWSA-N 352.389 1.711 0 50 FDAA O=C1C[C@H](NS(=O)(=O)c2ccsc2)CN1CCc1ccccc1 14959725 PBEDLOVTVSOHSE-AWEZNQCLSA-N 350.465 1.870 0 50 FDAA COc1cc2c(cc1CN1CCC3(CC1)CC(=O)NCCO3)OCCO2 1857702904 SYYLGLYZHLMGPW-UHFFFAOYSA-N 362.426 1.338 0 50 FDAA CN(C)C(=O)C[C@H]1CN2C[C@@H](Nc3ncnc4ccsc34)C[C@H]2CO1 1857714999 WQMMMHOQHINXBH-AVGNSLFASA-N 361.471 1.423 0 50 FDAA COCC(=O)NC[C@H]1[C@H]2CN(C/C=C/c3ccccc3)C[C@]23CC[C@H]1O3 1857730704 ZBKNLFPAXAPZTO-RSEJSRIYSA-N 356.466 1.942 0 50 FDAA Cc1ccc(-c2noc(CCCC(=O)N3CC[C@H](CO)[C@H](O)C3)n2)cc1 1857735570 FNHRLRGWRDXDSG-HZPDHXFCSA-N 359.426 1.569 0 50 FDAA NC(=O)Cc1nc(-c2cccc(-c3ncc[nH]3)c2)n(CC(F)(F)F)n1 1857737476 NVWNQPBHVZYMAT-UHFFFAOYSA-N 350.304 1.925 0 50 FDAA Cc1cc(C)n(CC(=O)N=c2nc3nc(C)c(CC(C)C)c(O)n3[nH]2)n1 1875241295 UDJWNOSSPBPEBK-UHFFFAOYSA-N 357.418 1.211 0 50 FDAA Cc1ccc(C)n1-c1nc(CC(=O)N2CC[C@@H]3OCC(=O)N[C@@H]3C2)cs1 225482252 XKOSOEMJORPLDJ-CABCVRRESA-N 374.466 1.209 0 50 FDAA Cc1c(C(N)=O)sc2ncn(CC(=O)Nc3ccccc3F)c(=O)c12 5000986 PUTLPNBVMKJQHK-UHFFFAOYSA-N 360.370 1.643 0 50 FDAA CN1CC[C@@H](C(=O)N(CC(=O)O)Cc2ccc(C(F)(F)F)cc2)CC1=O 138434494 JAVWAMJJWBEBEI-GFCCVEGCSA-N 372.343 1.987 0 50 FDAA NC(=O)[C@H]1CCCN1C1CCN(Cc2ncnn2-c2ccccc2)CC1 368529963 HCVAFBAEYJZPEM-QGZVFWFLSA-N 354.458 1.181 0 50 FDAA COCCOc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)O)C1 262413251 PSDCJUKJEAKCJS-NSHDSACASA-N 361.391 1.336 0 50 FDAA CN(C)c1nc2sc(C(=O)NC3(C(N)=O)CCOCC3)cc2s1 378213694 XFMXVEFSGOJPGQ-UHFFFAOYSA-N 354.457 1.188 0 50 FDAA Cc1ccc(F)c(C(=O)N2C[C@H]3COC[C@@H]2CN(CC(=O)O)C3)c1F 1704304929 OYQOOLGFJHXIKK-RYUDHWBXSA-N 354.353 1.131 0 50 FDAA C[C@]1(C(=O)N2CCc3ccc(S(C)(=O)=O)cc3CC2)CC[C@H](N)C1 2325795447 GGEADIKIMYQPRE-YJBOKZPZSA-N 350.484 1.535 0 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0 50 FDAA COc1cc(C)ccc1C(=O)N1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 77379378 FHOUHMAHILAPAC-FQEVSTJZSA-N 360.454 1.841 0 50 FDAA Cc1ccc(/C=C/S(=O)(=O)N[C@H]2CCCN(c3ccnn3C)C2=O)cc1 328609918 GDHMELOMHXYVBV-ISBHARSQSA-N 374.466 1.814 0 50 FDAA CN(Cc1nccc(N)n1)[C@@H]1CCCN(C(=O)c2cccnc2O)CC1 328634673 MWQLHNNCDZUXFQ-CYBMUJFWSA-N 356.430 1.286 0 50 FDAA CCOCC1(CNC(=O)c2cccc(S(=O)(=O)N3CCC3)c2)CC1 216527732 IYOIWHLAJVKINL-UHFFFAOYSA-N 352.456 1.628 0 50 FDAA CCOC(=O)N1CCCn2nc(CN3CCCN(C(C)=O)CC3)cc2C1 72432542 WYUFOCNKTAHGCC-UHFFFAOYSA-N 363.462 1.300 0 50 FDAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2ccccn2)c1 72164917 ZYMFOAQFFKOEHV-SFHVURJKSA-N 368.437 1.097 0 50 FDAA COc1c[nH]c(CN2CCC3(CC2)c2ccccc2[C@@H](OC)[C@@H]3O)cc1=O 72169442 WSWWDSVBQHBOFV-UXHICEINSA-N 370.449 1.979 0 50 FDAA O=C1CCCN1c1ccc(F)c(C(=O)N2CCOC[C@@H]2c2nc[nH]n2)c1 367641467 FVJYNLQZWIZBSV-CQSZACIVSA-N 359.361 1.284 0 50 FDAA CN(Cc1csc(-c2ccccc2)n1)C(=O)C1CC2(C1)NC(=O)NC2=O 72418438 ZPVNHVQRODQDSR-UHFFFAOYSA-N 370.434 1.757 0 50 FDAA O=C(NC1CCN(C[C@@H]2CCOC2)CC1)N1C[C@]2(CCCO2)[C@@H]1C1CC1 333795112 FDGLOHZINOCDMM-ZAAXVRCTSA-N 363.502 1.840 0 50 FDAA Cc1nccn1CCC(=O)N1CCOC[C@H]1CC(=O)Nc1ccccc1F 72421369 UCEAFGGGCLSVMY-OAHLLOKOSA-N 374.416 1.977 0 50 FDAA O=C1N(Cc2ccccc2)CCC12CCN(C[C@]1(O)CCCNC1)CC2 72423193 JHIUDUOAZSNLCW-NRFANRHFSA-N 357.498 1.616 0 50 FDAA O=C(NCc1ncc[nH]1)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71738482 JSUOCQLCMPIUKO-HNNXBMFYSA-N 359.474 1.139 0 50 FDAA O=C(C[C@H]1CNCCO1)N1CCC(c2cc(N3CCCC3)ncn2)CC1 72412021 PBFJORMFSZYBFH-INIZCTEOSA-N 359.474 1.161 0 50 FDAA CCNc1ncc(C(=O)N2CCc3c(nc(N(C)C)nc3N(C)C)C2)cn1 71754451 ZZWBSGALJDBFIW-UHFFFAOYSA-N 370.461 1.029 0 50 FDAA COc1ccccc1CN1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)CC1 76227508 YTWOJRSMRQRIOM-MRXNPFEDSA-N 360.458 1.130 0 50 FDAA O=C(Cn1ccc2ccc(Br)cc21)NCCN1CCOCC1 40268060 CEPXCLOTVPPFHQ-UHFFFAOYSA-N 366.259 1.852 0 50 FDAA O=C(c1cncc(CC[C@@H]2COc3ccccc3O2)n1)N1CCOCC1 220703282 PUNOYSJEHKGIMF-OAHLLOKOSA-N 355.394 1.722 0 50 FDAA C[C@@H]1NC(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)=NN(c2ccccc2)C1=O 131062328 JDQAYPTUNNDMBI-AFAVFJNCSA-N 364.405 1.099 0 50 FDAA COCCN1C[C@H](CNc2nccc(-c3c(C)nn(C)c3C)n2)CC1=O 48302745 SUAUQUJNDZSUPT-AWEZNQCLSA-N 358.446 1.401 0 50 FDAA Cc1nnnn1-c1cc(NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)O)C2)ccc1F 263485615 MMTDSNCCRKFYQH-APPDUMDISA-N 374.376 1.828 0 50 FDAA COc1ccc(CCC(=O)N2CCCN(C(=O)c3c[nH]nn3)CC2)cc1 194877532 JUEUOXAAJYWUKD-UHFFFAOYSA-N 357.414 1.121 0 50 FDAA Cc1nc(C(C)C)ncc1C(=O)N1CCN([C@H]2CN3CCC2CC3)CC1 82109424 NQRRDIGPRKLMPV-SFHVURJKSA-N 357.502 1.760 0 50 FDAA CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)c1ccc(-n2cnnc2)nc1 82100119 BWBUWRVBVOUHTN-SFHVURJKSA-N 362.437 1.791 0 50 FDAA CN(C)C(=O)CO[C@@H]1COCC[C@H]1NC1CCN(Cc2ccco2)CC1 223793853 LUVYIELPVVFSTN-QZTJIDSGSA-N 365.474 1.096 0 50 FDAA Cc1[nH]nc(CCC(=O)N2CCC[C@H](c3ccn(CC(=O)O)n3)C2)c1C 426445179 WZDQWLFGIHLTOW-AWEZNQCLSA-N 359.430 1.646 0 50 FDAA CSc1ccc(CC(=O)N[C@@H]2CCOC[C@H]2OCC(=O)N(C)C)cc1 222458961 LPZBARBLZLUHMI-HZPDHXFCSA-N 366.483 1.330 0 50 FDAA COc1cccc(C(=O)N2CCC3(CC2)C[C@H](C(=O)O)N(C(C)=O)C3)c1C 82138570 BMACNNJXRPRLTG-MRXNPFEDSA-N 374.437 1.931 0 50 FDAA CC(=O)N1CCCn2nc(CNC(=O)CCc3c(C)nn(C)c3C)cc2C1 82162011 GFVIAXYZWDDTRF-UHFFFAOYSA-N 372.473 1.235 0 50 FDAA COc1cccc2c1NC(=O)C[C@H]2C(=O)NCc1nc(C(F)(F)F)n[nH]1 426505689 HGUMOBIENXSXNX-MRVPVSSYSA-N 369.303 1.574 0 50 FDAA COc1ccc2c(c1)[C@@H](C(=O)N1CCN(c3cccnc3)CC1)CC(=O)N2 91964878 JOPIOGKVFGAEBA-KRWDZBQOSA-N 366.421 1.865 0 50 FDAA O=C(c1c[nH]c(=O)cc1O)N1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 91707055 VGNSJEOUQPTKEH-GOEBONIOSA-N 371.412 1.956 0 50 FDAA CCc1noc(CNC(=O)N2CCN(c3cccc(OC)c3)C(=O)[C@H]2C)n1 426597462 XMUXHXDRSSKDQP-GFCCVEGCSA-N 373.413 1.588 0 50 FDAA Cc1cnn(CC(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)c1 92046431 VASLBQYBMSRLQX-DOTOQJQBSA-N 353.426 1.350 0 50 FDAA CC(C)n1cc(CN(C)C(=O)[C@@H](c2cccnc2)N2CCOCC2)cn1 97087990 DMVLNWBBAXOBKO-GOSISDBHSA-N 357.458 1.891 0 50 FDAA COC1CCN(S(=O)(=O)N2CC[C@H](Cc3cccc(CO)c3)C2)CC1 91965861 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358.486 1.421 0 50 FDAA Cc1nc(-c2ccc(S(=O)(=O)N3CCN[C@@H](C(=O)O)C3)s2)cs1 71747622 ULBHZDCDQFWKJR-SECBINFHSA-N 373.481 1.227 0 50 FDAA CC(=O)N1CCC2(CC1)C[C@H](C(=O)O)N(Cc1ccc(CC(=O)O)cc1)C2 72474613 NJICJAWEEZRSDN-QGZVFWFLSA-N 374.437 1.601 0 50 FDAA CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H](CC(N)=O)C2)c1 377188784 GAZLAXIEEYSRFW-SNVBAGLBSA-N 358.847 1.471 0 50 FDAA O=C1CC[C@@]2(CCCN(CCOCCO)C2)CN1CCc1ccccc1 77490156 OHALQMYBRRSKHP-OAQYLSRUSA-N 360.498 1.943 0 50 FDAA Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCCO)C1 72424188 FEROTFHQDWUUJU-ZWKOTPCHSA-N 359.470 1.900 0 50 FDAA COC(=O)[C@@H]1CCN2C(=O)N(c3cc4c(cc3Cl)OCO4)C(=O)[C@H]2C1 285896690 HHVZSALBFQOIJK-LDYMZIIASA-N 366.757 1.789 0 50 FDAA c1cncc(-c2nc3c(c(N4CCN5CCC[C@@H]5C4)n2)CCNCC3)c1 72454801 QTQJIWIPNFQAMA-MRXNPFEDSA-N 350.470 1.511 0 50 FDAA O=C(NC1CCN(C(=O)N2CCOCC2)CC1)c1ncc(F)cc1F 219900088 OPUSDYPBFPEAEM-UHFFFAOYSA-N 354.357 1.006 0 50 FDAA COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)[C@H]1C[C@H](O)CN1C(C)=O 286855240 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CC[C@@H](OC1CCCC1)C(=O)N1CC[C@@H](N(C)Cc2nccc(N)n2)C1 328628614 HJQXGGHERLNMKL-GDBMZVCRSA-N 361.490 1.829 0 50 FDAA CCN1CCC[C@@H](CN(C)C(=O)Cn2ccccc2=O)[C@@H]1c1cnn(C)c1 328622157 IEKPWUMRGIOUIJ-OXJNMPFZSA-N 371.485 1.513 0 50 FDAA COc1ccc(-c2n[nH]cc2C(=O)N2CCO[C@H](c3nc(C)n[nH]3)C2)cc1 173605846 QIRMEUPVSGYWTQ-HNNXBMFYSA-N 368.397 1.726 0 50 FDAA Cn1cc(S(=O)(=O)Nc2ncn(Cc3cccc(Cl)c3)n2)cn1 2804041 OAFNIPFTIPBBAM-UHFFFAOYSA-N 352.807 1.514 0 50 FDAA Cn1cc(N2CC[C@H](N3CC[C@@](O)(Cc4cccc(Cl)c4)C3)C2=O)cn1 328987234 DTBJSUJKARFATC-PKOBYXMFSA-N 374.872 1.858 0 50 FDAA NCC(=O)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 72159383 OQKQMIMIDVPTES-INIZCTEOSA-N 370.419 1.777 0 50 FDAA CC(=O)[C@@](C)(O)CN1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 330837416 MCUQJDNQDWUONN-INIZCTEOSA-N 358.360 1.803 0 50 FDAA C[C@@H]1CCc2ccccc2N1C(=O)CN1CCC[C@@H](c2n[nH]c(=O)o2)C1 284426729 YGWWVZYJHBCUBL-UKRRQHHQSA-N 356.426 1.910 0 50 FDAA Oc1n[nH]c2c1CCN(Cc1cc3n(n1)CCN(Cc1ccoc1)C3)CC2 72409811 VRZKWSZSLOTSSN-UHFFFAOYSA-N 368.441 1.521 0 50 FDAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)Cn2cnc(C)c2C)C3)cn1 218882988 OQQBBIYMIMSORH-UHFFFAOYSA-N 366.425 1.879 0 50 FDAA Cc1cc(N2CCC[C@H](NC(=O)c3nn(C)c4c3CCCC4)C2)n(C)n1 333453364 SFZNOLSTCUAJEP-AWEZNQCLSA-N 356.474 1.740 0 50 FDAA CN(C)Cc1nnc([C@H]2CCCN(C(=O)CSCC3CC3)C2)n1C 72422570 SVPFQWGIGJPOGA-AWEZNQCLSA-N 351.520 1.726 0 50 FDAA c1cnc(N2CCN(Cc3cnc(NC[C@H]4CCCO4)nc3)CC2)cn1 215613388 PFZNZDBDXKKJMD-MRXNPFEDSA-N 355.446 1.180 0 50 FDAA CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCCC[C@@H]2[C@@H](C)N)cc1 237349888 AZASNSLMEIVDEU-KFUCAUQGSA-N 351.472 1.336 0 50 FDAA C[C@H]1CN(C(=O)NC2CCC(CS(C)(=O)=O)CC2)CCN(C2CC2)C1 334099647 VKTNZBDGHKCKRQ-QQFBHYJXSA-N 371.547 1.716 0 50 FDAA O=C(O)CN(Cc1ccc(F)cc1)C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 263015617 SRBHOHNPYHHWME-HNNXBMFYSA-N 362.401 1.888 0 50 FDAA Cc1nn(CC(=O)NCCc2ccncc2)c(=O)n1Cc1ccccc1 77354250 RPTABSYESFYMES-UHFFFAOYSA-N 351.410 1.155 0 50 FDAA CC[C@@H]1CN(C(=O)c2cc(=O)[nH]c(O)n2)CCC(=O)N1Cc1ccccc1 71753162 DAQKBGQPIDKZIU-CQSZACIVSA-N 370.409 1.129 0 50 FDAA Cc1nc[nH]c1C(=O)N1CCC(c2nnc(CN3CCCC3)n2C)CC1 77354029 GIVUHFINLXBVNZ-UHFFFAOYSA-N 357.462 1.462 0 50 FDAA Cc1ccccc1Cc1nnc(CN2CC[C@]3(C2)NC(=O)N(C)C3=O)o1 378163007 YXYACRPRURGWTG-GOSISDBHSA-N 355.398 1.095 0 50 FDAA Cc1ccc([C@H](C)NC(=O)CN2CCn3nc(CCC(=O)O)cc3C2)cc1 72173889 BFBCYKXVYVMSNW-HNNXBMFYSA-N 370.453 1.902 0 50 FDAA CNCCCc1n[nH]c(NC(=O)c2cnn3c(C)cc(C)nc23)c1C#N 133472841 SHDJKJAEXRKPCZ-UHFFFAOYSA-N 352.402 1.345 0 50 FDAA O=C(COc1ccccc1Cl)NCc1cc(N2CCOCC2)ncn1 72454747 OCXBHMXIIXOVSU-UHFFFAOYSA-N 362.817 1.662 0 50 FDAA CN(C)C(=O)c1cccc(CN2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)c1 285527985 OYUNNBMVJRUQQE-ZWKOTPCHSA-N 359.470 1.491 0 50 FDAA Cc1cnn(C2(C(=O)O)CCN(Cc3cccc(OCCO)c3)CC2)c1 72426377 PWBGDXNQNKPTDU-UHFFFAOYSA-N 359.426 1.639 0 50 FDAA O=C(NCCCNS(=O)(=O)c1cnn(-c2ccccc2)c1)C1CCC1 176914810 GRRFSUTYABMPNZ-UHFFFAOYSA-N 362.455 1.457 0 50 FDAA CCCc1nnc(NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)s1 82138411 KSUUUZHPYGMHQQ-UHFFFAOYSA-N 370.504 1.465 0 50 FDAA Cc1cccc(S(=O)(=O)N2CCC(Cn3cc(CO)nn3)CC2)c1 82039658 AYXNWTOAYYVMCL-UHFFFAOYSA-N 350.444 1.180 0 50 FDAA COCc1cccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)n1 220308360 JTLVVXAMBGIDGK-SJLPKXTDSA-N 357.410 1.727 0 50 FDAA Cc1cc(C(=O)NCc2cc(CC(C)C)no2)c2c(=O)[nH]c(=O)n(C)c2n1 220149309 JFFQAHIQRJARQF-UHFFFAOYSA-N 371.397 1.047 0 50 FDAA CCc1ccc(CN2CCc3c(C(=O)N(C)CC(N)=O)csc3C2)nc1 426420528 GAPYVIDJQJMBOP-UHFFFAOYSA-N 372.494 1.821 0 50 FDAA Cc1cccc(-c2noc([C@@H](C)NC(=O)CCn3ccc(=O)[nH]c3=O)n2)c1 220550542 RBTXPKVDJQSKQD-GFCCVEGCSA-N 369.381 1.163 0 50 FDAA C[C@@H]1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)CCCn1cncn1 82138893 FZQWQBYZBBKBPJ-CYBMUJFWSA-N 361.833 1.976 0 50 FDAA NS(=O)(=O)c1ccccc1-c1cccc(C(=O)N2CC[C@H]3CNC[C@H]32)c1 426546311 ZAGRXDMFPGORPP-DOTOQJQBSA-N 371.462 1.435 0 50 FDAA COc1ccc(C(=O)N2CCC3(CC2)NC(=O)C[C@H]3C(=O)O)cc1F 91690615 ZPAMLTNXKGVIMX-NSHDSACASA-N 350.346 1.030 0 50 FDAA COc1cccc([C@@H]2CN(C(=O)C3CCN(C(C)=O)CC3)C[C@H]2C(=O)O)c1 91621258 KXQJIFLLQLTFPH-ZWKOTPCHSA-N 374.437 1.580 0 50 FDAA CN(Cc1nc(C2CC2)no1)C(=O)NC[C@@H]1CCCN(c2ncccn2)C1 426429029 PNWOPOQFKYLHBC-ZDUSSCGKSA-N 371.445 1.795 0 50 FDAA Cc1nn(C)c2nc(NCCN3CCN(c4ncccn4)CC3)sc12 96133704 CYDVFBMZLKBDQY-UHFFFAOYSA-N 358.475 1.362 0 50 FDAA CNC(=O)CCc1ccccc1NC(=O)NC[C@H]1CC(=O)N(C2CC2)C1 97088153 DFGBZSDTTZOPAH-CYBMUJFWSA-N 358.442 1.498 0 50 FDAA NC(=O)CN(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1 95500447 DYLLMFZDKCHEHB-OAQYLSRUSA-N 371.525 1.832 0 50 FDAA NC(=O)C1(C(=O)N2CCC(c3nccn3Cc3cscn3)CC2)CC1 91876550 KSJQTZDMEJUFNM-UHFFFAOYSA-N 359.455 1.359 0 50 FDAA O=C(c1ccccc1-n1cncn1)N1CCCC[C@@H]1CCN1CCOCC1 91707558 POHLWSMFGVLQBU-QGZVFWFLSA-N 369.469 1.984 0 50 FDAA O=C(CCc1ccc(O)cc1)N1CCC2(CCC(=O)N(CCO)C2)CC1 91433734 TVRVQMBDYDBRBS-UHFFFAOYSA-N 360.454 1.548 0 50 FDAA Cc1cc(C)c(C(=O)N2CCc3nnc(-c4ccccc4)n3CC2)c(=O)[nH]1 91381571 KFXFLIYXXDPWNJ-UHFFFAOYSA-N 363.421 1.949 0 50 FDAA Cn1ccnc(N2CCC[C@H](NC(=O)Nc3cccc(C4CC4)n3)C2)c1=O 296855184 KRIZGOABDHHTKW-AWEZNQCLSA-N 368.441 1.843 0 50 FDAA Cn1cccc1CNC(=O)CC[C@H]1N=C(O)N(Cc2ccccc2)C1=O 252535801 GXCXZBUPKYRDTD-MRXNPFEDSA-N 354.410 1.747 0 50 FDAA Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCc2cnccc21 183658945 VBTGPBWLZLTTAU-QGZVFWFLSA-N 352.373 1.889 0 50 FDAA COC(=O)[C@@H]1[C@@H]2C(=O)N3[C@H](c4ccco4)[C@H](C)C(=O)[C@@H](C)[C@@H]3[C@]23C=C[C@H]1O3 252695110 VEGDJTLZYKPHPF-FRLLOTQESA-N 371.389 1.499 0 50 FDAA biogenic CC(=O)N1CCC(N2CCN(Cc3ccc(C)cc3)[C@H](CCO)C2)CC1 253672978 BKRZGAFEKPZXKH-OAQYLSRUSA-N 359.514 1.875 0 50 FDAA COCc1n[nH]c(C)c1-c1ccc(C(=O)N2CCC[C@@H](C(N)=O)C2)cc1 534676162 ZWSGCZTZSQRCGF-OAHLLOKOSA-N 356.426 1.869 0 50 FDAA CN1CCCN(c2ncccc2CNC(=O)c2cnn3ccccc23)CC1 67921168 KJMYGZJVPCSQKT-UHFFFAOYSA-N 364.453 1.801 0 50 FDAA CN(Cc1n[nH]c2c1CCC2)c1cc([C@@H]2CCOC2)nc(NCCO)n1 299801208 WFTZJCCRULCNIZ-GFCCVEGCSA-N 358.446 1.233 0 50 FDAA C[C@H](NC(=O)c1cnc2sccn2c1=O)c1nncn1C1CCCC1 299780018 LULQTIWJFMKFNC-JTQLQIEISA-N 358.427 1.954 0 50 FDAA O=C(N1CC[C@H]2[C@H](C1)OCc1cnnn12)C1(c2ccccc2)CCNCC1 299789337 ZTEDRZUBPDYBOD-ROUUACIJSA-N 367.453 1.272 0 50 FDAA CC(C)CN1C[C@H](C(=O)NCCc2noc(C(F)(F)F)n2)CCC1=O 299782120 SHUCBOOBLMJOBT-SNVBAGLBSA-N 362.352 1.642 0 50 FDAA COCC(=O)Nc1ccc(Cl)c(NC(=O)N2CC[C@H](NC(C)=O)C2)c1 299780114 PCFKXYDBIMWIMZ-LBPRGKRZSA-N 368.821 1.667 0 50 FDAA COCCNC(=O)c1cccc(NC(=O)N(C)CCc2cn[nH]c2)c1C 299794781 KPXXIAKTAJEMGA-UHFFFAOYSA-N 359.430 1.801 0 50 FDAA Cn1nc(C(=O)O)cc1C(=O)N1CCN(c2ncnc3ccsc23)CC1 864108490 AOUWWRFZNPFVLI-UHFFFAOYSA-N 372.410 1.085 0 50 FDAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)N(Cc1cocn1)Cc1cocn1 584884652 ADBLQQZPEZLQQT-HOTGVXAUSA-N 363.418 1.482 0 50 FDAA CN1C[C@H](Cn2cnc3sc(-c4ccccc4)cc3c2=O)OCC1=O 584884948 DZWWYGWOKRGTEZ-CYBMUJFWSA-N 355.419 1.982 0 50 FDAA COCCN1CC[C@@H](CNS(=O)(=O)c2ccc(F)c(F)c2F)C1 670439082 YZOPPVODEVOEFX-JTQLQIEISA-N 352.378 1.351 0 50 FDAA C[C@@H]1[C@H](NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)C2CC2)CCS1(=O)=O 1875268718 UCLXFIDPENKIHD-SIVJFFJCSA-N 360.476 1.372 0 50 FDAA Cc1ncsc1CCS(=O)(=O)NS(=O)(=O)CCc1ccccc1 1875333009 UUFBRIWQVVYDAM-UHFFFAOYSA-N 374.509 1.486 0 50 FDAA CC1(C)CCC[C@@H](C(=O)NCC23CC(C(N)=O)(C2)C2(CCNCC2)O3)C1 1875392971 BXVIDDPUMLAHKX-FTXHTYHOSA-N 363.502 1.476 0 50 FDAA C=CC(=O)N1CCC(C(=O)NC[C@H](O)c2cc(OC)ccc2OC)CC1 1875371399 ZCWNHJATSYQAEB-INIZCTEOSA-N 362.426 1.278 0 50 FDAA O=C(Cn1ccnn1)NC[C@@H]1CN(c2ncc(F)cn2)CCC12CCC2 1875407532 BYHZDHBKHOFBBR-CYBMUJFWSA-N 359.409 1.020 0 50 FDAA CCn1c(O)nnc1[C@H]1[C@H](C2CC2)CCN1C(=O)Cn1cccc(C)c1=O 1875401678 OOBBIYGPVKWSOC-GOEBONIOSA-N 371.441 1.474 0 50 FDAA Cc1nc(CN2CC[C@H](NC(=O)Cc3ccccc3O)[C@@H](O)C2)cs1 1565513215 RPJFRIXNMRESDM-RDJZCZTQSA-N 361.467 1.451 0 50 FDAA CCn1nccc1S(=O)(=O)N[C@H]1CCOC[C@@H]1OCc1ccccc1 1565506601 NMYDKXZMENCYSV-HOTGVXAUSA-N 365.455 1.556 0 50 FDAA Cc1cc(S(=O)(=O)N2CC[C@](O)(c3nc(C4CC4)no3)C2)c(C)s1 275308997 NSHCCALNXVLTCT-OAHLLOKOSA-N 369.468 1.908 0 50 FDAA Cc1csc(SCC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@H]2N2CCCC2)n1 1074592678 GRDZCOXXZRIHFN-ATGSNQNLSA-N 353.513 1.912 0 50 FDAA CC1(C)CN(CCNC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)CCO1 171712004 LFUTZTGZYMYJHR-SFHVURJKSA-N 373.497 1.766 0 50 FDAA CCn1cnnc1[C@H]1CCCN(c2cnn(C)c(=O)c2Br)C1 301223799 DOLLSUPJTHGNFJ-JTQLQIEISA-N 367.251 1.538 0 50 FDAA C[C@@H](OC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)NCc1ccccn1 225856840 XFBZJDXZOYRKDV-KGLIPLIRSA-N 371.393 1.271 0 50 FDAA O=C(O)[C@H](Cc1cnc[nH]1)NC1CCN(c2ccc(F)c(F)c2)CC1 1506401531 SQWWPFNFJBIVJL-INIZCTEOSA-N 350.369 1.942 0 50 FDAA CCCc1nc(C)cc(N2C[C@@H]3CC[C@H](C2)C(=O)N3CC(=O)N(C)C)n1 213066190 QXCXSFASVGFQSP-CABCVRRESA-N 359.474 1.253 0 50 FDAA Cc1cc(C(=O)N2CCCN(C(=O)[C@@H]3CCCCCN3C)CC2)cc(O)n1 1529174920 YKXYWWFNIYBQGN-KRWDZBQOSA-N 374.485 1.645 0 50 FDAA CCn1ncnc1CN1CCCN(C(=O)COCc2ccccc2)CC1 1800410659 YWAGCGPCYLSLIW-UHFFFAOYSA-N 357.458 1.549 0 50 FDAA COC[C@H](O)CN(C)c1noc(-c2ccc(F)c(OC)c2)c1C(=O)O 1704312122 KJBCRAHTYNZNIC-SNVBAGLBSA-N 354.334 1.631 0 50 FDAA CCCN1C[C@@H]2COC[C@H](C1)N(C(=O)c1cccc(-n3cnnc3)c1)C2 1704312617 GRGGLGHELWVQRK-YJBOKZPZSA-N 355.442 1.450 0 50 FDAA O[C@H]1CN(Cc2cnc(N3CCCCC3)nc2)C[C@@H]1Cc1ccccn1 1616070172 NDDXGXJHDZNQSX-HKUYNNGSSA-N 353.470 1.897 0 50 FDAA CN1C[C@@H](NC(=O)c2onc3ncccc23)c2sccc2S1(=O)=O 1775982940 VONBTUXDBUMENC-SECBINFHSA-N 364.408 1.390 0 50 FDAA CSCC(=O)N1C[C@@H]2CN(C(=O)CC3=CCCC3)C[C@@]2(CN(C)C)C1 1772704128 BUPKUHMIPSRSAU-LPHOPBHVSA-N 365.543 1.698 0 50 FDAA CCC(=O)Nc1cc(CNC(=O)c2cc(C)nn2C)cc(C(=O)OC)c1 11966144 ZIOZPPCJTIRVGB-UHFFFAOYSA-N 358.398 1.794 0 50 FDAA COCCCNc1nc2nonc2nc1N(C)CCOc1ccccc1 14967357 COSFHZMQHRBFBJ-UHFFFAOYSA-N 358.402 1.976 0 50 FDAA CN(C)[C@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3csc4ccccc34)C[C@@H]12 1857691294 DIIGKRHNLGURGO-NOLJZWGESA-N 364.492 1.701 0 50 FDAA Cn1nc(C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)nc1Cl 1857693953 ULRGSKJUMRLART-GFCCVEGCSA-N 368.846 1.298 0 50 FDAA CC(C)N=c1[nH]c(N(C)C)nc2c1CCC21CCN(Cc2cnc[nH]2)CC1 1857698793 IKBLOWPSEYLFCE-UHFFFAOYSA-N 369.517 1.988 0 50 FDAA COc1cc(CC(=O)N2CCO[C@H]3C[C@H](CO)C[C@@H]32)cc(OC)c1OC 1857709914 XXORJHWKRYNCTN-ILXRZTDVSA-N 365.426 1.253 0 50 FDAA NC(=O)[C@H]1CCCN1C1CCN(c2ccc(Br)cn2)CC1 301984546 YRCIZZJUFNGZMZ-CYBMUJFWSA-N 353.264 1.763 0 50 FDAA COCCN1C[C@@H]2CC[C@H]1CN(S(=O)(=O)N(C)Cc1ccccc1)C2 248096511 ZOUHTNNJVHZMTN-ROUUACIJSA-N 367.515 1.406 0 50 FDAA COc1ccc(N2C[C@H](C(=O)N[C@@H]3c4ccccc4C[C@H]3O)CC2=O)cc1 267064304 GBIZLAMHJXLXEM-LXGCGDOSSA-N 366.417 1.823 0 50 FDAA O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)NCc1cccs1 19874991 ZGBGCDKTURVLPN-UHFFFAOYSA-N 373.478 1.911 0 50 FDAA CO[C@]1(C(F)(F)F)C[C@@H](NC(=O)C2CCN(c3cnccn3)CC2)C1 2325791228 DDJWHBYYIXCOKZ-NNUKFRKNSA-N 358.364 1.919 0 50 FDAA NCC1(c2ccccc2)CCN(C(=O)NCc2nnc3ncccn23)CC1 2325860276 BECXKHGCILEWEM-UHFFFAOYSA-N 365.441 1.326 0 50 FDAA CC(C)[C@H](NS(=O)(=O)[C@@H]1COC[C@H]1O)c1ccc(Cl)cc1F 914348786 BGXAFFMZDZVTCX-MCIONIFRSA-N 351.827 1.855 0 50 FDAA COc1ccc2[nH]c(C(=O)N3CC[C@@H](O)[C@@]4(CCCNC4=O)C3)cc2c1 2356140658 NTOUOBPKIPLJKZ-VQIMIIECSA-N 357.410 1.280 0 50 FDAA CCCC(=O)Nc1ccc(NC(=O)Cc2c[nH]c(=O)n(C)c2=O)cc1OC 55403518 XPQHUMVNCCPPOE-UHFFFAOYSA-N 374.397 1.002 0 50 FDAA CCN1CCN(c2nccc(-c3cnc4nc(SC)nn4c3C)n2)CC1 54202022 PDHJORJFUMFLBP-UHFFFAOYSA-N 370.486 1.754 0 50 FDAA Nc1ncc(CN2CCN(c3cc(N4CCCCC4)ncn3)CC2)cn1 65494627 UJUOEGYFXNJSMT-UHFFFAOYSA-N 354.462 1.161 0 50 FDAA NS(=O)(=O)c1cccc(NC(=O)N2CCCN(C3CCCC3)CC2)c1 172651821 NKXSLQBTWOEDNU-UHFFFAOYSA-N 366.487 1.816 0 50 FDAA CCOC(=O)CNc1ncc([C@H]2CC(=O)Nc3cc(O)c(OC)cc32)cn1 65428560 AZPLXNXZHYCIDV-LLVKDONJSA-N 372.381 1.640 0 50 FDAA CN1[C@H](C(=O)O)C[C@H](C(=O)NCC(C)(C)CO)[C@@H]1c1cccc(F)c1F 67973915 ZMTGBVPZAJECQO-WHOFXGATSA-N 370.396 1.546 0 50 FDAA Cc1cc(C)cc(N([C@@H](C)C(=O)NC2CCN(C)CC2)S(C)(=O)=O)c1 65363450 MXSSBVOOFIRJAK-HNNXBMFYSA-N 367.515 1.668 0 50 FDAA COc1ccc(Cl)cc1CN(C)C(=O)[C@@]1(O)CCCN(C(C)=O)C1 284736786 IOUPINHQESUHPR-QGZVFWFLSA-N 354.834 1.680 0 50 FDAA O=C(O)CN1CCC(NS(=O)(=O)c2csc3ccccc23)CC1 284984837 GAWOWSXQSCEWCJ-UHFFFAOYSA-N 354.453 1.729 0 50 FDAA O=C(NCc1cnn(Cc2ccccc2)c1)N1CC[C@@H](N2CCOCC2)C1 173786575 OTUZGISRZHVSAP-LJQANCHMSA-N 369.469 1.548 0 50 FDAA CCn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)c2cn(C)c(C)n2)cn1 328621268 HRGMGSCOMXOLCF-DZGCQCFKSA-N 353.448 1.144 0 50 FDAA Cc1cnn([C@H]2CCN(S(=O)(=O)c3cn(C)nc3C(F)(F)F)C2)c1 328740315 IIRWVPPBAMLQID-JTQLQIEISA-N 363.365 1.580 0 50 FDAA O=C([C@H]1CN(Cc2cnc(C3CCCCC3)nc2)CCN1)N1CCCC1 72122546 WGQDDOJOPSFYGN-GOSISDBHSA-N 357.502 1.921 0 50 FDAA COc1ccccc1-c1ncc(CN2CCN(S(N)(=O)=O)CC2)s1 215360912 YXHQWJSBTXGNRD-UHFFFAOYSA-N 368.484 1.140 0 50 FDAA O=C1CCC(C(=O)N2CC(F)(F)C[C@H]2CO)=NN1Cc1ccccc1 372507165 PKTCLWQSFKBNFE-ZDUSSCGKSA-N 351.353 1.394 0 50 FDAA Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(C(=O)c2cc(N)[nH]n2)C1 72480477 GLZKOOFEJMAGOC-CYBMUJFWSA-N 372.477 1.126 0 50 FDAA CCn1cc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)ccc1=O 332035860 JWOMXXIIQGUVDD-PBHICJAKSA-N 357.414 1.150 0 50 FDAA CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)[C@H]1OCCc2ccccc21 262749884 FYEABBWAQGATIJ-KRWDZBQOSA-N 360.410 1.082 0 50 FDAA CC(C)(O)CCc1cccc(C(=O)N2CCC(NS(C)(=O)=O)CC2)c1 72409660 BUIDNPXIQDOQEP-UHFFFAOYSA-N 368.499 1.544 0 50 FDAA CC[C@@H](NC(=O)N1CCOC[C@H]1c1ccccc1)C(=O)N1CCOCC1 333032460 ATTISTPIPYPGBL-SJORKVTESA-N 361.442 1.407 0 50 FDAA CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)C1CCNCC1 237237278 WAJOVCHUHCEVFD-ZDUSSCGKSA-N 360.376 1.903 0 50 FDAA Cc1nc(C)c(CC(=O)NCc2nc(Cc3ccccc3)no2)c(=O)[nH]1 219165150 CIKFDXYZXFTCNU-UHFFFAOYSA-N 353.382 1.219 0 50 FDAA Cc1c(F)cc(C(=O)O)cc1S(=O)(=O)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 333936381 KIWDXIBBPVJUOK-CDGCEXEKSA-N 353.371 1.406 0 50 FDAA O[C@H]1CCCN(CCCNc2nc(-c3cccnc3)nc3c2CCNC3)C1 71730452 UFUQFWRFTNEBLY-INIZCTEOSA-N 368.485 1.443 0 50 FDAA C[C@@H](CN(C)c1nccc(-c2cc(C(=O)O)ccn2)n1)N1CCOCC1 72436685 YBXYSTKCDULKMG-ZDUSSCGKSA-N 357.414 1.394 0 50 FDAA Cc1cn(CC(=O)N(C)Cc2cc(-c3ccccc3)no2)c(=O)[nH]c1=O 72475412 KXUVWTKLCHXMKK-UHFFFAOYSA-N 354.366 1.159 0 50 FDAA COc1ccc(OC[C@H]2CCCN(C(=O)CCNS(C)(=O)=O)C2)cc1 77542309 BODOYFHOWKAKOX-AWEZNQCLSA-N 370.471 1.252 0 50 FDAA C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](n3cncn3)C2)C(=O)N1c1ccccc1 246496372 WLGLNMAZMYFTDS-DJIMGWMZSA-N 368.441 1.819 0 50 FDAA CN1C[C@]2(CCN(C(=O)c3cc(-c4ccccc4)n(C)n3)C2)OCC1=O 426382594 CRUYEIMUUSANCF-IBGZPJMESA-N 354.410 1.160 0 50 FDAA NCCOc1ccc(Cl)cc1C(=O)N1CCN(C(=O)C2CCC2)CC1 426548874 SPKJXWVCYBKXEY-UHFFFAOYSA-N 365.861 1.762 0 50 FDAA CN(CC1(CO)CCOCC1)C(=O)CCn1cnc2ccccc2c1=O 82108400 SIOVELHVABRIFC-UHFFFAOYSA-N 359.426 1.034 0 50 FDAA CO[C@@]12CC[C@H](OCCO)C[C@@H]1N(C(=O)c1ccc3nccnc3c1)CC2 426370329 FTPNONUPAFTHOM-ZAAXVRCTSA-N 371.437 1.791 0 50 FDAA Cc1nc([C@@H]2CCCN(C(=O)Nc3cccc(-c4nnn(C)n4)c3)C2)n[nH]1 426372050 MIUFHJIDMYXFDO-CYBMUJFWSA-N 367.417 1.715 0 50 FDAA Cn1cc([C@H](NC(=O)CCc2n[nH]c3c2CCCC3)C2CC(O)C2)cn1 223730549 DCGBRLFOWXJFDZ-JWIMFUQQSA-N 357.458 1.583 0 50 FDAA O=C1NCCN(C(=O)Cc2nc3ccccc3[nH]2)[C@H]1c1cccc(F)c1 426724048 UWSWLYVFQYGKKC-SFHVURJKSA-N 352.369 1.944 0 50 FDAA CN1CCN(S(=O)(=O)c2ccccc2Cl)C[C@]12CCNC(=O)CC2 91768797 YLTKCSKBYRKWQQ-INIZCTEOSA-N 371.890 1.315 0 50 FDAA CNC(=O)c1cc(S(=O)(=O)NC[C@H]2COc3ccccc3C2)cs1 91439957 WIBXHDNNHSIYRG-NSHDSACASA-N 366.464 1.637 0 50 FDAA CN(Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)[C@@H]1CCC(=O)NC(=O)N1 97635107 MRMSTEUUFISRBM-ZDUSSCGKSA-N 359.361 1.162 0 50 FDAA COc1ccc2c(c1)[C@@H](C(=O)NCc1cn3c(n1)SCC3)CC(=O)N2 91625679 RKRNUEIGCPFUFV-ZDUSSCGKSA-N 358.423 1.740 0 50 FDAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)Cc2cccc(O)c2)CN1Cc1ccoc1 91714008 VZTFQXIZNFHMCB-AEFFLSMTSA-N 371.437 1.423 0 50 FDAA CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(c1ncc(Cl)cc1F)C2 91621100 UHLQHZDQWSRETC-CMPLNLGQSA-N 354.813 1.390 0 50 FDAA CS(=O)(=O)NCCNC(=O)[C@H](Cc1ccc(O)cc1)c1ccccc1 96161750 PAJOKQUKMKMCSM-QGZVFWFLSA-N 362.451 1.384 0 50 FDAA NC(=O)c1ccc(CN2C[C@@H](C(=O)O)[C@H](c3ccc4c(c3)OCO4)C2)cc1 91649775 DRMFIQOHYGKRKY-JKSUJKDBSA-N 368.389 1.814 0 50 FDAA CN1Cc2ccccc2C[C@H]1C(=O)NCCc1nc(-c2cccnc2)no1 95377958 UFWVIIXHPDIFCI-KRWDZBQOSA-N 363.421 1.847 0 50 FDAA CNc1ccnc(N2CCC(c3nnc(Cn4ccnc4C)n3C)CC2)n1 92027927 WNSJCJDLQIEHHE-UHFFFAOYSA-N 367.461 1.584 0 50 FDAA CCCNC(=O)c1nn(CC)cc1NC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 239275094 BEFORCFFPINKCM-AUZPSNTRSA-N 362.430 1.728 0 50 FDAA CCCN1C[C@H]2CC[C@@H]1CN(S(=O)(=O)c1cccc(C(=O)NC)c1)C2 91690080 GHQGQXLRVFUURO-GDBMZVCRSA-N 365.499 1.541 0 50 FDAA Cn1c(Cn2cccn2)nnc1[C@H]1CCCN(c2ncnc3[nH]ccc23)C1 95365704 VPDGWWWTXXFCGS-ZDUSSCGKSA-N 363.429 1.715 0 50 FDAA O=C(COCc1nc2cc(F)ccc2[nH]1)NCCc1noc(C2CC2)n1 244817134 SUUKNMXJAQAFEG-UHFFFAOYSA-N 359.361 1.838 0 50 FDAA Cn1ccc(NC(=O)CN2CCCN(C3Cc4ccccc4C3)CC2)n1 244748753 ONTYJADHDALUJK-UHFFFAOYSA-N 353.470 1.534 0 50 FDAA C[C@@H]1CC[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@]12CC[C@](CO)(CC(=O)O)O2 242688205 VKNLNUXZCWSEOI-HXZUJCDCSA-N 370.486 1.947 0 50 FDAA biogenic O=C(N1CCOCC1)N1CCC(Nc2cc([C@H]3C[C@@H](O)C3)ncn2)CC1 244691738 JIGQHZRQLRBMPN-OTVXOJSOSA-N 361.446 1.043 0 50 FDAA CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2coc3c2C(=O)CCC3)C1 296240492 OWYHWGRMEPDADZ-LLVKDONJSA-N 354.428 1.295 0 50 FDAA O=C(NCc1nc(C(=O)O)cs1)c1cccc(CN2CCCC2=O)c1 299748512 HHDPAKIYNHFVEN-UHFFFAOYSA-N 359.407 1.894 0 50 FDAA CCCc1nnc(NC(=O)CN2CCC(N3CCSCC3)CC2)s1 252484910 GKJCXPVQODRDMK-UHFFFAOYSA-N 369.560 1.942 0 50 FDAA CCn1c([C@H]2CCCNC2)nn(Cc2cnn(-c3ccccc3F)c2)c1=O 67804760 ZPUKMFBPYYYIEI-HNNXBMFYSA-N 370.432 1.905 0 50 FDAA CN(C)S(=O)(=O)c1ccc(CN2CC3(CCNCC3)CCC2=O)cc1 91616500 OZYQPZYUKODLDR-UHFFFAOYSA-N 365.499 1.429 0 50 FDAA CCOC(=O)Cc1ccc(NC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)cc1 299791463 DRFPKOXBVZYBHC-HNNXBMFYSA-N 368.455 1.833 0 50 FDAA Cc1cccn2c(CC(=O)N[C@@H]3CCCN(c4ncccn4)C3)cnc12 299798401 TWMUZBUATSOMAP-OAHLLOKOSA-N 350.426 1.760 0 50 FDAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CC[C@@H](Nc2ncccn2)[C@H](O)C1 299760686 WSMPQWYSKRBGGP-IAGOWNOFSA-N 364.409 1.554 0 50 FDAA Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)CCCS(N)(=O)=O 828026396 VVJIYDOMIGSDCY-UHFFFAOYSA-N 368.434 1.313 0 50 FDAA CCCN1CCOC2(CCN(C(=O)c3cccc(-n4cnnc4)n3)CC2)C1 822921707 TZAZOOQXFMAPFQ-UHFFFAOYSA-N 370.457 1.379 0 50 FDAA CCN1Cc2nc(OC)c(CNC(=O)N3CCSCC3)cc2C1=O 584900515 GDFSTINLKGVZGA-UHFFFAOYSA-N 350.444 1.324 0 50 FDAA COc1ncnc(C)c1-c1cccc(C(=O)NC2(C(N)=O)CCCC2)c1 584893439 SGNFRECYXBDJRW-UHFFFAOYSA-N 354.410 1.989 0 50 FDAA Cc1noc(C)c1CN(C)C(=O)NCc1csc(N2CCOCC2)n1 584888591 PQZLUSGIIDUTMP-UHFFFAOYSA-N 365.459 1.926 0 50 FDAA CN(C)c1ccnc(C(=O)N2CC[C@@H](c3cc(O)nc(N(C)C)n3)C2)c1 864841880 MEAPDKGJQKGRFN-GFCCVEGCSA-N 356.430 1.339 0 50 FDAA FC(F)(F)[C@@]1(c2nc(-c3nc[nH]n3)no2)CCN(c2ccccn2)C1 952895370 UFRWIIPPNQBKED-ZDUSSCGKSA-N 351.292 1.960 0 50 FDAA CNC(=O)[C@@H](C)N1CCC[C@H](CCNC(=O)c2cc3cnccc3[nH]2)C1 1875339786 YPOQDGHVIOVMNQ-ZIAGYGMSSA-N 357.458 1.529 0 50 FDAA Cc1nc(C(=O)NCc2cnc(C)n2C)nc(N2CC[C@@H](N(C)C)C2)c1C 1875403915 KSMRAEHAAYKJSV-OAHLLOKOSA-N 371.489 1.206 0 50 FDAA Cc1nc(C(=O)N2CCOC3(CCC3)C2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875404139 WQJZULYXUMNZPS-MRXNPFEDSA-N 373.501 1.629 0 50 FDAA Cc1nc(C)c(C)c(N2CCC3(CCN(C(=O)C4(CO)CC4)CC3)C2)n1 1875408597 ZVXKJECACUCYKG-UHFFFAOYSA-N 358.486 1.993 0 50 FDAA CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@@]2(C)c2ccccc2)Cc2nccn2C1 1875406997 QOGPTVBTPMLYAW-QKLQHJQFSA-N 352.438 1.708 0 50 FDAA COCCN1CC[C@@H](CN(C)S(=O)(=O)c2ccc(C)cc2OC)C1 952966177 GELTZLPQXUMQBI-HNNXBMFYSA-N 356.488 1.592 0 50 FDAA CO[C@@H]1CCN([C@H]2CCC[C@H]2NCc2nn(C)cc2Br)C1 886082496 GZTMADBEKZKZEB-KYOSRNDESA-N 357.296 1.914 0 50 FDAA CC(=O)NCc1cc(O[C@@H]2CCN(C(=O)c3ccc(F)cn3)C2)ccn1 886095510 YMUZLIJHRLXLCN-MRXNPFEDSA-N 358.373 1.545 0 50 FDAA O=C(c1ccc2nn[nH]c2n1)N1CCOC[C@H]1Cc1c[nH]c2ccccc12 888102605 MVIQXHOLUYVLDK-CYBMUJFWSA-N 362.393 1.918 0 50 FDAA Cc1cccc(OCCCC(=O)N2CCC[C@H]2c2nc(C(N)=O)no2)c1 170614440 FAYUQXRICXSGGI-AWEZNQCLSA-N 358.398 2.000 0 50 FDAA CNC(=O)c1ccc(CNC(=O)[C@@H](C)c2nnc(O)c3ccccc23)o1 1506422966 BPMOKGUIZJKJBD-JTQLQIEISA-N 354.366 1.708 0 50 FDAA Cc1cc(-c2cc(S(=O)(=O)NCc3nnc(C)o3)c(C)s2)n[nH]1 1506406888 KIWITCYAPNJNHF-UHFFFAOYSA-N 353.429 1.925 0 50 FDAA O=C(CCc1nc2ccccc2[nH]1)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1529110803 PJAUBCKRQHOOAR-CXAGYDPISA-N 351.410 1.348 0 50 FDAA Cc1cc(C[C@@H]2CN(CCS(=O)(=O)c3ccccc3)C[C@@H]2O)on1 1704358241 HJYFWXCZUMPRTP-PBHICJAKSA-N 350.440 1.292 0 50 FDAA COc1cccc2c1OCc1cn(nn1)CCCC(=O)N(C)CCN(C)C2 1704324840 VNPJMLGELNVQMK-UHFFFAOYSA-N 373.457 1.550 0 50 FDAA COc1ccc(CC(=O)N2C[C@H](C(=O)O)C3(CCOCC3)C2)c(OC)c1 1800412150 VDDOYZYHMBJOFX-OAHLLOKOSA-N 363.410 1.586 0 50 FDAA CCOCC(=O)N1CCCN(C(=O)c2ccc(OC(F)F)cc2)CC1 1704315980 HONADKQDQHUVPI-UHFFFAOYSA-N 356.369 1.999 0 50 FDAA CN1C(=O)[C@H]2COC[C@@H]1CN(C(=O)Cc1c(Cl)cccc1Cl)C2 1704311798 CUIUMAUKTRKBDJ-MNOVXSKESA-N 357.237 1.852 0 50 FDAA C[C@@H](C(=O)N1C[C@H]2C[C@@H](O)C[C@H]2C1)N(c1ccccc1)S(C)(=O)=O 1775982117 HZXCGXHBLVEIFQ-AYDFFVQHSA-N 352.456 1.070 0 50 FDAA O=C1C[C@@H](NS(=O)(=O)N2CCCC2)CN1Cc1cccc2ccccc12 12052278 BBEFEMQJQVTJAC-QGZVFWFLSA-N 373.478 1.871 0 50 FDAA CCCC(=O)NC1CCN(C(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)CC1 169893022 GMTRWIKVYKMHIJ-ZDUSSCGKSA-N 371.437 1.578 0 50 FDAA CNC(=O)c1ccccc1NC(=O)CNC(=O)c1cc2c(s1)CCC2 1857529401 LFZQSEWQMRPRLK-UHFFFAOYSA-N 357.435 1.965 0 50 FDAA CN1CCC(C(=O)N2CCN3C(=O)OC[C@@]3(Cc3ccccc3)C2)CC1 1857687303 PIWRFCAWDIIELB-HXUWFJFHSA-N 357.454 1.604 0 50 FDAA O=C(CCn1cnnc1)N1CCC[C@@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857712198 SULYRADCAYPRGX-LJQANCHMSA-N 368.441 1.548 0 50 FDAA COc1ccc(CCNC(=O)N2CCN3CCOC[C@H]3C2)c(Cl)c1 332042898 RCTDUTFRSARAIM-CQSZACIVSA-N 353.850 1.617 0 50 FDAA C[C@@H](C(=O)O)[C@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)c1ccccc1 237746821 MMRLAKVYSNXFCA-ACJLOTCBSA-N 367.405 1.918 0 50 FDAA CC(C)n1cnc(S(=O)(=O)N2CCN([C@H](C)C(F)(F)F)CC2)c1 153838272 IBIFARZVMPHSFE-LLVKDONJSA-N 354.398 1.721 0 50 FDAA CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cc2cccc(F)c2F)cn1 818600645 PMOAQIYAATZTPI-LSDHHAIUSA-N 351.353 1.686 0 50 FDAA C/C=C1/CN2[C@H]3Cc4c([nH]c5ccccc45)[C@]2(O)C[C@@H]1[C@@]3(CO)C(=O)OC 238731648 ZROBSNVANUBAJZ-LWKNIGJSSA-N 368.433 1.671 0 50 FDAA O=C(O)[C@]12CCC[C@]1(C(=O)N1CCN(c3ncnc4ccsc34)CC1)C2 2325792205 LFJQMOCYYCMZCJ-QZTJIDSGSA-N 372.450 1.985 0 50 FDAA O=S(=O)(c1cnn(-c2ccccc2)c1)N1CCC/C(=C(\F)CO)C1 2325804046 RFCBDNUXGKNPEI-DTQAZKPQSA-N 351.403 1.873 0 50 FDAA CC(C)OCCC(=O)N[C@H](CNC(=O)C1=COCCO1)C1CCCCC1 2325879363 RTJQTHOLTUHTSZ-MRXNPFEDSA-N 368.474 1.871 0 50 FDAA COC(=O)c1cc(NC(=S)N2CCC(O)CC2)cc(C(=O)OC)c1 2341196 OCMYUZAFFSWQQC-UHFFFAOYSA-N 352.412 1.413 0 50 FDAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@H](O)c1cccc(O)n1 2356155354 DDOXXIMVMQQMGJ-SFHVURJKSA-N 366.421 1.982 0 50 FDAA OC[C@@H]1O[C@H](n2cnc3c(NC4CCCC4)cc(Cl)nc32)[C@H](O)[C@H]1O 4486921 ZQSTWOIIMKNFPE-BWPSIRRCSA-N 368.821 1.051 0 50 FDAA Cc1ccc(NC(=O)Cc2nnc(SCC(N)=O)n2C)cc1Cl 8784662 SPIYFYOJVQWVIV-UHFFFAOYSA-N 353.835 1.536 0 50 FDAA O=C(NCCc1n[nH]c(=O)[nH]1)c1csc2nc(-c3ccccc3F)cn12 67605036 MOGNKGKUWRCYHD-UHFFFAOYSA-N 372.385 1.586 0 50 FDAA CC(C)c1ccc(CN2CCC[C@@](O)(CN3CCNC(=O)CC3)C2=O)cc1 67818137 YGRXURJAXZMKBB-OAQYLSRUSA-N 373.497 1.485 0 50 FDAA CCn1c(C2CCN(C(=O)CCc3ccc4c(c3)OCO4)CC2)n[nH]c1=O 67787598 HUIKCVKYVHZQFM-UHFFFAOYSA-N 372.425 1.659 0 50 FDAA O=C(c1ccc(N2CCCNCC2)nc1)N1CCC(Cn2cccn2)CC1 67802937 LOZUGOYADYGUIH-UHFFFAOYSA-N 368.485 1.630 0 50 FDAA O=C(Nc1nnc([C@@H]2CCCO2)s1)C1CCC(Cn2cnnn2)CC1 170622289 ZXOPOVBHNLIGKC-MCIGGMRASA-N 363.447 1.821 0 50 FDAA COC(C)(C)C(=O)N1CCC[C@@H](c2nn(C)c(=O)n2-c2ccccc2)C1 67820818 UVTYRPFBAGALED-CQSZACIVSA-N 358.442 1.702 0 50 FDAA Cc1nccn1-c1cc(N2CCN(C(=O)c3cccs3)CC2)ncn1 67622902 BRWXESVJQKDSHJ-UHFFFAOYSA-N 354.439 1.995 0 50 FDAA Cc1noc2nc(C3CC3)cc(C(=O)N3C[C@@H](N)C[C@H]3C(=O)NC(C)C)c12 67787588 XHVBVJGWWCHPTD-WFASDCNBSA-N 371.441 1.475 0 50 FDAA O=C(O)[C@H]1CCCN1C(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 2125323 QDLJHWPBPAZKHV-OAHLLOKOSA-N 357.362 1.736 0 50 FDAA biogenic COc1c(C)cc(C(=O)[C@H]2CCCN(Cc3cc(=O)[nH]c(=O)[nH]3)C2)cc1C 67562813 YRYWVWYQILQCSU-AWEZNQCLSA-N 371.437 1.784 0 50 FDAA Cc1nn(C)c(C)c1CNC(=O)[C@@H]1CCCCN1C(=O)c1cccnc1 174067682 AVVDZBKYFHGEEF-KRWDZBQOSA-N 355.442 1.743 0 50 FDAA Cc1cc(CN2CCC[C@@H](n3ncc(N4CCOCC4)cc3=O)C2)no1 328603342 FSJIHCHMHRNQBF-MRXNPFEDSA-N 359.430 1.213 0 50 FDAA CC(C)(C)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCSCC2)[C@@H]3C1=O 77485812 OCIIQTKWEUZLCR-FLTUCWPJSA-N 350.484 1.390 0 50 FDAA CCCS(=O)(=O)N1CCC[C@H](c2nnc(CN3CCCCC3)n2C)C1 72434219 BVCYNGRKGFTPAZ-HNNXBMFYSA-N 369.535 1.720 0 50 FDAA Cc1c[nH]c(CN(C)C(=O)c2cn(C[C@H]3COc4ccccc4O3)nn2)n1 72149543 KQDIEPASJKMIJA-ZDUSSCGKSA-N 368.397 1.422 0 50 FDAA Cc1noc(-c2ccc(N3CCn4nc(CCC(=O)O)cc4C3)nc2)n1 72473115 QEXJQXVQZXLGFZ-UHFFFAOYSA-N 354.370 1.674 0 50 FDAA CCOc1cc2c(cc1OCC)CN(S(=O)(=O)c1cnnn1C)CC2 330034791 BIKSWFFOEZBWPI-UHFFFAOYSA-N 366.443 1.360 0 50 FDAA Cc1onc(-c2ccncc2)c1C(=O)N1CCO[C@H](Cn2cccn2)C1 124881218 JTBJWFWYBUGYGL-HNNXBMFYSA-N 353.382 1.783 0 50 FDAA Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cscn2)[C@@H](C)C1 332116295 VGFTXENJQQHPGX-VIFPVBQESA-N 370.456 1.283 0 50 FDAA Cn1cc(C[C@@H]2CCN(C(=O)c3cnn(-c4ccc(F)cc4)n3)C2)cn1 369956981 AKMOGWGKQHFUHT-ZDUSSCGKSA-N 354.389 1.845 0 50 FDAA CC(=O)NCCN1CCC[C@]2(CCC(=O)N(CCc3ccccn3)C2)C1 77471381 BICRORZQNDVDOZ-FQEVSTJZSA-N 358.486 1.465 0 50 FDAA C[C@@H](COc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 72437359 IAMXTPASMDVLHJ-LSDHHAIUSA-N 369.487 1.089 0 50 FDAA O[C@@]1(CN2CCCC2)COCCN(Cc2ccc(C(F)(F)F)nc2)C1 77377139 VAHCQPFQZMEAIS-MRXNPFEDSA-N 359.392 1.760 0 50 FDAA CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)N)cc1 237080755 BXGUZDBSZIJYQE-IUODEOHRSA-N 360.501 1.371 0 50 FDAA COCCCn1cnnc1[C@H](C)NC(=O)c1ccc2c(=O)n(C)cnc2c1 216158294 NZURNEORWVTNTA-LBPRGKRZSA-N 370.413 1.053 0 50 FDAA Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1CN 237617409 UHEKSRJZMPJJOD-GXTWGEPZSA-N 360.501 1.194 0 50 FDAA Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N[C@@H](CN)C1CC1 237675360 NEAIKVWLYRPBMQ-LBPRGKRZSA-N 361.471 1.296 0 50 FDAA O=C1CC[C@]2(CCCN(C(=O)c3ncn[nH]3)C2)CN1Cc1cccnc1 72408572 OJJMSEMZDHBUOA-SFHVURJKSA-N 354.414 1.245 0 50 FDAA Cc1nc2ncccn2c1C(=O)N[C@@H](Cc1ccccn1)[C@H]1C[C@H](O)C1 219026944 MRAVCEMDHLVSKP-IMJJTQAJSA-N 351.410 1.545 0 50 FDAA CC(C)c1cncnc1NCC[C@H]1CN(c2cnn(C)c(=O)c2)CCO1 77503309 NZKCAIBFYRYXLT-HNNXBMFYSA-N 358.446 1.401 0 50 FDAA Cc1cc(=O)nc(S[C@@H](C)C(=O)N2CCC(O)(c3cccnc3)CC2)[nH]1 216112028 GRQCYFOIAVRHHN-ZDUSSCGKSA-N 374.466 1.464 0 50 FDAA CN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)C(=O)CCc1cncn1C 285552745 YGBDQMXFMOWJLN-ICSRJNTNSA-N 356.470 1.883 0 50 FDAA CN1CCC(N(Cc2ccncc2)C(=O)C[C@H]2CCS(=O)(=O)C2)CC1 77406718 QCSJTWCCUJIOSJ-MRXNPFEDSA-N 365.499 1.329 0 50 FDAA Cc1ncc(CC(=O)N2CCC([C@@H](O)CCc3ccccc3)CC2)c(=O)[nH]1 77437898 NCWPIDDHZDTVFT-IBGZPJMESA-N 369.465 1.853 0 50 FDAA CCn1nc(C)c(CN2CCn3nc([C@H](O)CC(=O)N(C)C)cc3C2)c1C 221207618 NLUMBYAPRIWBHV-GOSISDBHSA-N 374.489 1.244 0 50 FDAA Cc1cc(C(=O)N2CCC[C@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)no1 82139165 OIIDSDMUSZSPFO-LJQANCHMSA-N 371.441 1.794 0 50 FDAA COC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)COc1ccc2c(c1)OCO2 82157838 PMOAIBWFPDLTNZ-QWRGUYRKSA-N 354.334 1.089 0 50 FDAA Nc1[nH]nc(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)c1Cl 220488744 IBERRSOURIMVPM-NEPJUHHUSA-N 350.806 1.749 0 50 FDAA CN1CCC(N2CCN(C(=O)c3cccc(-c4nccn4C)c3)CC2)CC1 426689826 FRJLRAFKHQBLPV-UHFFFAOYSA-N 367.497 1.939 0 50 FDAA CN1CCCN(CC(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)CC1 223775991 USPPGJLKTBSHRZ-MOPGFXCFSA-N 361.486 1.114 0 50 FDAA CN(C)S(=O)(=O)CCNC(=O)NC1[C@H]2CC[C@H]1Cc1ccccc1C2 292104029 VTEGGJUAROTFSP-HOTGVXAUSA-N 365.499 1.371 0 50 FDAA Cc1ccccc1CN1CC[C@@H](CNC(=O)Cc2cnc(O)nc2O)C1 426545035 KHAAQPCTBMKCQP-AWEZNQCLSA-N 356.426 1.377 0 50 FDAA Cc1nc(Cc2ccc(NC(=O)NCCOc3nonc3C)cc2)n[nH]1 95520135 NLKODXNMHUQVDT-UHFFFAOYSA-N 357.374 1.596 0 50 FDAA Cc1nnsc1C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2=O 95511642 QBJCACLWIQBHOM-GXTWGEPZSA-N 357.439 1.505 0 50 FDAA Nc1cc(N2CCC[C@]3(CCC(=O)N(Cc4cccnc4)C3)C2)ncn1 91794299 RRPYIPDDZLSVTO-IBGZPJMESA-N 352.442 1.863 0 50 FDAA Cc1c[nH]c(CN(C)C(=O)c2ccc3c(c2)nc(N2CC[C@H](O)C2)n3C)n1 95369609 ARXYTGMTYCJOCD-AWEZNQCLSA-N 368.441 1.448 0 50 FDAA COc1cccc([C@@H]2CCCCN2C(=O)CN2CCC(C(N)=O)CC2)c1 91536248 CBGIWFOZABTRAQ-SFHVURJKSA-N 359.470 1.946 0 50 FDAA CS(=O)(=O)CCNC(=O)N1CCC([C@H](O)CCc2ccccc2)CC1 426701432 NWBLBKYAEAKQRJ-QGZVFWFLSA-N 368.499 1.446 0 50 FDAA Cc1c(NC(=O)N2CCOC[C@H](CO)C2)cccc1C(=O)N1CCCC1 96142218 UQVSUOHUZDPMMZ-HNNXBMFYSA-N 361.442 1.704 0 50 FDAA CSc1ccc2c(c1)CCN(C(=O)Cn1ncc(N(C)C)cc1=O)C2 95519092 QNXYCMROHAUTPR-UHFFFAOYSA-N 358.467 1.616 0 50 FDAA Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)N1CCOCC1)C2 91693879 WIRUMODHDHTQIE-LSDHHAIUSA-N 362.430 1.166 0 50 FDAA CSCCCN1CCC2(CC1)c1nc[nH]c1CCN2S(C)(=O)=O 91595748 YKIMDQONVKTSKT-UHFFFAOYSA-N 358.533 1.272 0 50 FDAA COC(=O)c1cc(OCC2CCC2)cc(C(=O)N2CC[C@@](O)(CO)C2)c1 91943748 QUANKCZYTDYBBR-IBGZPJMESA-N 363.410 1.221 0 50 FDAA CS(=O)(=O)N1CCCC[C@H]1CCNC(=O)c1n[nH]c2c1CCCC2 96140555 KSZDWTFPKDPFJZ-LBPRGKRZSA-N 354.476 1.223 0 50 FDAA Cc1csc(CCCNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)n1 95512492 LDPPQKDVALBMBQ-CQSZACIVSA-N 358.467 1.944 0 50 FDAA O=C1CC[C@@]2(CCCN(C(=O)c3ncc[nH]3)C2)CN1CCc1ccccn1 91691620 AJXANFUSRIILPT-FQEVSTJZSA-N 367.453 1.892 0 50 FDAA CC(C)[C@@H](O)C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 91780148 TUCDJSCJUCVHQS-GOSISDBHSA-N 359.470 1.830 0 50 FDAA CN1C(=O)[C@@H](CC(=O)NCc2ccc(C(F)(F)F)cc2F)N(C)C1=O 97732499 VXYXFNPMLMVAMM-LLVKDONJSA-N 361.295 1.743 0 50 FDAA CC(=O)c1c(C)nn(Cc2nc(CC(N)=O)nn2-c2ccccc2C)c1C 95526966 PKOCBWIOTZCCIS-UHFFFAOYSA-N 366.425 1.668 0 50 FDAA CN(C(=O)c1ccc(N2CCOCC2)cc1)C1CCS(=O)(=O)CC1 244875085 XMJSKCOQKRBAFR-UHFFFAOYSA-N 352.456 1.172 0 50 FDAA CSc1nn2c(=O)cc(CN(Cc3cnn(C)c3)C3CC3)nc2s1 244816886 SQIYFWOFJSDZEK-UHFFFAOYSA-N 362.484 1.771 0 50 FDAA Cn1c(=O)c(CN2CCN(C(=O)c3ccc[nH]3)CC2)cc2ccccc21 244873074 WJPMUHWRKDXNLA-UHFFFAOYSA-N 350.422 1.825 0 50 FDAA O=C(Nc1ccc2nncn2c1)[C@H]1CCCN1C(=O)c1ccccc1O 182975099 LNXQLEIUYDJZJA-CQSZACIVSA-N 351.366 1.678 0 50 FDAA CN1CC[C@@H](NC(=O)N(CCCn2ccnc2)Cc2ccncc2)C1=O 534576641 FDKXEWBJXVWCRT-MRXNPFEDSA-N 356.430 1.111 0 50 FDAA Cc1nc(CCNC(=O)N2CC[C@]3(CN(C)C(=O)CO3)C2)sc1Cl 534659712 IGGYKBRPHRDQFY-HNNXBMFYSA-N 372.878 1.290 0 50 FDAA CC(C)C(=O)N1CCn2nc(CNC(=O)c3ncoc3C3CC3)cc2C1 299779125 UFBCBTMKIJOQQM-UHFFFAOYSA-N 357.414 1.677 0 50 FDAA CCOc1ccc(CN2CCn3nc(CNS(C)(=O)=O)cc3C2)cc1 299795879 LGDSCZGLESDUKL-UHFFFAOYSA-N 364.471 1.347 0 50 FDAA CNC(=O)Cc1ccc(NC(=O)N2CCC[C@@]3(CN(C)C(=O)O3)C2)cc1 299799346 RBPVNWJKRPBDEI-GOSISDBHSA-N 360.414 1.424 0 50 FDAA O=C(c1ccc(O)cc1)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 299770638 XOBIALLOABXRMK-UHFFFAOYSA-N 367.471 1.271 0 50 FDAA O=C1NCCN(C(=O)Nc2cccc(OCc3ccccc3)c2)[C@@H]1CCO 299787523 ONTDGHZYOIPVRC-GOSISDBHSA-N 369.421 1.980 0 50 FDAA COC[C@@H]1CCCN1S(=O)(=O)NCCOc1cccc2cccnc12 824370922 BMRHOPOKGBEPGD-HNNXBMFYSA-N 365.455 1.559 0 50 FDAA CCS(=O)(=O)N1CCN(C(=O)[C@@H](c2ccc(C)cc2)N(C)C)CC1 823413072 UHZIZSHOCOLIDC-MRXNPFEDSA-N 353.488 1.092 0 50 FDAA CN1CCCC[C@H]1Cc1nc(CC(N)=O)nn1-c1ccc2c(c1)CCC2 826841926 FAJBCMZEGZPGSC-INIZCTEOSA-N 353.470 1.811 0 50 FDAA Cc1nccn1CCN1CCN(C)[C@@]2(CCC(=O)N(CC3CC3)CC2)C1 828256328 YXEWAVKZIAWOOY-HXUWFJFHSA-N 359.518 1.600 0 50 FDAA CC(C)N1CCO[C@@H](CC(=O)NCc2csc(-c3cnccn3)n2)C1 821758580 KUWLNGTUHOVJMW-AWEZNQCLSA-N 361.471 1.716 0 50 FDAA CCC(=O)N1CCC2(CC1)CN(C(=O)c1cccc3c1OCCO3)CCO2 822529635 NKDBFIKJAMIWCQ-UHFFFAOYSA-N 374.437 1.701 0 50 FDAA Cc1cc(C(F)(F)F)n(-c2nc(C(=O)NCc3nc(O)n[nH]3)cs2)n1 670447964 YTJOZEZBWLPCKU-UHFFFAOYSA-N 373.320 1.410 0 50 FDAA Cn1nc2n(c1=O)C[C@@H](C(=O)NCCCn1ccc3ccccc31)CC2 670437045 TZOHJCXQSYIFIE-HNNXBMFYSA-N 353.426 1.305 0 50 FDAA O=C(NCCc1cnn(-c2ccccc2)c1)c1ccc(-n2cnnc2)nc1 670473489 FYXAJOVEGSCBKE-UHFFFAOYSA-N 359.393 1.821 0 50 FDAA Cn1c(O)nnc1[C@H]1[C@@H](C2CC2)CCN1C(=O)c1occ2c1CCOC2 1875401548 KZQXASMKENNFCH-TZMCWYRMSA-N 358.398 1.800 0 50 FDAA NCCn1cc(C(=O)N(Cc2ccsc2)[C@@H]2CC23CCNCC3)nn1 952893967 KYTDDARZELQWHU-OAHLLOKOSA-N 360.487 1.083 0 50 FDAA CN1CCC[C@@H]1[C@](C)(O)c1ccc(OC[C@@H]2C[N@]2Cc2cnn(C)c2)cc1 1875385182 NVEULSGEFDCSOI-ONFVETCGSA-N 370.497 1.985 0 50 FDAA C=CC(=O)N1CCC(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2)CC1 1875369475 QHHJIASSZRZZDH-MRXNPFEDSA-N 373.478 1.951 0 50 FDAA C=CC(=O)N1CCC(C(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)CC1 1875369467 PWGXTQYBNKEWPN-UHFFFAOYSA-N 369.465 1.457 0 50 FDAA C[C@@H](Sc1nc(CC(=O)Nc2n[nH]c3c2NCCC3)cs1)C(N)=O 1875357172 VVXNBGFKQPPHDS-SSDOTTSWSA-N 366.472 1.371 0 50 FDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(CN4CCNC4=O)CC3)n[nH]c21 1875396913 XHRUBBXQNHQNGR-NEPJUHHUSA-N 361.446 1.309 0 50 FDAA Cc1cocc1C(=O)N1CCN(C(=O)C2(C(F)(F)F)CC2)C[C@@H]1CCO 1875332868 ONQMXWJRRABZNO-LBPRGKRZSA-N 374.359 1.966 0 50 FDAA NC(=O)CN1CCC[C@@H](C(=O)NCc2cc(F)cc(C(F)(F)F)c2)C1 952981331 SQJKUFFZXSQPFV-LLVKDONJSA-N 361.339 1.658 0 50 FDAA CCn1c(C)cc(C(=O)N[C@H]2CCN(Cc3cscn3)C[C@@H]2O)c1C 1565512564 HBIVUVZVOPVOGZ-IRXDYDNUSA-N 362.499 1.947 0 50 FDAA O=C(CN1C(=O)CCc2ccccc21)NC1(c2ncon2)CCOCC1 274138737 XANMGXZPYFYEJG-UHFFFAOYSA-N 356.382 1.171 0 50 FDAA CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCOCC3(CC3)C2)o1 170593917 OHUQGBGWRJMYJG-UHFFFAOYSA-N 356.444 1.609 0 50 FDAA CC1(C)CN(C(=O)[C@@H](Cc2ccccc2)NC(N)=O)C[C@@]2(CCOC2)O1 280712457 XXEMEAPAPNBSPE-DNVCBOLYSA-N 361.442 1.063 0 50 FDAA Cc1cc(CNC(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)n[nH]1 733285491 DNUBWLMQRNTTOI-UHFFFAOYSA-N 370.381 1.367 0 50 FDAA CN1N=C(C(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)CCC1=O 1704353403 VXWGUHHDNLBVEQ-KDOFPFPSSA-N 366.421 1.517 0 50 FDAA CN1CCC[C@]2(C(=O)O)CCN(C(=O)c3ccc(-n4cccn4)cc3)C[C@@H]12 1704303991 JYYSYZPJAHWDCH-XLIONFOSSA-N 368.437 1.883 0 50 FDAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](N(C)CCCN(C)C)C1 12744430 ULPYQGQTWBLSDJ-HNNXBMFYSA-N 358.508 1.328 0 50 FDAA O=C(Cn1cnc2ccccc2c1=O)N1CCN(Cc2ccccc2)CC1 19831711 NBCQAPQXUOCJHL-UHFFFAOYSA-N 362.433 1.741 0 50 FDAA Cc1ccc([C@@H]2NC(=O)N(CC(=O)NC(C)(C)C)C3=C2C(=O)OC3)cc1 169757977 JELYQHNIXZOMEW-INIZCTEOSA-N 357.410 1.787 0 50 FDAA O=C(NCc1cccnc1)[C@@H]1[C@@H]2C(=O)N(C3CCCC3)C[C@@]23C=C[C@H]1O3 165862478 UROUHZNCYQHZAL-YZLZLFLDSA-N 353.422 1.422 0 50 FDAA N=c1[nH]c(CCCNC(=O)[C@@H]2CC(=O)N(c3nccs3)C2)cs1 1857719723 TXHLELDXRWLAJR-SECBINFHSA-N 351.457 1.114 0 50 FDAA CN1CCc2nc(CNC(=O)[C@H]3CC[C@H](c4ccccc4)N3)ncc2C1 1857721797 GVOYFMPFFNMZPQ-SJLPKXTDSA-N 351.454 1.574 0 50 FDAA 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0 50 FDAA Cn1ncc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)c1N 183925795 KNUISJDICZJJLJ-OAHLLOKOSA-N 363.849 1.459 0 50 FDAA Cn1c(CO)nnc1C1CCN(C(=O)N[C@H]2CCc3ccccc3C2)CC1 534658068 JMBBKFKWZMFLAN-KRWDZBQOSA-N 369.469 1.754 0 50 FDAA O=C(NC[C@@]1(O)CCCNC1)c1ccc(-c2ncnc3[nH]ccc23)cc1 534676746 LFIIQPZEYDJXEJ-LJQANCHMSA-N 351.410 1.469 0 50 FDAA Cc1nnc(-c2ccc(C)c(NC(=O)N3CCN4CCNC(=O)[C@H]4C3)c2)o1 299773060 AEJHXSYPGZYQQS-OAHLLOKOSA-N 370.413 1.001 0 50 FDAA CCCOCCN1CCN(C(=O)c2cccc(-c3nc(C)n(C)n3)c2)CC1 299775039 JHARRGOMLHFEBC-UHFFFAOYSA-N 371.485 1.975 0 50 FDAA CC(C)c1nc(CCNC(=O)C2CCN(C(=O)c3ccccn3)CC2)no1 299786517 MTHSNFNMBFGTJB-UHFFFAOYSA-N 371.441 1.799 0 50 FDAA CS(=O)(=O)NC1CCN(C(=O)c2cccc(-c3ncccn3)c2)CC1 299786123 RFZFEJTXVYEEEB-UHFFFAOYSA-N 360.439 1.297 0 50 FDAA Cc1noc(C)c1CN1CC[C@@H](NC(=O)CCc2ccc(O)cc2)[C@H](O)C1 299775529 KFPJYINIAFIKMU-RTBURBONSA-N 373.453 1.681 0 50 FDAA CCN1CCN(Cc2ccc(CNC(=O)c3cncnc3N)cc2)CC1 185421667 PVWQQWWKRVYMOW-UHFFFAOYSA-N 354.458 1.126 0 50 FDAA 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RSONUSMTILYOIS-UHFFFAOYSA-N 354.336 1.500 0 50 FDAA Cc1nc(O)nc(O)c1CC(=O)N(Cc1ccc2c(c1)OCO2)C1CC1 952973350 SIGGJTMFXRBTNV-UHFFFAOYSA-N 357.366 1.659 0 50 FDAA Cc1cnn(C[C@@H]2CN(C(=O)c3c[nH]nc3C3CCOCC3)CCO2)c1 886075656 SHLSOLWXCZBSIV-HNNXBMFYSA-N 359.430 1.350 0 50 FDAA Cn1c(CC(=O)N[C@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)cc2ccccc21 888095634 WFZUCRIGTVKLMQ-KNBMTAEXSA-N 355.438 1.663 0 50 FDAA CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@@H]2C(=O)O)c1 272400059 JAJSOHUNNOQLAC-GFCCVEGCSA-N 360.819 1.327 0 50 FDAA O=C(c1ccc(O)nc1)N1CC[C@H]2[C@H](CCC(=O)N2CCc2cnc[nH]2)C1 1565511300 HBQCZFIQRAWTRS-ZBFHGGJFSA-N 369.425 1.206 0 50 FDAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)CCc1c(C)nc(O)nc1C 1565515815 KVEVAVMFZTXYQD-IRXDYDNUSA-N 363.458 1.988 0 50 FDAA O=C(N[C@H]1CCN(c2cnccn2)C[C@@H]1O)c1cccc(-n2cccn2)c1 1565526882 PDJSIERCLUWJQH-IRXDYDNUSA-N 364.409 1.032 0 50 FDAA CO[C@H]1CCOC[C@@H]1NC(=O)CCN1CCN(c2cccc(C)c2)CC1 1565505890 WOQDGPAKOHEDNF-OALUTQOASA-N 361.486 1.427 0 50 FDAA COc1cc2c(cc1CNC(=O)[C@@H]1COCCN1CC(F)F)O[C@@H](C)C2 185876564 HUTIUBYWRDANPP-FZMZJTMJSA-N 370.396 1.601 0 50 FDAA Cn1ccnc(N2CCC[C@H](NC(=O)C3(c4ccccc4)CC3)C2)c1=O 275533178 DWLUQIMOWRZPOA-INIZCTEOSA-N 352.438 1.597 0 50 FDAA Cc1cc(=O)c(C(=O)N2C[C@H](c3ccc4c(c3)OCO4)[C@@H](C(=O)O)C2)c[nH]1 1073285137 ZTQOJHZOKZNEKT-KGLIPLIRSA-N 370.361 1.352 0 50 FDAA C[C@@H](CC(=O)NCc1ccc(N2CCN(C)CC2)nc1)N1CCCCC1=O 170607885 MYFBYXZZHXTZOK-INIZCTEOSA-N 373.501 1.241 0 50 FDAA Cn1nc([C@H]2CCCOC2)cc1NC(=O)CN1Cc2ccccc2C1=O 279337784 NXAMXZQUICCLCF-AWEZNQCLSA-N 354.410 1.909 0 50 FDAA O=S(=O)(N[C@@H]1CCN(CC2CCCC2)C1)c1cnn(CC(F)F)c1 187232175 QVTSXLDJATYBLX-CYBMUJFWSA-N 362.446 1.691 0 50 FDAA CCOC(=O)[C@]12CNC[C@@]1(C(F)(F)F)CN(C(=O)OC(C)(C)C)C2 95740433 YFDUJMAXOJZICU-ZIAGYGMSSA-N 352.353 1.939 0 50 FDAA in-vitro CN(C(=O)c1ccc2c(c1)nnn2C)[C@H]1CCN(Cc2ccccc2)C1=O 189749518 OVJXBVAHQORTRH-SFHVURJKSA-N 363.421 1.841 0 50 FDAA Cc1c(C(=O)N2CCCN(Cc3nc4ccccc4n3C)CC2)cnn1C 1529187236 QCLQFLCZQXDAOS-UHFFFAOYSA-N 366.469 1.963 0 50 FDAA CC(=O)c1cccc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC(=O)N(C)C)c1 222120433 PZBKNIFPNNLNOR-SJORKVTESA-N 371.437 1.040 0 50 FDAA CC(=O)Nc1ccccc1SCC(=O)N1C[C@H]2COC[C@@H](C1)CN2C 1704304883 OSMTTYLEVMBSIO-CABCVRRESA-N 363.483 1.526 0 50 FDAA Cn1c(=O)c(C(=O)N2C[C@H](C(=O)O)C3(CCOCC3)C2)cc2ccccc21 1800410153 OWQJIJMXDZIQAJ-OAHLLOKOSA-N 370.405 1.492 0 50 FDAA CC(C)S(=O)(=O)N1CCCN(C(=O)c2cccc3c2CCC3=O)CC1 1800414331 NHBITFXLHRRSAO-UHFFFAOYSA-N 364.467 1.702 0 50 FDAA COc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc(OC)c1OC 1221165 ZTYKHZJATULJFY-IZZDOVSWSA-N 353.352 1.833 0 50 FDAA Cc1cc(C)c2nccc(N3C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C3)c2c1 1615958734 VDYNBMCHFCEQOZ-PBHICJAKSA-N 363.483 1.540 0 50 FDAA Cc1c(CN2C[C@H]3CN(c4ncccn4)C[C@@]3(CCC(=O)O)C2)cnn1C 1772819564 OYYKFJHBAVHGSD-QFBILLFUSA-N 370.457 1.322 0 50 FDAA CN1CC[C@]2(C(=O)NCc3ccon3)CCCN(C(=O)c3ccc[nH]3)[C@H]2C1 1775977790 JGIFEFIGWWTDSS-QFBILLFUSA-N 371.441 1.246 0 50 FDAA O=C(c1cccc2c1OCCO2)N1CCCN(Cc2ccc(CO)o2)CC1 1775983945 WNRZEZZXQLRVSZ-UHFFFAOYSA-N 372.421 1.891 0 50 FDAA CN(CC(=O)N[C@@H]1CCCN(Cc2ccccn2)C1)Cc1cccnc1 12434495 UGEXDCNQHHYAHT-LJQANCHMSA-N 353.470 1.689 0 50 FDAA CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)CCn1cnnn1 12836694 ZTJRLEGHZZBSLV-UHFFFAOYSA-N 374.464 1.615 0 50 FDAA Cc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1S(=O)(=O)N1CCOCC1 13649705 HTQQGXSFWKIZSI-CQSZACIVSA-N 366.483 1.888 0 50 FDAA CN(C)S(=O)(=O)c1csc(C(=O)N[C@@H](C(=O)O)c2ccccc2)c1 17070367 GBFOOWVZXPXWSC-CYBMUJFWSA-N 368.436 1.554 0 50 FDAA CC(=O)N1CCN(C[C@@H](O)COc2ccc(Br)cc2)CC1 19812542 SMZSWCPZYNELNY-CQSZACIVSA-N 357.248 1.353 0 50 FDAA COc1cccc2c(CC(=O)N[C@H]3C[C@H](Cn4cccn4)C[C@@H]3O)c[nH]c12 1857527184 YOFUTYMAESKQLX-JQFCIGGWSA-N 368.437 1.871 0 50 FDAA O=C(N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1)c1n[nH]c(O)n1 1857716679 DKDZEGZAAGMAPZ-FRRDWIJNSA-N 363.805 1.108 0 50 FDAA Cc1c(C(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)nc2ccccn12 1857719549 OGTPMGYLZLZVLO-UHFFFAOYSA-N 355.398 1.141 0 50 FDAA O=C1C[C@@H](c2ccc(-c3cc(C(=O)N4CCOCC4)ccn3)cc2)CN1 1875249077 CYIRMNKXZBOTHQ-QGZVFWFLSA-N 351.406 1.825 0 50 FDAA COCCN1C[C@H]2CN(Cc3c[nH]nc3-c3ccccc3)C[C@@]2(C(=O)O)C1 247833767 IKKVAVMFDCDFHC-PXNSSMCTSA-N 370.453 1.542 0 50 FDAA Cc1noc(C)c1CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccc(CO)o1)C2 251981897 GDZRYIRHNQJDEV-KGLIPLIRSA-N 373.409 1.640 0 50 FDAA CC(C)C[C@H](CNC(=O)c1cnn(CC(F)(F)F)c1)N1CCOCC1 252571294 XROWYNYECZBPKB-CQSZACIVSA-N 362.396 1.922 0 50 FDAA COc1ccccc1OCCN(C)C(=O)c1nnn(C2CCNCC2)c1C 151995300 YJEUUHWWBYSKLL-UHFFFAOYSA-N 373.457 1.671 0 50 FDAA COCCN1CCC[C@]2(CCCN2Cc2cnn3c(C)cc(C)nc23)C1=O 2100543779 YPQPFNNIWXMLRA-FQEVSTJZSA-N 371.485 1.950 0 50 FDAA O=C1CC[C@@H](NC(=O)c2ccc3nc(-c4ccncc4)oc3c2)C(=O)N1 1857797963 GWQPWXQCNSHKSU-CYBMUJFWSA-N 350.334 1.425 0 50 FDAA NC(=O)C1(CNC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 2325794850 UGAVZPUCXAPTMO-MRXNPFEDSA-N 365.842 1.651 0 50 FDAA NCc1cn([C@@H]2CCN(C(=O)CCc3cncc4ccccc34)C2)nn1 2325795237 RZWSEJWQPKJUDQ-QGZVFWFLSA-N 350.426 1.691 0 50 FDAA O=C1N[C@@H](c2ccc(OCC(F)F)cc2)C(=O)N2CC3(CCC3)OC[C@H]12 2325808975 JFGKBFCEYDXTCY-HIFRSBDPSA-N 366.364 1.652 0 50 FDAA O=C(NCc1cc(C2CCNCC2)no1)c1ccnc(-c2ncc[nH]2)c1 2325859636 DWDWWRRRAXXEMZ-UHFFFAOYSA-N 352.398 1.857 0 50 FDAA O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2ccccc2)CC1 893976 CTWVDRKGORXLNZ-UHFFFAOYSA-N 360.435 1.969 0 50 FDAA O=C(Nc1ccon1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 952736 UMQAKTPQRBDDJG-LBPRGKRZSA-N 351.384 1.384 0 50 FDAA CC(=O)NS(=O)(=O)c1ccc(NC(=O)COc2cccc(C)c2)cc1 1003636 MVQUXVDLCYBEPX-UHFFFAOYSA-N 362.407 1.837 0 50 FDAA O=C1C[C@@H](C(=O)N2CCC(OC(F)(F)F)CC2)CN1Cc1ccncc1 2356146609 MZRBNNJCMFQSOG-CYBMUJFWSA-N 371.359 1.958 0 50 FDAA Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@@H]3CCCO3)C2)cc1 4558713 FSKXIMWGZGUUEN-CVEARBPZSA-N 366.483 1.691 0 50 FDAA COc1ccc([C@H]2NC(=S)NC(C)=C2C(N)=O)cc1Br 4574684 SDMCHRIGKOJBFJ-LLVKDONJSA-N 356.245 1.736 0 50 FDAA COc1cccc(CN(C)Cc2nncn2C)c1OCCn1ccnc1 55099015 CEURCRQVXGIIRS-UHFFFAOYSA-N 356.430 1.731 0 50 FDAA O=C(NCCc1ccccc1)N1CCC(n2cc(CCCO)nn2)CC1 23431557 FCQSFXGICMTCKQ-UHFFFAOYSA-N 357.458 1.792 0 50 FDAA CC(C)c1nc(NCCCN2CCC[C@H](C(N)=O)C2)c2cnn(C)c2n1 72150818 YOPXLKRFAMFXKE-ZDUSSCGKSA-N 359.478 1.486 0 50 FDAA Cc1ccnc(-n2nc(-c3ccccc3)nc2CC[C@H]2NC(=O)NC2=O)c1 63868057 CFPIKLJPYDYUEV-CQSZACIVSA-N 362.393 1.778 0 50 FDAA COc1ncccc1NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O 409413204 FSBPKEQXAWRPRR-CYBMUJFWSA-N 354.366 1.560 0 50 FDAA biogenic O=C1CC[C@@H](NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)C(=O)N1 152124512 YXODQHABQBVTOJ-GFCCVEGCSA-N 361.785 1.849 0 50 FDAA CCc1cc(O)nc(CN2CCC[C@H]2c2nc(C(=O)NC3CC3)no2)n1 328641167 QKDICXGFFDGCME-LBPRGKRZSA-N 358.402 1.357 0 50 FDAA Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)Cn2ccnn2)cs1 328606063 QFNJERZEGLVGDM-JSGCOSHPSA-N 352.439 1.114 0 50 FDAA Cc1cc(NC(=O)N2CCO[C@H](c3ccnc(N4CCCC4)n3)C2)nn1C 328643806 YYIUFSQOAWFQPU-HNNXBMFYSA-N 371.445 1.724 0 50 FDAA COc1cc(C)c(S(=O)(=O)Nc2cncc(N3CCCC3)n2)cc1C 332409208 QGKUVXTUJJNFBW-UHFFFAOYSA-N 362.455 2.503 0 50 FDAA Cc1cccc(CN2CCN(Cc3cnc(N4CCOCC4)nc3)CC2)c1 72162782 LCOHWEIXGNNJAZ-UHFFFAOYSA-N 367.497 1.939 0 50 FDAA CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CC[C@H](N2CCCC2=O)C1 330055268 UCCUEIYMQNTCHK-PKOBYXMFSA-N 369.465 1.746 0 50 FDAA C[C@@H](OC[C@H]1CCCO1)C(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 155903195 RJPOTYFIRDXNNC-HZPDHXFCSA-N 372.469 1.791 0 50 FDAA Cc1cc(C)c(C(=O)N2CCC[C@@H](c3nnc(CN(C)C)n3C)C2)c(=O)[nH]1 72408787 PPUACZSLHNKQCU-CQSZACIVSA-N 372.473 1.202 0 50 FDAA O=C(Cn1ncc2ccccc21)NC[C@H](c1ccncc1)N1CCOCC1 215835574 RDNMYFKWPMVVPV-LJQANCHMSA-N 365.437 1.621 0 50 FDAA O=C(NC[C@H]1CCC[C@@]12NC(=O)NC2=O)Nc1cccc2c1OCCC2=O 371610109 BGMYYNMITSYSNN-MLCYQJTMSA-N 372.381 1.152 0 50 FDAA Cc1nnc(SCC(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)o1 219746463 AXLVNKPFCXOHHM-KGLIPLIRSA-N 367.402 1.962 0 50 FDAA COCCn1c(CNC(=O)c2ccn3nnnc3c2)nc2ccccc21 218330013 CSWRRRQGWVYRGX-UHFFFAOYSA-N 351.370 1.050 0 50 FDAA CCOc1ccc(CN2CCN(c3cc(N)nc(N)n3)C[C@@H]2CCO)cc1 72419909 ZDDJKASSFFUNHW-HNNXBMFYSA-N 372.473 1.113 0 50 FDAA COc1cc(CNC(=O)CN2CCCC[C@H]2C(=O)O)cc(OC)c1OC 262243464 BXDWHLRUSAOUJY-ZDUSSCGKSA-N 366.414 1.268 0 50 FDAA Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)C3CCCC3)CC2)n1 77137430 RATPTVWHYOZXAG-UHFFFAOYSA-N 372.517 1.376 0 50 FDAA CC(C)[C@@H]1CN(C(=O)c2[nH]nc3c2CN(C)CC3)CCC(=O)N1CC1CC1 71730607 OPJVVSJFADUIMY-KRWDZBQOSA-N 373.501 1.507 0 50 FDAA C[C@H]1COCC[C@@H]1CNC(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 376532236 KGCLVGQFTPYVLE-LSDHHAIUSA-N 373.519 1.259 0 50 FDAA Cc1cccc(NC[C@H]2CCCN2C(=O)c2nc3nccc(C)n3n2)n1 377723890 SYFPKUGFLJLJTD-CQSZACIVSA-N 351.414 1.853 0 50 FDAA NC(=O)C1(C(=O)N2CCC3(CC2)CN(CCc2ccccc2)C(=O)O3)CC1 77518837 VPQIDMVQHMXQII-UHFFFAOYSA-N 371.437 1.308 0 50 FDAA COCCc1noc([C@H]2CCCN(c3ncnc4c3c(C)nn4C)C2)n1 72476872 WKRHGLAYGFAHDR-LBPRGKRZSA-N 357.418 1.628 0 50 FDAA CN(Cc1ccccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CC(C)(C)C)C(=O)[C@H]13)O2 77517383 JXNCEOXWJAEPGF-DLRJPAPCSA-N 369.465 1.868 0 50 FDAA CN(C)S(=O)(=O)NC[C@H]1CCCN(Cc2ccc(O)c(Cl)c2)C1 14960532 KILNMZQPEXNVRR-CYBMUJFWSA-N 361.895 1.654 0 50 FDAA COc1cc(C(=O)N2CC(=O)N(c3ccccc3OC)C[C@H]2C)ccn1 82134125 OFDNWQZBMKXHOA-CYBMUJFWSA-N 355.394 1.976 0 50 FDAA CN(C)Cc1nc(C(=O)N2CCn3nc([C@H](O)C4CC4)cc3C2)cs1 223363494 BQYGJAFFTVIJJD-MRXNPFEDSA-N 361.471 1.501 0 50 FDAA CC1CN(Cc2cnnn2C)c2ccccc2N(Cc2cnnn2C)C1 289444409 ZHSVWKABKWWHQV-UHFFFAOYSA-N 352.446 1.607 0 50 FDAA O=C(N[C@H](c1ccncc1)c1ccc(F)cc1)N1CCN(CCO)CC1 426382603 DMKDIVAUXLWGHH-SFHVURJKSA-N 358.417 1.630 0 50 FDAA COc1ccc(O)cc1CN1CCC[C@]2(CCC(=O)N(CCCO)C2)C1 82083219 YTUIYEDWSQBLAI-FQEVSTJZSA-N 362.470 1.988 0 50 FDAA COc1ccc(C(=O)N2CCN(c3cccnc3)CC2)c(OCCN)c1 426489727 XKPVFRFFLLPQBD-UHFFFAOYSA-N 356.426 1.390 0 50 FDAA O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(N2CCNCC2)cn1 327828475 MGEZUNCLRYIHKD-UHFFFAOYSA-N 363.399 1.200 0 50 FDAA COCCOc1ccc(-n2nc(C)c(C(=O)N(C)[C@H]3CCNC3)n2)cc1 179052612 SPJXDYMYMBPXSC-HNNXBMFYSA-N 359.430 1.035 0 50 FDAA O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCCC1)c1ccccc1-c1nnn[nH]1 223544686 JDSXUUBKTCRPDM-YYIAUSFCSA-N 368.441 1.238 0 50 FDAA CN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3cc(N)ccn3)CC2)[C@H]1O 20212293 XNRQFYJCCOVBID-MOPGFXCFSA-N 366.465 1.815 0 50 FDAA Cc1cccc(=O)n1CCC(=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 426486149 XLESDILCQZDPEE-NRFANRHFSA-N 371.481 1.798 0 50 FDAA CNc1ncc(C(=O)N[C@@H]2CCOC[C@H]2OCc2c(C)noc2C)cn1 223334741 JTAGDOXCRDNYDQ-HUUCEWRRSA-N 361.402 1.227 0 50 FDAA CC(=O)c1c(C)nn(CCC(=O)N2CCN(c3ccccc3)C(=O)C2)c1C 82106522 XUFSEQCDOGUNII-UHFFFAOYSA-N 368.437 1.968 0 50 FDAA Nc1ccc(-c2ccc(C(=O)N[C@H]3COC[C@@H]3N3CCCC3)cc2)cn1 426689384 ZUZQHVXCPDDAJI-ROUUACIJSA-N 352.438 1.924 0 50 FDAA CCOc1ncccc1C(=O)N[C@@H]1CCN(Cc2cscn2)C[C@H]1O 426552397 WLXMDHGWCSQPKU-HUUCEWRRSA-N 362.455 1.302 0 50 FDAA CC(C)[C@@H]1CN(CCOc2ccccc2)C[C@H]1NS(=O)(=O)N(C)C 95366984 RWYYAJJDWDYIAQ-DLBZAZTESA-N 355.504 1.418 0 50 FDAA COc1cccc(C(=O)N2CCN([C@@H](C(=O)O)c3ccc(O)cc3)CC2)c1 95375534 NTLJDGGZZMXPBI-GOSISDBHSA-N 370.405 1.985 0 50 FDAA Cc1cc(=O)n(CC(=O)N2Cc3nnc(C)n3[C@H](C)C2)c2ccccc12 96148827 RQGQZGOXVSRDSR-CYBMUJFWSA-N 351.410 1.813 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Cn1c(O)nnc1[C@H]1[C@H](C2CC2)CCN1c1ccc(-n2ccnc2)nn1 1875399652 GLXAHGLSISKOOQ-SWLSCSKDSA-N 352.402 1.474 0 50 FDAA CC(C)(Oc1c(F)cccc1F)C(=O)N=c1nc[nH]n1-c1ncccn1 1875316046 RTXMPIOVWFBVDQ-UHFFFAOYSA-N 360.324 1.554 0 50 FDAA COc1cccc(C2CC(NC[C@H]3C[C@@H](O)CN3c3cc(N)ncn3)C2)c1 1875398189 FZCIHWFQPLHYQH-BHUNQDJPSA-N 369.469 1.543 0 50 FDAA O=C(NC[C@@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1)C1CCOCC1 952978820 FPWCPAJPCHBTRS-AWEZNQCLSA-N 370.453 1.958 0 50 FDAA CN1CCN(C(=O)c2cc(NC(=O)N3CC(CC4CC4)C3)ccn2)CC1 888100729 LJBHPTHOBUTKNC-UHFFFAOYSA-N 357.458 1.733 0 50 FDAA NC(=O)c1ccc(O[C@H]2COCC[C@@H]2NC(=O)CCCc2cn[nH]c2)cc1 1565512503 MUVQYWXINQRCDS-IRXDYDNUSA-N 372.425 1.184 0 50 FDAA Cc1noc(C)c1CN1CC[C@H](NC(=O)c2ccc(Cl)cn2)[C@@H](O)C1 1565511400 GDYVONAOQYPPDV-HOCLYGCPSA-N 364.833 1.705 0 50 FDAA O=C(N[C@H]1CCOC[C@@H]1OCc1cscn1)c1cc2ncccn2n1 1565512297 MIVPNZIZODLAAU-JSGCOSHPSA-N 359.411 1.290 0 50 FDAA CCN(CCO)CCNC(=O)c1cc(Br)c2c(c1)OCCO2 170597585 PCBVZQGWKOIUQP-UHFFFAOYSA-N 373.247 1.264 0 50 FDAA CN1CCC[C@]2(C(=O)O)CCN(S(=O)(=O)c3cccc(Cl)c3)C[C@@H]12 1529189133 ICPMEMDSTQHVFD-ZBFHGGJFSA-N 372.874 1.900 0 50 FDAA O=C1CO[C@H](C(=O)N2CCc3[nH]nc(C4CC4)c3C2)[C@@H](c2ccccc2)N1 1529191679 BLHQFNRLLLWIHO-MOPGFXCFSA-N 366.421 1.428 0 50 FDAA COc1cccc(F)c1C(=O)N[C@]1(C)CCOC2(CCNCC2)[C@H]1O 1704337398 WBANPCSUFUQGLM-DLBZAZTESA-N 352.406 1.226 0 50 FDAA Cc1ccc(N2CCC(N(C)[C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1Cl 212457780 ZOZOIUCCIYNTAA-IRXDYDNUSA-N 372.918 1.707 0 50 FDAA CS(=O)(=O)c1ccc(C(=O)N2C[C@H](c3ccncc3)[C@@H](C(=O)O)C2)cc1 213178488 JEXMMXYOKHZQOE-CVEARBPZSA-N 374.418 1.426 0 50 FDAA CCc1cc(N[C@@H](Cc2ccc(O)cc2)C(N)=O)nc(N2CCOCC2)n1 1704299937 VRXLNJQCHAVPFE-INIZCTEOSA-N 371.441 1.090 0 50 FDAA CCCCS(=O)(=O)N1CCCN(C(=O)c2cc(C)nn2CC)CC1 1772813622 KBSFGSGOKUJMND-UHFFFAOYSA-N 356.492 1.489 0 50 FDAA CCc1ncnc(N2CCCN(C(=O)c3cc(OC)ccn3)CC2)c1F 1772819074 PDCNNFOBXOALQM-UHFFFAOYSA-N 359.405 1.934 0 50 FDAA Cc1ccc(OCc2cc(C(=O)NCCN3CCCCC3=O)no2)cn1 12306280 YIJDVAJLBHKPCT-UHFFFAOYSA-N 358.398 1.699 0 50 FDAA Oc1cc(Br)cnc1CN[C@H]1C[C@H](Cn2cccn2)C[C@@H]1O 1857531253 WSEYKUVFIZIARH-JKOKRWQUSA-N 367.247 1.676 0 50 FDAA CCN1CCN(CCOc2ccc(CN3C[C@H]4C[C@H](O)C[C@H]4C3)cc2)CC1 1857682491 LGZJLTUEFPVLDT-AERCQKQUSA-N 373.541 1.906 0 50 FDAA CN1C(=O)CCO[C@H]2CN(C(=O)c3cnn(Cc4ccccc4)c3)C[C@@H]21 1857706285 ONWYLXNXTADBJN-IRXDYDNUSA-N 354.410 1.003 0 50 FDAA O=C(c1cncnc1O)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857710347 SAVKLPHEAKGEFI-KHYOSLBOSA-N 366.377 1.097 0 50 FDAA CN(C)C(=O)CCC(=O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857717768 XNRNOUSBCJGVLY-RXVVDRJESA-N 373.497 1.919 0 50 FDAA COc1cccc2[nH]c(C(=O)N3CC[C@@]45OCCCN4C(=O)C[C@@H]35)cc12 1857723349 BODBKFXNKQNYLP-APWZRJJASA-N 355.394 1.740 0 50 FDAA O=S(=O)(NCc1cc(O[C@@H]2CCNC2)ccn1)c1ccccc1F 842898346 YJDWJHOWXRZIEN-CQSZACIVSA-N 351.403 1.440 0 50 FDAA C[C@H]1C[C@@H](C(=O)N2CCC(n3cc(Br)cn3)CC2)CC(=O)N1 408207380 WLOSLPJDNMNVFA-WDEREUQCSA-N 369.263 1.724 0 50 FDAA CCCc1cc(=O)n2[nH]c(NC(=O)c3ccc4c(c3)OCCO4)nc2n1 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CC1(C)CNC[C@@H](CNC(=O)c2c[nH]c3ncc(Br)cc23)O1 2325801453 JAIXYCJOBOJNSJ-JTQLQIEISA-N 367.247 1.822 0 50 FDAA COc1ccc(-c2cc(C(=O)N[C@@H](C)c3nc([C@@H](C)O)n[nH]3)n[nH]2)cc1 2325852218 WQLGVGAPELXZOX-VHSXEESVSA-N 356.386 1.748 0 50 FDAA C[C@H](CO)C(=O)N1CC[C@](C)(CNC(=O)c2ccc3cccnc3c2)C1 2325871351 IUMAAKUQSJKJBY-JLTOFOAXSA-N 355.438 1.832 0 50 FDAA O=S(=O)(N(c1ccccn1)S(=O)(=O)C(F)(F)F)C(F)(F)F 1081185 DXLQEJHUQKKSRB-UHFFFAOYSA-N 358.241 1.587 0 50 FDAA COCCN1CCC[C@@]2(CCCN2C(=O)c2cnc(O)c(Cl)c2)C1=O 2356139303 VWOICGPSFACMFW-QGZVFWFLSA-N 367.833 1.684 0 50 FDAA N[C@H]1CC[C@@H](n2cc(C(=O)N3CCC[C@]4(CCc5c[nH]nc54)C3)nn2)CC1 2356140756 PIGNQRLSWQJFOT-KHYOSLBOSA-N 369.473 1.564 0 50 FDAA CCn1cc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cn1 6706513 IADNEJCOSMMZIB-UHFFFAOYSA-N 361.427 1.502 0 50 FDAA O=C(NC[C@@H](c1ccco1)N1CCCCC1)N[C@H]1CCc2ncnn2C1 112739983 FQRZYUOVZICULU-GJZGRUSLSA-N 358.446 1.712 0 50 FDAA CC(C)(C)n1ncnc1CNC(=O)N1CCN(C(=O)c2ccco2)CC1 282577442 GSHLIAGPBWZJFI-UHFFFAOYSA-N 360.418 1.294 0 50 FDAA CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(OC)c(-n2cnnn2)c1 120371932 VXAHSMZSLDXCSR-LBPRGKRZSA-N 368.401 1.090 0 50 FDAA O=C(NCc1ccccc1Br)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 104254738 HXAFKQFUZSHYEW-LPWJVIDDSA-N 354.200 1.944 0 50 FDAA COC(=O)c1cc2n(n1)CCCN(C(=O)c1cc(=O)c3ccccc3o1)C2 65396584 SWFGJYQXBWQMEF-UHFFFAOYSA-N 367.361 1.822 0 50 FDAA c1csc(CN2CCN(c3nccc(N[C@@H]4CCCOC4)n3)CC2)c1 333284279 QDPTXROVMPKVPN-OAHLLOKOSA-N 359.499 2.451 0 50 FDAA O=C(c1cccs1)N1CCC(CS(=O)(=O)N2CCOCC2)CC1 328598310 LEGDUNBETKMAIJ-UHFFFAOYSA-N 358.485 1.262 0 50 FDAA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)c1ccc2nnnn2n1 328602311 BBDZRSQYDGOTOU-RYUDHWBXSA-N 362.438 1.333 0 50 FDAA CCN1CCC[C@@H](CN(C)CCCNS(C)(=O)=O)[C@@H]1c1cnn(C)c1 328630530 JLJVZBZMLNVKKS-DOTOQJQBSA-N 371.551 1.064 0 50 FDAA Cc1nn(C)c(C)c1[C@H]1[C@H](NC[C@@H](O)c2ccccc2F)CC(=O)N1C 328633075 SJLIDWICKNBGET-GPMSIDNRSA-N 360.433 1.771 0 50 FDAA Cn1cc(N2CC[C@@H](N3CC[C@](O)(Cc4cccc(Cl)c4)C3)C2=O)cn1 328987231 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FDAA O=C(CCCOc1ccccc1)N1C[C@@H]2COC[C@]2(C(=O)NC2CC2)C1 1857692884 YQJFAZYOQVPXMO-FOIQADDNSA-N 358.438 1.599 0 50 FDAA O=C(O)c1cc2c(s1)CCOC21CCN(C(=O)[C@@H]2CCCCN2)CC1 1857703698 WSJZHIWMYIESLK-ZDUSSCGKSA-N 364.467 1.979 0 50 FDAA CCCS(=O)(=O)NC[C@H]1[C@H]2CN(C3CCSCC3)C[C@]23CC[C@H]1O3 1857720068 CJSZMNDXNKVZDO-YLFCFFPRSA-N 374.572 1.691 0 50 FDAA O=C(NC1CCN(c2cccnn2)CC1)[C@H]1CC(=O)N(c2nccs2)C1 1857723426 FRJZGHXNASJVRV-LBPRGKRZSA-N 372.454 1.071 0 50 FDAA CCC(=O)N1CCC(C2CCN(C(=O)[C@H]3CCn4ncnc4C3)CC2)CC1 1857737530 RJBHZVMCLWFBFU-KRWDZBQOSA-N 373.501 1.728 0 50 FDAA CCn1ncc(C(=O)NC)c1NC(=O)[C@H]1CCCN(c2ccccn2)C1 1875251635 UWAAQSCVCNOEHZ-ZDUSSCGKSA-N 356.430 1.513 0 50 FDAA C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO 4217537 AODPIQQILQLWGS-GXBDJPPSSA-N 366.498 1.653 0 50 FDAA endogenous,in-man C[C@H](c1nc(-c2cccs2)no1)N1CCC[C@](O)(Cn2ccnn2)C1 328968811 UFPLTIDIGQLTDF-MLGOLLRUSA-N 360.443 1.978 0 50 FDAA 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1.967 0 50 FDAA COCC(=O)N1CCCN(C(=O)Nc2ccc3nc(C)c(C)nc3c2)CC1 95524464 TYAJDXNADZELAK-UHFFFAOYSA-N 371.441 1.959 0 50 FDAA CCc1nc(CNC(=O)CCN2CCN(c3cccc(C)c3)CC2)no1 240203770 JTAIBYBTTMANJC-UHFFFAOYSA-N 357.458 1.769 0 50 FDAA CCn1c(CN2CCC(Cc3noc(C)n3)CC2)nnc1[C@H]1C[C@H](N)C1 244633258 FZWGPEYSNNWQKP-SHTZXODSSA-N 359.478 1.649 0 50 FDAA Cc1c([C@@H](C)NC(=O)C2CCN(C(=O)c3ccccn3)CC2)cnn1C 244716025 LGZZCTJUUCZNLG-CYBMUJFWSA-N 355.442 1.853 0 50 FDAA COC(=O)c1cn(CC(=O)N2CCc3ccccc32)cc2c(=O)[nH]nc1-2 263588193 QFVXLNBMYQMBKB-UHFFFAOYSA-N 352.350 1.052 0 50 FDAA COCCn1cncc1CNC(=O)c1cccc(-c2nccnc2OC)c1 299785224 JUCQWOAYQPFNLE-UHFFFAOYSA-N 367.409 1.925 0 50 FDAA COCCNC(=O)c1cccc(NC(=O)N[C@@H](C)c2n[nH]c(C)n2)c1C 299766039 AVRTVADADZGZQC-NSHDSACASA-N 360.418 1.680 0 50 FDAA COc1ncc(CN2CCOC3(CCN(C(=O)CC4CC4)CC3)C2)cn1 824851745 BOWFZXPEUYBKQD-UHFFFAOYSA-N 360.458 1.479 0 50 FDAA COc1cccc(-n2cc(CNC(=O)c3n[nH]c4c3COCC4)cn2)c1 824792659 PPDGYSSJOWFBQD-UHFFFAOYSA-N 353.382 1.607 0 50 FDAA CCc1nc(C)c(CC(=O)N[C@H]2CCCN(C(=O)c3ccco3)C2)c(O)n1 670460186 RVCCAZXYRLQYGU-ZDUSSCGKSA-N 372.425 1.610 0 50 FDAA CCn1ncnc1C[C@H]1COc2ccc(C(=O)N3CCOCC3)cc2N1C 670446502 AVBYFAAXKXIMSB-HNNXBMFYSA-N 371.441 1.210 0 50 FDAA CC(C)(C(=O)NC[C@H]1CCCN1C(=O)c1nc2ccccn2n1)C1CC1 1875388093 MRGBNYRCYIZEDA-CQSZACIVSA-N 355.442 1.886 0 50 FDAA C=CC(=O)N1CCN(C(=O)Cc2nnn(-c3ccc(C)cc3)c2C)[C@@H](C)C1 1875380965 FYNSVDVKZCEWSH-HNNXBMFYSA-N 367.453 1.672 0 50 FDAA Cc1cnccc1S(=O)(=O)N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O 1875399100 OSAKFCDRJNLZGU-MRVWCRGKSA-N 370.862 1.358 0 50 FDAA C=CC(=O)N1CCC2(CCC[C@@H]2CNC(=O)[C@@]2(CC)CCNC2=O)CC1 1875387943 GNUMIOGDIFQANV-QRWLVFNGSA-N 361.486 1.614 0 50 FDAA CCOc1cc(C(=O)N2CC[C@H](N(CC)C(=O)c3cnccn3)C2)on1 1875307818 LVIUPFJFMGJTPF-LBPRGKRZSA-N 359.386 1.240 0 50 FDAA CCc1ccc(N2CCN(C(=O)C[C@@H]3CN(C)C[C@H]3O)CC2)cc1Cl 1875403979 NTDPFFLMDGBFGC-CRAIPNDOSA-N 365.905 1.864 0 50 FDAA Cn1nc(CN2Cc3nc(O)nc(O)c3C2)c(Br)c1Cl 1875299635 QILRHTKAGYNOGB-UHFFFAOYSA-N 360.599 1.553 0 50 FDAA CCc1cn2c(n1)CC[C@H](C(=O)NS(=O)(=O)c1ccc3[nH]ccc3c1)C2 1875293995 KBXWEZUQVIQOTG-ZDUSSCGKSA-N 372.450 1.994 0 50 FDAA O=C(N1CCCC1)C1(C(=O)N2CCC(n3[nH]c(C4CC4)nc3=O)CC2)CC1 1875310278 LGRPEQYGOGTHKO-UHFFFAOYSA-N 373.457 1.015 0 50 FDAA COC(=O)/C=C/C(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 1875379370 RULVAJVEZAKHLC-CFYKVZDHSA-N 360.410 1.281 0 50 FDAA O=C(CN1C[C@H]2CC[C@H]1C2)NCCC1(CNc2ncnn3cccc23)CC1 1875327667 FEVSXAIFVYNCFL-HOTGVXAUSA-N 368.485 1.912 0 50 FDAA CN(C)C/C=C/C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CO1 1875377430 ZZAAOTNHSIATQF-MYSGNRETSA-N 355.479 1.635 0 50 FDAA O=C(N[C@@H]1CCN(C(=O)c2cc(O)nc(C3CC3)n2)C1)c1cccnc1 1875332502 VMPPBZZTMDCQOB-CYBMUJFWSA-N 353.382 1.099 0 50 FDAA CCC(=O)N(C)C[C@@H]1CCCN(C(=O)Cn2c(=O)oc3ccccc32)C1 1875315162 KETAJGJWQZIQOR-AWEZNQCLSA-N 359.426 1.702 0 50 FDAA CC(C)CN1CCN(C(=O)c2ccccc2-c2nc[nH]n2)C[C@H]1CCO 952989152 SWDAHLPCPYOWRG-OAHLLOKOSA-N 357.458 1.637 0 50 FDAA CNC(=O)c1cc(S(=O)(=O)N2CCCN(C(C)C)CC2)ccc1OC 952988532 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1158468 YDLUCODCJLECIE-WDMOLILDSA-N 364.295 1.952 0 50 FDAA O=C(NCCc1c[nH]c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 2854930 PYUHKWKSFRAPNY-UHFFFAOYSA-N 365.389 1.872 0 50 FDAA O[C@H](CNC[C@@H](O)COc1ccc(F)cc1)COc1ccc(F)cc1 3114571 KOUUOIJBCMFWOR-HZPDHXFCSA-N 353.365 1.734 0 50 FDAA O=C(NCCO)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 6727990 PIUNMNBZAMOFHU-MRXNPFEDSA-N 362.451 1.349 0 50 FDAA O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)N1CCN(c2ccccn2)CC1 112143871 NQXTZLBHKPWLQE-GFCCVEGCSA-N 371.363 1.076 0 50 FDAA COc1ccc(C(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)cn1 282449877 SJGUVQVAGZURGE-UHFFFAOYSA-N 353.444 1.120 0 50 FDAA NC(=O)c1cc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)ccc1N1CCOCC1 100835667 HVJWAOVTACMMPZ-OKILXGFUSA-N 355.394 1.078 0 50 FDAA COc1ccccc1-n1cc(C(=O)N2CCC[C@@H](N3CCOCC3)C2)cn1 20205020 MUKYNXHEAGLFBD-QGZVFWFLSA-N 370.453 1.818 0 50 FDAA Cc1ccccc1Cc1nnc(NC(=O)CC[C@H]2NC(=O)NC2=O)s1 55119906 LEJXAGAPGMHTRW-LLVKDONJSA-N 359.411 1.364 0 50 FDAA Cc1ccccc1[C@H](C(=O)N1CCN(c2nccnc2C#N)CC1)N(C)C 65365973 IJGQOLZCVQEVIL-GOSISDBHSA-N 364.453 1.608 0 50 FDAA Cc1ccc(N2CCC[C@@H](Cn3cc(CN4CCSCC4)nn3)C2)nn1 23250980 BTGYPJIXROPBEE-MRXNPFEDSA-N 373.530 1.842 0 50 FDAA O=C(c1coc(COc2cccc(F)c2)n1)N1CCS(=O)(=O)CC1 67881161 ARXHNZPOJSNXAA-UHFFFAOYSA-N 354.359 1.263 0 50 FDAA Cc1cc(C(=O)N2CCC[C@H](c3nn(C)c(=O)n3-c3ccccc3)C2)[nH]n1 67966497 SKHYZDFUOLFMAT-AWEZNQCLSA-N 366.425 1.622 0 50 FDAA Cc1c(C(=O)NCCCN2CCCCC2)cccc1N(C)S(C)(=O)=O 65364226 VTKWLLUGFHHQCJ-UHFFFAOYSA-N 367.515 1.997 0 50 FDAA COc1ccc(C(=O)Nn2c(C)cc(C)cc2=O)cc1N1CCOCC1 67855064 MBOLMPYNPAOCPE-UHFFFAOYSA-N 357.410 1.694 0 50 FDAA COc1ccc(-n2ncc(C(=O)N3CCC[C@H](N)C3)c2C(F)(F)F)nn1 328593031 AMLFKLDJNFVQKF-VIFPVBQESA-N 370.335 1.253 0 50 FDAA CCNc1ncc(CN2CCn3nc(C(=O)N4CCCC4)cc3C2)cn1 65465501 HTAJIKZBJPMVHO-UHFFFAOYSA-N 355.446 1.357 0 50 FDAA CCn1cc(NC(=O)c2c(Br)cnn2CC)c(C(=O)OC)n1 2798850 JQFLVLLTQQOGFA-UHFFFAOYSA-N 370.207 1.921 0 50 FDAA Cn1cc(C[C@@H]2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)C2)cn1 363171523 YXEFETZMDOODIZ-AWEZNQCLSA-N 356.426 1.694 0 50 FDAA O=C(NC1CC1)[C@H]1CCCN1C(=O)NCc1ccnc(-n2ccnc2)c1 363207898 MKJOUYKXARWGRB-OAHLLOKOSA-N 354.414 1.220 0 50 FDAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)N1CCNC(=O)C[C@H]1C 363568680 FFVUGHSMNVQEQH-CQSZACIVSA-N 358.442 1.973 0 50 FDAA Cc1ncc(C(=O)N2CCC(Oc3ccccc3)(C(=O)O)CC2)c(=O)[nH]1 72426463 VGAMKINQLZGAGZ-UHFFFAOYSA-N 357.366 1.217 0 50 FDAA COc1cccc(OC[C@@H](O)CNC(=O)c2nn(C)c(C)c2Cl)c1 216424698 LIOCGVYJCSEOJE-NSHDSACASA-N 353.806 1.560 0 50 FDAA COc1ccnc(CN2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)c1OC 284507591 BXGMBZGKEIEQGT-CQSZACIVSA-N 359.430 1.848 0 50 FDAA Cc1c[nH]c(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(CC(C)(C)C)C(=O)[C@H]24)O3)n1 77321689 VJFWFWNZWUDQPC-PEMDQYIBSA-N 372.469 1.505 0 50 FDAA O=C1CC[C@H]2CN(c3nccc(C(F)(F)F)n3)CC[C@H]2N1CCCO 72453741 GYRPGNDHLFEBBZ-NWDGAFQWSA-N 358.364 1.695 0 50 FDAA CN(C)S(=O)(=O)CCC(=O)N1CC[C@@H](n2cc3ccccc3n2)C1 371583673 ZXHONFGIPDHDHL-CQSZACIVSA-N 350.444 1.091 0 50 FDAA C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)NC2CCN(c3nccs3)CC2)CC1=O 369754483 KDCVXNZUXZRGOT-XBFCOCLRSA-N 363.487 1.420 0 50 FDAA C[C@H](N)CC(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 261860250 RGQDBLDHWVVSQD-NWDGAFQWSA-N 359.426 1.565 0 50 FDAA O=C(CNC[C@@H]1CCCO1)N(Cc1ccsc1)[C@@H]1CC12CCNCC2 261827826 ABBBTOINPAGSGP-DLBZAZTESA-N 363.527 1.987 0 50 FDAA Nc1nc2c(c(=O)[nH]1)CCN(C(=O)CSC13CC4CC(CC(C4)C1)C3)C2 71730536 DTQWFVLJJZWQMQ-UHFFFAOYSA-N 374.510 1.939 0 50 FDAA C[C@@H](Cc1ccc2c(c1)OCO2)c1nccn1CCS(=O)(=O)N(C)C 72410900 ATWZARMOQHJIRW-ZDUSSCGKSA-N 365.455 1.849 0 50 FDAA COc1ccccc1C(=O)N1CCN(C(=O)[C@@H](O)CCSC)CC1 72436709 RIHGFXBSALSCHE-AWEZNQCLSA-N 352.456 1.094 0 50 FDAA Cc1nccnc1N1CCC(c2nnc(CN3CCOCC3)n2C)CC1 77471530 FIOKFEQPURYWTO-UHFFFAOYSA-N 357.462 1.130 0 50 FDAA Cc1cc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(CC(C)(C)C)C(=O)[C@@H]24)O3)no1 77565461 ZUMSMYHCCQIXGY-MFCZKXCZSA-N 373.453 1.770 0 50 FDAA O=C(O)C1CCN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)CC1 262930895 SQLKJHNLLLPUOZ-UHFFFAOYSA-N 353.318 1.912 0 50 FDAA Cc1nc(C[C@@H]2CCCN(C(=O)c3cn(C)nc3[C@H]3CCCNC3)C2)no1 333462604 GTPZOIJDDXDYNZ-GJZGRUSLSA-N 372.473 1.673 0 50 FDAA Cc1nccnc1N1CCC[C@@H](c2nnc(CN3CCC(O)CC3)n2C)C1 72407971 PFVMDUGLVMFHTF-OAHLLOKOSA-N 371.489 1.254 0 50 FDAA CCN(CCO)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1 72153450 SRDZWGYMYSFPTC-OAHLLOKOSA-N 371.840 1.010 0 50 FDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 237977989 HXUWEZUQOAIEGG-XRGAULLZSA-N 360.410 1.872 0 50 FDAA Cc1ccc(C(=O)NCC(=O)N2CCN(C3CCOCC3)CC2)cc1C 174987945 NHOZWVPLKXIQNU-UHFFFAOYSA-N 359.470 1.356 0 50 FDAA Cc1ccc2c(c1)c(CNC(=O)c1ccc(S(N)(=O)=O)cc1)nn2C 216299080 JEPNEHLROHUPSI-UHFFFAOYSA-N 358.423 1.459 0 50 FDAA NC(=O)NCC(=O)N1CC[C@]2(CCCN(CCCc3ccccc3)C2=O)C1 72143530 LLPQDIYYDJNFPG-HXUWFJFHSA-N 372.469 1.129 0 50 FDAA CCC(CC)N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCSCC2)[C@H]3C1=O 77472127 AHYJXYYUOWHKMF-KRXQYRFLSA-N 350.484 1.532 0 50 FDAA CN(C)C(=O)N1CCn2nc(CNC(=O)Nc3cccc(F)c3)cc2C1 82157060 MLPDFSBCZTYNLE-UHFFFAOYSA-N 360.393 1.841 0 50 FDAA Cc1cccnc1CN1CCN(C(=O)NC[C@H]2CC(=O)N(C(C)C)C2)CC1 426513741 RPEIIFKRERIJEP-QGZVFWFLSA-N 373.501 1.474 0 50 FDAA NC(=O)Cn1ccnc1C1CCN(C(=O)c2onc3c2CCCC3)CC1 426361200 ONOJCHRJZFYESZ-UHFFFAOYSA-N 357.414 1.255 0 50 FDAA CN(C)S(=O)(=O)CCC(=O)N[C@@H]1c2ccccc2CC12CCOCC2 292176309 XQOONPUTOPNIJD-QGZVFWFLSA-N 366.483 1.478 0 50 FDAA CCCn1ccnc1CN1CCn2nc(CNc3cnccn3)cc2C1 426555418 GHKOHFWUDVNOPJ-UHFFFAOYSA-N 352.446 1.908 0 50 FDAA Cc1nnnn1[C@H](C(=O)N1CCC(c2nc[nH]n2)CC1)c1ccccc1 426683959 SVTVMUAWMUIRQL-HNNXBMFYSA-N 352.402 1.095 0 50 FDAA Cc1cc(C(F)(F)F)n2ncc(C(=O)N[C@H](C)c3nc(N)n[nH]3)c2n1 426514606 FEDAZIFPEMJCFZ-ZCFIWIBFSA-N 354.296 1.248 0 50 FDAA O=C(NC1(C(=O)O)CCOCC1)N(Cc1ccccn1)C[C@@H]1CCCO1 426358669 SVSPHXSUCQSMJE-HNNXBMFYSA-N 363.414 1.406 0 50 FDAA CCCN1CCC[C@@]2(CCN(C(=O)CSc3nncn3C)C2)C1=O 91931130 OCHPANRMGTVWDI-INIZCTEOSA-N 351.476 1.158 0 50 FDAA CC(C)Cc1nc2ccccc2n1[C@H](C)C(=O)N1CC2(CNC(=O)N2)C1 426599845 ZOIAJXCJDDROSG-CYBMUJFWSA-N 355.442 1.690 0 50 FDAA O=C(CN1C(=O)CCc2ccccc21)N1CCCN(C(=O)C2CCC2)CC1 95503079 RLSAFOKCZLWOLV-UHFFFAOYSA-N 369.465 1.827 0 50 FDAA CCn1c(Cn2ccnc2C)nnc1C1CCN(C(=O)CSC)CC1 91951629 WIUZLFITBJPTGW-UHFFFAOYSA-N 362.503 1.920 0 50 FDAA CCN1CCC(CC(=O)N2CCN(c3ccccc3)[C@@H](C(=O)O)C2)CC1 95524224 NBZDUDINGQJDDU-GOSISDBHSA-N 359.470 1.910 0 50 FDAA Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2c(C)noc2C)C3=O)n(C)n1 95503305 ITTWVRNNWZUPAQ-LSDHHAIUSA-N 371.441 1.597 0 50 FDAA CC(C)[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)CCc1cccc(F)c1 91690715 ICBHLYXIHCKRKF-CVEARBPZSA-N 356.463 1.791 0 50 FDAA Cc1nn(CC(=O)N2CCc3nc(N)sc3C2)c(=O)c2ccccc12 91586041 RXOGEQHHYYFOGD-UHFFFAOYSA-N 355.423 1.329 0 50 FDAA Cc1nonc1CN1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 91966124 ZCEGBVYOOQHURZ-UHFFFAOYSA-N 358.446 1.548 0 50 FDAA CN1CC[C@H](N2CC3(CCC2=O)CCN(Cc2cccnc2N)CC3)C1 91679738 ITJORYQCOXPQJV-KRWDZBQOSA-N 357.502 1.573 0 50 FDAA CN1CCC[C@@H](CCC(=O)NCCS(=O)(=O)c2ccc(F)cc2)C1 97805623 KVDHZGPYIGDYQY-AWEZNQCLSA-N 356.463 1.838 0 50 FDAA Cc1n[nH]c([C@@H]2CCCN2C(=O)Nc2cc(-n3cnnn3)ccc2F)n1 97743572 MPVQOXDYGKKTMU-ZDUSSCGKSA-N 357.353 1.597 0 50 FDAA CCn1c(C)cc(C(=O)N2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)c1C 95375055 CTWWXYIXZNWZQU-HNNXBMFYSA-N 361.442 1.663 0 50 FDAA CN1CCC(O)(C(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)CC1 97679705 AMYVXMSUQZSHKK-UHFFFAOYSA-N 355.841 1.584 0 50 FDAA Cc1noc([C@@H]2CCCCN2C(=O)Cn2c(=O)cnc3ccccc32)n1 95499642 CIOPYCOMFZQXTG-HNNXBMFYSA-N 353.382 1.842 0 50 FDAA O=C([C@H]1CC[C@H](Cn2cnnn2)CC1)N1CCN(c2ccccn2)CC1 245264645 DQRABVSJVLOARW-WKILWMFISA-N 355.446 1.223 0 50 FDAA COc1ccc(-n2ccc(C(=O)N(CC(=O)O)C3CCOCC3)n2)cc1 299750474 NNJDARNBEBGNBP-UHFFFAOYSA-N 359.382 1.587 0 50 FDAA O=C(COC[C@H]1CCCCO1)NC1CCN(C(=O)C2CCCC2)CC1 534675314 VXICOPCMWAUNKV-QGZVFWFLSA-N 352.475 1.870 0 50 FDAA Cc1c(-c2ccc(C(=O)N3CCC[C@@](O)(CN(C)C)C3)cc2)cnn1C 534635311 WGVILKDTMKVIRF-HXUWFJFHSA-N 356.470 1.924 0 50 FDAA CCc1nc(CCNC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)no1 299772303 XTZOHESZZGVKMC-UHFFFAOYSA-N 373.822 1.297 0 50 FDAA CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCCCc1nc2ccccc2n1C 299797297 NEKCVDOOUYFOPB-INIZCTEOSA-N 368.441 1.093 0 50 FDAA COCC(=O)Nc1ccc(C)c(NC(=O)NCC(=O)NC(C)(C)C)c1 299762137 WCOZQLCNADQHLX-UHFFFAOYSA-N 350.419 1.616 0 50 FDAA COc1ccc(C(=O)N2CCC(C(=O)NCc3ccno3)CC2)cc1OC 299757559 GXVGLUSUBFXQFE-UHFFFAOYSA-N 373.409 1.860 0 50 FDAA COc1ccc(S(=O)(=O)N2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)cc1C 299768553 PBKGNNFNAKGUPT-XOKHGSTOSA-N 355.456 1.697 0 50 FDAA O=C(Cc1ccccn1)NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2 299786733 PZNSQRPAGGLDAK-UHFFFAOYSA-N 353.426 1.279 0 50 FDAA CS(=O)(=O)c1ccc(-c2cccc(C(=O)N[C@@H]3CNCC[C@H]3O)c2)cc1 299784041 YLHDUTYWVZXBCV-QZTJIDSGSA-N 374.462 1.210 0 50 FDAA O=C(N[C@@H]1CCCN(C(=O)c2ccco2)C1)c1ccc(-n2cnnc2)cc1 828161263 VWMCCPGGTIGAPS-OAHLLOKOSA-N 365.393 1.895 0 50 FDAA CO[C@@H]1C[C@H](CNC(=O)c2ccc3n[nH]cc3c2)N(c2ccncn2)C1 952887048 JOBUKWIOYJTRDX-HUUCEWRRSA-N 352.398 1.377 0 50 FDAA CCC1(N2CCOCC2)CCN(C(=O)N[C@@H]2C[C@H]2C2CCNCC2)CC1 952852294 ITTPAWQASAVONN-ZWKOTPCHSA-N 364.534 1.661 0 50 FDAA Cc1n[nH]cc1CNC(=O)C(=O)N1CCC[C@@H]1CCN1CCC(C)CC1 1875269833 RMOARNXFUQKKFP-QGZVFWFLSA-N 361.490 1.447 0 50 FDAA COc1nn(C)cc1C(=O)N1C[C@H](c2ccc(F)cc2)CS1(=O)=O 1875285436 NIKOICCSMCUTDS-NSHDSACASA-N 353.375 1.137 0 50 FDAA CC(C)c1ccccc1CC(=O)NCCn1cc([C@@]2(O)CCOC2)nn1 1875353837 HQILMJDHNFMZCT-LJQANCHMSA-N 358.442 1.368 0 50 FDAA CCN(CC1(O)CCC1)C(=O)Nc1ccc2c(=O)n(C)c(=O)n(C)c2c1 1875313388 MFAZSHVRWULOJP-UHFFFAOYSA-N 360.414 1.006 0 50 FDAA COC[C@]1(c2noc(CN(C)c3ncnc4[nH]cnc34)n2)CCCCO1 1875344901 QDGMQYDFRSMBLN-INIZCTEOSA-N 359.390 1.415 0 50 FDAA Cn1cc(NC(=O)N(Cc2ccccc2)C[C@]2(O)CN3CCC2CC3)cn1 1875339940 DEVYEIUGXVKTKV-HXUWFJFHSA-N 369.469 1.911 0 50 FDAA NC(=O)[C@H]1C[C@@H]2[C@@H](NC(=O)c3cc(C(F)(F)F)nn3C3CC3)C[C@H]2C1 1875319216 TXSRYCLFNYAXGP-HZQMYPQZSA-N 356.348 1.867 0 50 FDAA Cn1ccc2cccc(S(=O)(=O)N[C@@H]3C[C@H](Cn4cccn4)C[C@H]3O)c21 1875399263 UJIZZMOGHHAULK-NUEKZKHPSA-N 374.466 1.493 0 50 FDAA COc1ccc(-c2cc(=NC(=O)[C@@]3(C)CCn4c(C)nnc43)[nH][nH]2)cc1 1875313475 RQNZJXOVTCZGEN-SFHVURJKSA-N 352.398 1.707 0 50 FDAA O=C1CCc2c(cccc2C(=O)N[C@@H]2C[C@@H](Cn3ccnc3)C[C@H]2O)N1 1875402185 BDLFLWVYBAKXEV-CSMYWGQOSA-N 354.410 1.337 0 50 FDAA O=C(CCn1cnc2ccccc21)NCCn1ncc2ccccc2c1=O 952982615 ZORHLSSLHDAQPV-UHFFFAOYSA-N 361.405 1.953 0 50 FDAA C=CC(=O)Nc1cccc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)c1 865730791 ZLQHEAVTAZLJEL-LBPRGKRZSA-N 355.316 1.704 0 50 FDAA NS(=O)(=O)C[C@H]1CCN(C(=O)c2cccc([C@H]3CCCOC3)c2)C1 885298170 SSIAWEJIPSPJIW-BBRMVZONSA-N 352.456 1.331 0 50 FDAA CC(=O)NCc1cc(O[C@@H]2CCN(c3ncnc4n[nH]cc34)C2)ccn1 886041057 KKODDQGOGBBBHL-CQSZACIVSA-N 353.386 1.042 0 50 FDAA COc1cc(F)ccc1N1CCN(S(=O)(=O)C[C@@H]2CCOC2)CC1 172024028 DDBYINRUYYTPFP-CYBMUJFWSA-N 358.435 1.323 0 50 FDAA CCc1noc([C@H](C)N2CCN(C(=O)NCCn3cc(C)cn3)CC2)n1 172291914 CXRQWXXDZVPMGJ-AWEZNQCLSA-N 361.450 1.225 0 50 FDAA O=C(O)C[C@@H]1CN(C(=O)c2cnc3c(c2)CCCC3)C[C@@H]1c1cnn[nH]1 1076080081 DWZYHPXLGYITGP-KGLIPLIRSA-N 355.398 1.409 0 50 FDAA Nc1ncc(Cl)cc1S(=O)(=O)N1C[C@H](CO)[C@H](c2ccsc2)C1 188873294 BGKHNSMMRWALCV-PWSUYJOCSA-N 373.887 1.775 0 50 FDAA Cn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)Cc2cccc3cccnc23)cn1 189193046 MBOLNWGUALTCEA-FUHWJXTLSA-N 372.450 1.918 0 50 FDAA O=C(Cn1cnnn1)N1CCCN(Cc2cc3ccccc3s2)CC1 1529145429 JCOVWJOAIFNNQP-UHFFFAOYSA-N 356.455 1.622 0 50 FDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3cccnc3O)C1)CC2 1704339071 CLMJTUYDCYAFQR-LJQANCHMSA-N 353.426 1.763 0 50 FDAA COc1cc(-c2onc(N(C)C)c2C(=O)N2CCNC[C@H]2C)ccc1F 1704327778 JHECMONTIIFTET-LLVKDONJSA-N 362.405 1.989 0 50 FDAA Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2c(C)noc2C)no1 219698870 GRDATNDCBLGNMS-KGLIPLIRSA-N 358.398 1.851 0 50 FDAA COc1ccc(F)cc1CN1C[C@@H]2CC[C@H]1CN(S(=O)(=O)N(C)C)C2 219895795 HWTHIWNGNJMEPY-BBRMVZONSA-N 371.478 1.537 0 50 FDAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@H]1Cc2nnc(C)n2C1 1772712197 JNCMMHGRVJFHTQ-MRXNPFEDSA-N 364.453 1.920 0 50 FDAA Cn1c(=O)[nH]c(=O)c2c1nc(SCCO)n2Cc1ccc(Cl)cc1 13590323 SEVZXOSCIZUPPR-UHFFFAOYSA-N 366.830 1.209 0 50 FDAA COC1(C(=O)NCc2cccnc2)CCN(C(=O)[C@H]2C[C@@H]3CC[C@H]2O3)CC1 1857696765 BPFOITIPCISIDT-YESZJQIVSA-N 373.453 1.273 0 50 FDAA CC[C@@]12COC(=O)N1CCN(c1nc3cc(OC)c(OC)cc3c(=N)[nH]1)C2 1857697111 VUUXZCMQCLDYIS-GOSISDBHSA-N 373.413 1.481 0 50 FDAA O=C([C@@H]1CCc2ncnn2C1)N1CCCN(Cc2cccc(F)c2)CC1 1857721881 KGPFXJFZRCMBFP-MRXNPFEDSA-N 357.433 1.714 0 50 FDAA Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCCC[C@@H]1c1ccnn1C 366828284 YBTURDDEFXQBSN-CYBMUJFWSA-N 352.416 1.336 0 50 FDAA O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCC(O)(C(=O)O)CC1 262482940 KRHXABWUSHBLJD-NSHDSACASA-N 366.801 1.131 0 50 FDAA CCOC(=O)c1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1 1071666 FDQFPNOVBQINFZ-UHFFFAOYSA-N 367.365 1.857 0 50 FDAA COc1ccc(Cn2nc(C)cc2NC(=O)[C@H]2CN(C)CCO2)cc1OC 2100477643 DZEWYWOUKWPGSL-QGZVFWFLSA-N 374.441 1.526 0 50 FDAA O[C@@H]1CCCN(c2ccnc(N3CC4(COc5ccccc5C4)C3)n2)C1 2100557409 RKRCFMODLWPMMK-MRXNPFEDSA-N 352.438 1.879 0 50 FDAA O=C(c1cccn2nccc12)N1CCC(n2[nH]c(C3CC3)nc2=O)CC1 2325791205 AURXZOVCVKRVHJ-UHFFFAOYSA-N 352.398 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CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3ccccc3)s2)C1 267227129 PFDUKJUWFLIFCB-GFCCVEGCSA-N 352.485 1.971 0 50 FDAA O[C@@]1(Cc2nc(C3CC3)no2)CCCN(Cc2cn(CC3CC3)nn2)C1 818251051 CRARTKLANBATDD-GOSISDBHSA-N 358.446 1.518 0 50 FDAA Cc1ccc(CN(CCO)C(=O)C(=O)NC2CC3(CO[C@@H](C)C3)C2)cc1 933530289 VYXNUQPFNKLBQK-FVWXCPNNSA-N 360.454 1.390 0 50 FDAA COc1ccc(CCn2ccc3c(cnc4ncnn43)c2=O)cc1OC 9290465 DSFBCQAUWZZEGY-UHFFFAOYSA-N 351.366 1.699 0 50 FDAA COc1ccc(C)cc1N(CC(=O)NC[C@H]1CCCO1)S(C)(=O)=O 879934 ULFJZRGFPVNLQN-CYBMUJFWSA-N 356.444 1.065 0 50 FDAA COC[C@@]12COC[C@@H]1CN(S(=O)(=O)c1ccc3c(c1)OCCCO3)C2 2356149125 LAFAZXPZANDYNK-GUYCJALGSA-N 369.439 1.131 0 50 FDAA CC(=O)c1c(C)nn(CCC(=O)Nc2c(C)nn(-c3nn[nH]n3)c2C)c1C 2356151114 SGCFJORHIXGKBS-UHFFFAOYSA-N 371.405 1.047 0 50 FDAA CC(=O)c1[nH]c(C)c(C(=O)N2CC[C@](O)(c3ccccc3)[C@@H](O)C2)c1C 2356156146 SVQFYAWOBDRPPA-JXFKEZNVSA-N 356.422 1.929 0 50 FDAA COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC)[C@H]1c1ccc(OC)cc1 3903503 KWCBKJHLPZHEKH-BORJPKMPSA-N 350.367 1.081 0 50 FDAA O=C(CSc1nnnn1-c1cccc(C(F)(F)F)c1)N1CCOCC1 10382208 ASJUKMAOWAAHCE-UHFFFAOYSA-N 373.360 1.632 0 50 FDAA CC(C)=C[C@@H]1[C@H](C(=O)NCCS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1(C)C 248200354 VGCRVPWIKCHWQF-KLHDSHLOSA-N 372.531 1.780 0 50 FDAA Cc1oc(-c2ccsc2)nc1CN(CCO)[C@H]1CCS(=O)(=O)C1 23159358 MTRLFSLBKZOMIS-ZDUSSCGKSA-N 356.469 1.693 0 50 FDAA CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1ccccc1C(=O)c1ccc(C)cc1 67868172 LSPUKJHUROSXBY-QAPCUYQASA-N 365.433 1.514 0 50 FDAA COC(=O)c1cc2n(n1)CCN(C(=O)c1cc3c(nc1OC)CCC3)C2 65464329 MLRIYQSITWHYSN-UHFFFAOYSA-N 356.382 1.218 0 50 FDAA Cc1nc(CNC(=O)N2CCN(c3ncccc3C(N)=O)CC2)sc1C 173643607 REZOJGBKOHIZLJ-UHFFFAOYSA-N 374.470 1.286 0 50 FDAA Cc1ccc(CN2CCN(C(=O)c3cc4n(n3)CCN(C)C4)CC2=O)cc1 65528096 QKFKTIXKKIQOLB-UHFFFAOYSA-N 367.453 1.122 0 50 FDAA CNC(=O)Cn1cc(NC(=O)c2cccc(CN3CC=CCC3)c2)cn1 67921827 XZBIKKMYKRBJEB-UHFFFAOYSA-N 353.426 1.643 0 50 FDAA CS(=O)(=O)N1CCN(c2ccccc2NC(=O)Cc2ccccc2)CC1 680145 SYEXKBHYZAGRCZ-UHFFFAOYSA-N 373.478 1.949 0 50 FDAA Cc1nc2ccccc2c(=O)n1CC(=O)N1CCC[C@H](c2ccn[nH]2)C1 253392622 BEKUGRRXKWFRGC-AWEZNQCLSA-N 351.410 1.834 0 50 FDAA Cc1cc(C)c(S(=O)(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)cc1C(=O)O 283833552 FHCRFUQGHMKNDE-LSDHHAIUSA-N 368.455 1.095 0 50 FDAA CCOC(=O)CSc1nc(NS(=O)(=O)c2cccc(C)c2)n[nH]1 3997664 VYGFKTAHARTCFR-UHFFFAOYSA-N 356.429 1.569 0 50 FDAA Cc1ccc(CN2CCN(C(=O)CCCN3CCCC3=O)CC2=O)cc1 77374965 SPORTVGGJIERLB-UHFFFAOYSA-N 357.454 1.568 0 50 FDAA CS(=O)(=O)N(Cc1noc2c1CCCC2)C[C@H]1CCc2nccn2C1 328629561 OZCMHLZLQBPMAT-ZDUSSCGKSA-N 364.471 1.774 0 50 FDAA CC(C)n1cc(C[C@H]2N=C(O)N(Cc3noc(C(C)(C)C)n3)C2=O)nn1 328608436 AISOCFDTCUTIMR-LLVKDONJSA-N 361.406 1.407 0 50 FDAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)CCc1cc2n(n1)CCCNC2 72476635 TWCQZZYCLIBBCA-UHFFFAOYSA-N 370.501 1.960 0 50 FDAA O=C([C@H]1CCOC1)N1CCc2cccc(S(=O)(=O)N3CCCC3)c2C1 77343534 TWAUWOBVFKSXAZ-HNNXBMFYSA-N 364.467 1.392 0 50 FDAA CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2n[nH]c3ccc(Cl)cc23)O1 331627250 HRDMMZNCJYXPDU-ZWNOBZJWSA-N 350.806 1.582 0 50 FDAA CC(C)(C)NC(=O)c1cccc(NC(=O)N2CCN3CCOC[C@H]3C2)c1 363867870 QOFDSQYQEJSLAY-MRXNPFEDSA-N 360.458 1.763 0 50 FDAA O=C(C[C@H]1COCCN1)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1 216406080 ODYXGYGUVQILRY-AWEZNQCLSA-N 360.845 1.993 0 50 FDAA O=C(c1cnc2nc(O)nc(O)c2c1)N1CC[C@H](Oc2ccccn2)C1 366290128 KPNFVVFILSAPQF-NSHDSACASA-N 353.338 1.125 0 50 FDAA CC(C)CCN1C[C@@]2(CCCN(C(=O)CCn3cnnc3)C2)CCC1=O 77379623 RBGLLBWIGRSRIE-IBGZPJMESA-N 361.490 1.946 0 50 FDAA CNC(=O)Cc1noc(CN2CCC[C@@H]2c2nc3ccccc3n2C)n1 370256497 ODDCDWCQUHPWPQ-CQSZACIVSA-N 354.414 1.582 0 50 FDAA COc1ccc(CC[C@@H]2CCCN(C(=O)CNS(C)(=O)=O)C2)cc1 71764021 HZUHLVJBCYIIPE-HNNXBMFYSA-N 354.472 1.416 0 50 FDAA CN1C[C@@H](NC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)CC1=O 332909285 POGYZWGIKGXBNK-KBPBESRZSA-N 354.414 1.549 0 50 FDAA C[C@](O)(CN1CCC[C@H](S(=O)(=O)NC2CCCC2)C1)C(F)(F)F 374161771 KQYONHNMJMZUPT-STQMWFEESA-N 358.426 1.626 0 50 FDAA CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(Cc3cc(=O)[nH]c(=O)[nH]3)C2)c1 71762719 DJIBTAOVKQFTDT-OAHLLOKOSA-N 371.437 1.945 0 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CN(C)[C@H]1CCN(CC(=O)NCc2c[nH]nc2-c2ccc(Cl)cc2)C1 220267181 IETAPSBSFNOHSO-INIZCTEOSA-N 361.877 1.982 0 50 FDAA NS(=O)(=O)C[C@H]1CCN(C(=O)c2ccc3cccc(Cl)c3n2)C1 426685209 ATWUXBSLCVVURO-JTQLQIEISA-N 353.831 1.639 0 50 FDAA NCCOc1cccc(CC(=O)N2CCN(C3CCSCC3)CC2)c1 426509372 MJLCYYWVTJNRRB-UHFFFAOYSA-N 363.527 1.606 0 50 FDAA COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1nccn1C(C)C 222968453 ZZBJEWQJDNSDHP-UHFFFAOYSA-N 352.416 1.050 0 50 FDAA O=C1C[C@H](C(=O)NCc2nc(C(F)(F)F)n[nH]2)c2ccc(F)cc2N1 426495858 SUNWDIXNTYPGIQ-QMMMGPOBSA-N 357.267 1.705 0 50 FDAA C[C@H](C(=O)NCCCn1ccccc1=O)n1cnc2ccccc2c1=O 426530897 PTKUCGVTQBOLCP-CQSZACIVSA-N 352.394 1.326 0 50 FDAA Cc1nn(C)c(N2CCOCC2)c1CN(C)C[C@H]1COc2ccccc2O1 179635937 CGRVWPMNUDNJNF-INIZCTEOSA-N 372.469 1.837 0 50 FDAA CN(C)C(=O)c1cncc(N[C@@H]2COCC[C@@H]2OCc2cscn2)n1 223341059 SYXVRVNJSSYGIZ-KGLIPLIRSA-N 363.443 1.421 0 50 FDAA COc1ccccc1O[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2C)C1 292338084 OUSATWXBAZSTRN-AWEZNQCLSA-N 365.455 1.969 0 50 FDAA Cc1nc(C)c(C)c(NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)n1 82146359 ZNNVISQRZBZWSL-UHFFFAOYSA-N 364.475 1.376 0 50 FDAA O=C(CN1CCOc2ccccc2C1)N[C@@H]1CC(=O)N(c2ccccc2)C1 82096964 HRFKYHZBWQOIEK-QGZVFWFLSA-N 365.433 1.803 0 50 FDAA C[C@H]1CN(C(=O)CN2C[C@@H](C(=O)O)[C@H](c3ccc(F)cc3)C2)C[C@@H](C)O1 91680009 VNAQDGLURTZKSH-UWWPHRKUSA-N 364.417 1.562 0 50 FDAA O=C(c1sccc1S(=O)(=O)N1CCCC1)N1CCc2[nH]cnc2C1 96180934 AFEFCFJNGQFQLG-UHFFFAOYSA-N 366.468 1.454 0 50 FDAA Cn1ccnc1C1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1 91942977 OQDIEHFXGSWZQY-UHFFFAOYSA-N 351.410 1.536 0 50 FDAA CC(=O)N[C@H]1CN(S(=O)(=O)N(C)Cc2ccccc2)C[C@@H]1C1CC1 91574649 VWFWCPSQQVDCSB-SJORKVTESA-N 351.472 1.210 0 50 FDAA COCCN1CCC[C@]2(CCN(CC(=O)NCc3ccccc3C)C2)C1=O 91656988 BUUSVNAOGZYHMU-OAQYLSRUSA-N 373.497 1.572 0 50 FDAA COc1cc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)c(OC)cc1Cl 239338835 LHMHDOPIYYXELT-DMTCVQMQSA-N 353.758 1.950 0 50 FDAA O=C(O)CCN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 238163061 ZXIGAOOBICTWSA-UHFFFAOYSA-N 350.799 1.260 0 50 FDAA COCCCCN1CCN(C(=O)c2c[nH]c3c(F)cccc3c2=O)CC1 97823340 QKAQBOFUKUSSKW-UHFFFAOYSA-N 361.417 1.852 0 50 FDAA CN1CCC[C@]2(CCN(C(=O)Cn3ccc(=O)c4ccccc43)C2)C1=O 91526161 VTXFYNOOTOCBFH-HXUWFJFHSA-N 353.422 1.472 0 50 FDAA CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc3nccnc3c1)C2 95377039 UYYCJDHEGUHBCZ-GXTWGEPZSA-N 360.439 1.126 0 50 FDAA O=C1CN(Cc2nc(Cc3cccs3)nn2-c2cccc(F)c2)CCN1 96165123 ZHHPPAXSWXNZLR-UHFFFAOYSA-N 371.441 1.991 0 50 FDAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)Cc2cc(C)ccc2C)C1 244811728 SKCATRITOBDGFU-CALCHBBNSA-N 372.469 1.639 0 50 FDAA COc1ccc(CCNC(=O)CN2CCC[C@H]2C(=O)N2CCCCC2)cc1 252503918 VHGNIKKKDFBNBW-IBGZPJMESA-N 373.497 1.831 0 50 FDAA O=C(O)[C@H]1CCN(C(=O)[C@H]2CCCN(c3ncnc4sccc34)C2)C1 299742506 JRXOAKLFNXFUIR-RYUDHWBXSA-N 360.439 1.841 0 50 FDAA CC1(C)NC(=O)N(CCCC(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)C1=O 299741698 AFWDUOHVBVGYCZ-AGIUHOORSA-N 365.430 1.341 0 50 FDAA CCOc1ccccc1NC(=O)N[C@@H]1COC[C@H]1CS(=O)(=O)N(C)C 1940198098 NDTBHKRZUCWYCM-GXTWGEPZSA-N 371.459 1.113 0 50 FDAA COCCN1C[C@@H](CN2CCN(C(=O)c3cccs3)CC2)CC1=O 299766564 FOPVCAQFZVWYNF-CQSZACIVSA-N 351.472 1.001 0 50 FDAA CCO[C@H]1COC[C@@H]1NC(=O)Nc1ccc2c(c1)C(=O)N(C1CC1)C2=O 299776537 LYYCMJJKPHXPFR-GJZGRUSLSA-N 359.382 1.370 0 50 FDAA CSc1ncc(C(=O)N2CCC(N3CCC[C@@H](CO)C3)CC2)c(O)n1 299794569 KRLDYJYZUKANQW-GFCCVEGCSA-N 366.487 1.213 0 50 FDAA CCCn1cc(S(=O)(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cn1 823033380 URGUJORSYMXPNY-ZDUSSCGKSA-N 360.443 1.913 0 50 FDAA CCS(=O)(=O)N1CCC(N=c2[nH]c(-c3cscn3)cs2)CC1 1875280410 FFLOMMOJKXMVAC-UHFFFAOYSA-N 358.514 1.915 0 50 FDAA CCc1nc(C(=O)NS(C)(=O)=O)nn1-c1c(Cl)cccc1Cl 1875391219 PRFLKCTYSAIYEY-UHFFFAOYSA-N 363.226 1.826 0 50 FDAA Cc1ccc(-n2nnnc2N(C)C[C@H](C)NC(=O)c2cc(C)[nH]n2)cc1 1875333903 PESMGCLIZGUXEG-ZDUSSCGKSA-N 354.418 1.257 0 50 FDAA O=S(=O)(c1cnc(C2CC2)o1)N1CCO[C@H](c2nc(C3CC3)no2)C1 1875346679 LIPDPTSBEKZMOH-NSHDSACASA-N 366.399 1.575 0 50 FDAA COC(=O)c1ccnc(CNC(=O)C[S@](=O)c2ccc(Cl)cc2)c1 1875405868 QLGJQLIISAEVBO-DEOSSOPVSA-N 366.826 1.946 0 50 FDAA O=C(NC[C@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1)C1CCOCC1 952978827 FPWCPAJPCHBTRS-CQSZACIVSA-N 370.453 1.958 0 50 FDAA CN(C[C@@H](O)c1ccc(O)cc1)C(=O)Cc1nn(C)c(=O)c2ccccc12 888104944 RLIRCNPLUBCUIP-GOSISDBHSA-N 367.405 1.374 0 50 FDAA CN1C(=O)CC[C@H](C(=O)Nc2nnc3ccccn23)[C@H]1c1nccn1C 886088426 UXIMVBXIHDWGKK-FZMZJTMJSA-N 353.386 1.011 0 50 FDAA CS(=O)(=O)N1C[C@@H]2CN(CCSc3ccccc3)C[C@]2(C(=O)O)C1 1565511001 YGTPMHMTXAEFEG-BBRMVZONSA-N 370.496 1.057 0 50 FDAA Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC(=O)c1cn2cccnc2n1 1565515679 QCJSXXXWEZXGGM-HOCLYGCPSA-N 371.397 1.438 0 50 FDAA Cc1nccn1CCC(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1ccncc1)C2 1565526671 HDQPYGGTNDPCAY-AEFFLSMTSA-N 367.453 1.740 0 50 FDAA O=C(c1cccc(-c2cc[nH]n2)c1)N1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076046561 USQLISDZHSXTIN-SJORKVTESA-N 350.382 1.654 0 50 FDAA Cc1ccc(CS(=O)(=O)N2CCc3nn(C)c(=O)cc3C2)c(F)c1 192743888 XDMCMGBBHSAJOR-UHFFFAOYSA-N 351.403 1.116 0 50 FDAA CN(CC(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1)Cc1ccncc1 1529151201 HXKARODCYKGULR-UYAOXDASSA-N 355.438 1.474 0 50 FDAA O=C(c1cnccn1)N1CCCN(C(=O)[C@H](O)c2ccc(F)cc2)CC1 1529196887 JDNJZGROCOPFRL-MRXNPFEDSA-N 358.373 1.024 0 50 FDAA O=C1C[C@@H](C(=O)N2CCCN(Cc3nc4ccccc4s3)CC2)CN1 1772700869 FMZLITUNOFUPDD-CYBMUJFWSA-N 358.467 1.467 0 50 FDAA O=C(CCc1cccc(F)c1)N1CCCN(C[C@@H]2COCCO2)CC1 1772817258 AAOGNQVOSUJLAS-GOSISDBHSA-N 350.434 1.708 0 50 FDAA CC(C)Cc1cc(C(=O)N2CCCN(Cc3c[nH]nc3C(=O)O)CC2)n[nH]1 1772808808 BRVQXSRIVSXZNS-UHFFFAOYSA-N 374.445 1.378 0 50 FDAA CCCNS(=O)(=O)c1ccc(-c2nc(C)nn2[C@H]2CCOC2)cc1 1772816631 XNGYRGQTKAQMIH-AWEZNQCLSA-N 350.444 1.903 0 50 FDAA CC(C)Cn1nc(C(=O)NC2CCCC2)c2c1CCN(CCC(N)=O)C2 14539763 MYUDISGVVYBFBG-UHFFFAOYSA-N 361.490 1.445 0 50 FDAA Cn1nc(C(=O)NCCc2ccccc2)c2c1CC[C@H](NCCCO)C2 19638343 IDZAMGPQPPIWQS-INIZCTEOSA-N 356.470 1.222 0 50 FDAA C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(CN2CCOCC2)n1C 19799172 ORBZXFKHWKXSGN-KBPBESRZSA-N 367.519 1.434 0 50 FDAA O=C(NCCN1CCOCC1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 19920629 FXMJOLASLFXALA-CYBMUJFWSA-N 351.834 1.141 0 50 FDAA COc1ccc(CCN2C(=O)N[C@H](CC(=O)NC3CCCC3)C2=O)cc1 206239237 UTDURAGJIAUUDF-MRXNPFEDSA-N 359.426 1.607 0 50 FDAA CC(C)[C@H]1C[C@@H](O)CC2(CCN(c3ccc(C(=O)N(C)C)nn3)CC2)O1 1857668294 TXICTBLNIWLVPJ-GDBMZVCRSA-N 362.474 1.713 0 50 FDAA COC(=O)c1cc(N2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)ncn1 1857736365 QPUVTBQGXHASJD-RDTXWAMCSA-N 364.405 1.851 0 50 FDAA CN(C)C(=O)C[C@H]1CN2C[C@H](Nc3ccc(C(F)(F)F)cn3)C[C@H]2CO1 1857737267 DPZNSFXZAKSSQI-RDBSUJKOSA-N 372.391 1.832 0 50 FDAA C[C@H](C(=O)N1CCC2(CC1)CNC(=O)CCO2)N1CCc2ccccc2C1 1857739469 LCLAAQDHYAJZND-MRXNPFEDSA-N 371.481 1.331 0 50 FDAA COc1ccc(-c2nccn2C[C@@H]2CC(=O)N(C)C2)c(C(=O)O)c1OC 1875250288 MMYVXTNPQUQRIL-LLVKDONJSA-N 359.382 1.744 0 50 FDAA Cc1nccn1CCC(=O)N1C[C@H]2c3ccccc3OC[C@@]2(C(=O)O)C1 247957771 MUOJGSCZDMCEDE-KXBFYZLASA-N 355.394 1.671 0 50 FDAA Cn1cccc1-c1nnc2ccc(C(=O)NC3(C(N)=O)CCCC3)cn12 2100480633 LJHPLDQNBVMTAB-UHFFFAOYSA-N 352.398 1.263 0 50 FDAA Cc1cc(=NC(=O)c2cn3cc(CN)ccc3n2)[nH]n1CC(F)(F)F 2325795872 BVCCRBPCAVNYAB-UHFFFAOYSA-N 352.320 1.534 0 50 FDAA CC(C)C[C@H](NCC(F)(F)F)C(=O)N[C@H](CCc1cn[nH]c1)C(=O)O 2325829721 QMYXXZUUEHXNMP-NEPJUHHUSA-N 364.368 1.478 0 50 FDAA COc1ccc(-c2ccc(C(=O)N[C@H]3CCC(=O)NC3=O)c(C)n2)cc1 1857797752 LIVVSHZUOFTRBA-INIZCTEOSA-N 353.378 1.601 0 50 FDAA Cc1cc(Cl)c(S(=O)(=O)NCc2cccnc2)cc1OCC(N)=O 645303 GKZXNWKCMRUKAR-UHFFFAOYSA-N 369.830 1.386 0 50 FDAA COC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2c3c(sc21)CCCC3 1052594 CNMSTESPEWYRTE-UHFFFAOYSA-N 374.418 1.918 0 50 FDAA NC(=O)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)Sc1ncccn1 1131288 ANVMOWJHRMEYNA-NSHDSACASA-N 372.859 1.055 0 50 FDAA COC(=O)CNC(=O)CNC(=O)c1c(-c2ccccc2Cl)noc1C 2866156 RVUADYQUTGTOPK-UHFFFAOYSA-N 365.773 1.322 0 50 FDAA Cn1cncc1C(=O)N1CCC[C@@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356154435 VRDCFIIACBMWMP-SPYBWZPUSA-N 360.458 1.321 0 50 FDAA O=C1N[C@@H]2CCCC[C@@H]2N[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 4058195 UWBQHZKARFQCON-KSZLIROESA-N 356.470 1.125 0 50 FDAA COCCSc1nnc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)s1 4975822 CSPPXYJUSHVWGV-VIFPVBQESA-N 358.489 1.862 0 50 FDAA CCOC(=O)[C@@H](C)NC(=O)CCc1nnc2ccc(N3CCCCC3)nn12 9431103 YJHRLPSKIRLKJB-CYBMUJFWSA-N 374.445 1.115 0 50 FDAA CCn1nccc1C(=O)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 67965631 NCYHJUPYWTTZCE-UHFFFAOYSA-N 366.425 1.797 0 50 FDAA O=C(COc1ccc(-n2cnnn2)cc1)N1CCCC2(CCNCC2)CC1 67458939 NGLXIXLJAQVLCI-UHFFFAOYSA-N 370.457 1.423 0 50 FDAA O=C(Cn1nc(-c2ccco2)ccc1=O)N1CCN(c2ccccn2)CC1 61718518 XZAUUQGBTNGDGS-UHFFFAOYSA-N 365.393 1.247 0 50 FDAA C[C@H]1CN(c2ccccc2NC(=O)N[C@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 229748059 ICGUAGGUCBRWIG-MJBXVCDLSA-N 367.471 1.609 0 50 FDAA O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCCN(Cc2cccnc2)C1 11934284 KMHYUFGSFZWQLJ-INIZCTEOSA-N 363.425 1.908 0 50 FDAA Cc1nn(C)c2ncc(S(=O)(=O)Nc3cn(C)nc3C(F)(F)F)cc12 332204375 DVTLBRQQOCDNPV-UHFFFAOYSA-N 374.348 1.830 0 50 FDAA CC[C@H](O)CNc1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1 67833928 ATODSNUQVVVPBI-KRWDZBQOSA-N 374.485 1.739 0 50 FDAA NC(=O)[C@@H]1CCCN1C(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 478572373 NIENMXNNTQYCMN-JTQLQIEISA-N 354.288 1.845 0 50 FDAA CC(=O)N1C(=O)[C@]2(OC(c3ccncc3)=NN2C(C)=O)c2ccccc21 4754057 ZDUUTOJGESEYOY-GOSISDBHSA-N 350.334 1.368 0 50 FDAA CS(=O)(=O)N(C1CCC1)[C@H]1CCCN(Cc2nccc(N)n2)CC1 328635398 NJGQRVCWAUYBNC-AWEZNQCLSA-N 353.492 1.227 0 50 FDAA Cc1cc(C(=O)N2CCO[C@H](c3ccnc(N4CCCC4)n3)C2)nc(C)n1 328618324 DPBLACLXGZGYPH-KRWDZBQOSA-N 368.441 1.697 0 50 FDAA CCOc1ccc(-c2ccnc(N3CC[C@H](C(=O)NC)C3)n2)cc1C(=O)O 72470366 LSRWFVUJGFTEFL-ZDUSSCGKSA-N 370.409 1.813 0 50 FDAA Cc1cc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)nn1C1CCCCC1 329278724 MCOMKZKJVIXLIC-CYBMUJFWSA-N 354.476 1.460 0 50 FDAA CC(=O)N[C@@H]1CN(C(=O)CCn2nc(C)c(C(C)=O)c2C)C[C@H]1C(C)C 77320011 LNYCJCYDCRDBJP-DLBZAZTESA-N 362.474 1.712 0 50 FDAA CNC(=O)c1n[nH]c2c1CN(Cc1cnc(N3CCCCC3)nc1)CC2 216207812 VBQYBIZJRXIREP-UHFFFAOYSA-N 355.446 1.108 0 50 FDAA CCS(=O)(=O)c1ccc(O)c(-n2ccnc2-c2cc3n(n2)CCNC3)c1 72447570 LTCNMBRFCRLMGN-UHFFFAOYSA-N 373.438 1.338 0 50 FDAA CN(C)c1ncccc1CNC(=O)CN1C[C@@H](c2ccccc2)CC1=O 12437816 KUGXHPHDFQMGIG-KRWDZBQOSA-N 352.438 1.780 0 50 FDAA COc1ccccc1C(=O)N1CCN(C(=O)c2c(C)[nH]c(C)cc2=O)CC1 72470725 YXNDXOYQDGILGO-UHFFFAOYSA-N 369.421 1.599 0 50 FDAA Cc1ncc2c(c1CNC(=O)c1cccc(N3CCNC3=O)c1)CCNC2 72153687 FDXWICQJGAAXCT-UHFFFAOYSA-N 365.437 1.495 0 50 FDAA Cc1cc(=O)c(C(=O)NC[C@H]2CCc3nc(C(F)(F)F)cn3C2)c[nH]1 332994949 HZYGFQFALPKICY-SNVBAGLBSA-N 354.332 1.891 0 50 FDAA O=C(CN1CCCCC1)N1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 72166407 PWOZDQJDBCIRCU-UHFFFAOYSA-N 353.426 1.203 0 50 FDAA Cc1noc(C)c1CN1CCN(C(=O)[C@H]2CCCc3nn(C)cc32)CC1 375624870 MGSWKKMHGBNXQX-HNNXBMFYSA-N 357.458 1.789 0 50 FDAA CNC(=O)c1cccc(CNC(=O)CC2(N3CCOCC3)CCCC2)c1 129153259 WTMFZWHVVXKZPD-UHFFFAOYSA-N 359.470 1.698 0 50 FDAA CC(=O)N(CC(=O)O)[C@@H]1CCCN(C(=O)Cc2noc3ccccc23)CC1 460597791 NFYQLAYIYNWSCL-CQSZACIVSA-N 373.409 1.685 0 50 FDAA COc1ccccc1N1CCN([C@H]2CN(C(=O)c3ccco3)C[C@@H]2O)CC1 71759789 CNIFXPVVQCQWTJ-IRXDYDNUSA-N 371.437 1.296 0 50 FDAA COc1ccccc1C(=O)N1CCN(C(=O)[C@@H]2CCCCCN2C)CC1 77342001 QBRPTHYCAVMTAY-KRWDZBQOSA-N 359.470 1.854 0 50 FDAA CC1(C(=O)NCc2cc3n(n2)CCCN(C(=O)C2CCC2)C3)CCNCC1 77377594 XZJOANWRCWWNTH-UHFFFAOYSA-N 373.501 1.421 0 50 FDAA CCc1nccn1CCC(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1 77354431 QUWCAIHCAPXFHC-UHFFFAOYSA-N 370.453 1.829 0 50 FDAA COc1cccc(N2CCN(c3cc(C4CC(O)C4)nc(N)n3)CC2=O)c1 219440250 HZAKAERGAVAFTH-UHFFFAOYSA-N 369.425 1.159 0 50 FDAA NC(=O)C1(C(=O)N2CCC[C@]3(CCC(=O)N(Cc4ccccc4)C3)C2)CC1 72453500 BZXPGYIJKZLVAQ-FQEVSTJZSA-N 369.465 1.683 0 50 FDAA CN(C)C(=O)N1CCN(c2nccc(-c3cc(C(=O)O)ccn3)n2)CC1 77380486 REQHRWQDKKFZOT-UHFFFAOYSA-N 356.386 1.040 0 50 FDAA CCc1nccc(CN2CCC[C@](O)(CNC(=O)N3CCCC3)CC2)n1 72152681 IJPULXRVYMFLFE-LJQANCHMSA-N 361.490 1.561 0 50 FDAA COc1ccc([C@@H](O)C(=O)NC2CCN(C(=O)N3CCCC3)CC2)cc1 223380176 VWNMPNLXTIFFBY-QGZVFWFLSA-N 361.442 1.525 0 50 FDAA CC[C@@H]1C(=O)N(C)CCN1C(=O)c1cccc(-c2cncc(C(=O)O)n2)c1 426719834 JHIFOLFCDVNTTA-MRXNPFEDSA-N 368.393 1.535 0 50 FDAA COCCn1cnnc1CN(C)C(=O)c1ccc(-c2ncccn2)cc1 426389195 BRNUEKAUZCPSON-UHFFFAOYSA-N 352.398 1.654 0 50 FDAA COCc1nc([C@H]2CCOC2)cc(N2CCN(Cc3nccn3C)CC2)n1 426399317 AVIQHLIKTRCOFL-HNNXBMFYSA-N 372.473 1.183 0 50 FDAA CN(CCc1ccccn1)C(=O)c1nccnc1C(=O)N1CCCCC1 97217699 WHFGDBHNHGTNQG-UHFFFAOYSA-N 353.426 1.812 0 50 FDAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2c(C)c(Cl)c(C)[nH]c2=O)on1 95363243 LPAWMKFBZJGBTA-YPMHNXCESA-N 365.817 1.929 0 50 FDAA Cc1cnc(CN2CC3(CCC2=O)CCN([C@@H](C)C(=O)N(C)C)CC3)cn1 91288987 WRPWIYWCBQRXJP-INIZCTEOSA-N 373.501 1.466 0 50 FDAA Cc1noc(C)c1CC(=O)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)O)C1 96152341 ZTJPERVUBWTVCN-DNVCBOLYSA-N 356.378 1.923 0 50 FDAA O=C1N(Cc2ccc(F)cc2)CCC[C@]12CCN(CCOCCO)C2 426525938 LXCWJVJJFDBXDH-LJQANCHMSA-N 350.434 1.649 0 50 FDAA COc1ccc(C(=O)CCC(=O)N2C[C@@H]3CN(C)C[C@]3(C(=O)O)C2)cc1 96152455 RXTKGNGWWJSQKR-LIRRHRJNSA-N 360.410 1.133 0 50 FDAA CN(C)[C@H](C(=O)N1CCN(Cc2nccn2C)CC1)c1cccc(F)c1 95371884 MGKFWWJZMNDRKS-SFHVURJKSA-N 359.449 1.506 0 50 FDAA C[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCc2noc(CO)n2)C1 91426313 ASCHRMYCIBCNDN-LJQANCHMSA-N 373.409 1.705 0 50 FDAA COc1ccc(C(=O)N2CCCn3nc(CCC(=O)NC4CC4)cc3C2)o1 91603968 UKZDGBKCJMRURJ-UHFFFAOYSA-N 372.425 1.742 0 50 FDAA Cc1cc(C(=O)N2CC[C@]3(CCCN(CC4CCC4)C3=O)C2)cc(=O)[nH]1 95378607 UJEPRBVQBUKBMY-HXUWFJFHSA-N 357.454 1.938 0 50 FDAA c1nc(N2CCOCC2)sc1CN1CCCO[C@@H](CN2CCCC2)C1 97711844 BPBBGRWLKZXTMO-INIZCTEOSA-N 366.531 1.666 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccccn2)CN1Cc1nccs1 96147854 JFGNKMUXOHABLS-JSGCOSHPSA-N 359.455 1.047 0 50 FDAA CSCCc1nc(C2CCS(=O)(=O)CC2)n(-c2ccccn2)n1 96150014 ZWOKWIJOMWTVFK-UHFFFAOYSA-N 352.485 1.860 0 50 FDAA CSCC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1 91620403 XDCMFFQKIHFHPY-UHFFFAOYSA-N 362.499 1.775 0 50 FDAA CCCN(Cc1nccn1C)C(=O)Cn1c(=O)c(C)nc2ccccc21 95519972 RVCRWKGATGFWJR-UHFFFAOYSA-N 353.426 1.877 0 50 FDAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)Nc1ccc(S(C)(=O)=O)cc1 96136585 BMDZWNADEFSBKE-OAHLLOKOSA-N 367.471 1.955 0 50 FDAA O=C(O)COc1ccc(-c2cnccn2)cc1CN1CCc2n[nH]cc2C1 97636555 ZYMAPWGVQGNVGU-UHFFFAOYSA-N 365.393 1.888 0 50 FDAA COCC(=O)N1CCC(C(=O)NCCCc2nc(C)c(C)s2)CC1 95375816 PTPKYKQITRRVGT-UHFFFAOYSA-N 353.488 1.694 0 50 FDAA Cc1ccc2[nH]c(CN3CCN(CC(=O)N4CCCC4)CC3)cc(=O)c2c1 91410598 MIGILCFGYBASHK-UHFFFAOYSA-N 368.481 1.577 0 50 FDAA CCN1C(=O)COc2ccc(NC(=O)N[C@@H](COC)c3ccnn3C)cc21 96159894 AYZZCMYFYPTCJP-ZDUSSCGKSA-N 373.413 1.675 0 50 FDAA CCN1CC[C@@]2(CCC1=O)CN(Cc1nc(CSC)no1)CCN2C 95356129 XOLUUYPYUWHOGU-KRWDZBQOSA-N 367.519 1.451 0 50 FDAA CNc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3=O)ccn1 91819225 FYGHLTLTPMPKFV-DOTOQJQBSA-N 365.437 1.782 0 50 FDAA CCn1ncc(S(=O)(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)c1C 244899371 ZISCFJUCTNBXMI-XEZPLFJOSA-N 350.444 1.397 0 50 FDAA Cc1nc(CNC(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)nc2c1CCCC2 244564023 CLEPSIPZPZEABD-OKILXGFUSA-N 369.473 1.628 0 50 FDAA O=C(C[C@H]1N=C(O)N(Cc2ccccc2)C1=O)NCCc1ccc(O)cc1 252540207 PAEGVZHLBGMESG-QGZVFWFLSA-N 367.405 1.766 0 50 FDAA Cn1c(CN2CCN(C3CCSCC3)CC2)nnc1[C@H]1C[C@H](N)C1 252536783 JOJMFCSXGOBFHT-HDJSIYSDSA-N 350.536 1.033 0 50 FDAA Cc1ccc(N2C[C@H](C(=O)N3CCO[C@H](CC(=O)O)C3)CC2=O)c(F)c1 299752706 VCUCROPPSSKCPH-CHWSQXEVSA-N 364.373 1.189 0 50 FDAA CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)N1C[C@H](C)N[C@H](C)C1 299739938 TWZMQYRTDGKJTJ-MJBXVCDLSA-N 368.503 1.189 0 50 FDAA Cc1ccc2c(NC(=O)N3C[C@H](O)[C@@H](N4CCN(C)CC4)C3)cccc2n1 299768935 NPMNINPNZCQBTJ-OALUTQOASA-N 369.469 1.368 0 50 FDAA Cc1nc(CN2CC[C@@H](NC3CSCCSC3)[C@H](O)C2)cs1 299789373 YQOKRPVKUSUKAQ-HUUCEWRRSA-N 359.586 1.825 0 50 FDAA CN1CCN([C@@H]2CCN(C(=O)Nc3ccc4occc(=O)c4c3)C2)CC1 299775450 JKPJHPODTPUFBT-OAHLLOKOSA-N 356.426 1.647 0 50 FDAA CC(C)n1nccc1S(=O)(=O)NC[C@H]1CC(=O)N(C2CCCC2)C1 670442298 AUSIFXMVFBVKOZ-CYBMUJFWSA-N 354.476 1.533 0 50 FDAA O=C(c1cnccn1)N1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 67758440 APQVSSFUJPUUSY-GOSISDBHSA-N 351.454 1.903 0 50 FDAA CCn1c(O)nnc1[C@@H]1[C@H](C2CC2)CCN1c1cncc(-n2cccn2)n1 1875399387 AXTYZOTWSAWNFC-BBRMVZONSA-N 366.429 1.957 0 50 FDAA Cc1nn(C)c(N(C)C)c1CNC(=O)[C@H]1CCCCN1Cc1cccnc1 1875319039 OTHKGZJEKPDUPN-GOSISDBHSA-N 370.501 1.860 0 50 FDAA COCCn1nccc1[C@@]12CC[C@@H](C1)[C@H]2C(=O)NCCc1cncc(C)n1 1875396128 WHXQWQBBBJCTHW-ZAAXVRCTSA-N 369.469 1.655 0 50 FDAA Cc1nn(C)c2ncc(CNC[C@H](c3cn(C)nn3)N3CCCC3)cc12 1875304011 WQWHQGLPIBFLEB-QGZVFWFLSA-N 354.462 1.332 0 50 FDAA CN(Cc1ccccc1)C[C@H](O)CN1CCC(c2cc(C(=O)O)n[nH]2)CC1 1875310023 ZVTOHCMFPWTXIY-KRWDZBQOSA-N 372.469 1.780 0 50 FDAA O=C(NC[C@@H]1CC2(CCNCC2)CO1)c1cccnc1N1CCCCC1 877331139 LDSFVRJNCQPSQJ-INIZCTEOSA-N 358.486 1.960 0 50 FDAA CNC(=O)[C@]12CCOC[C@H]1CN(C(=O)CCc1nc3ccccc3o1)C2 952887392 CWSTVEZPOLJBPU-YJYMSZOUSA-N 357.410 1.372 0 50 FDAA CNC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@H](NC1CC1)C(F)(F)F 1875284565 ZPSNRXHJDLFLFT-UONOGXRCSA-N 357.376 1.533 0 50 FDAA COc1ccc2nc(C)c(C(=O)N3C[C@@H](C)O[C@@](C)(C(F)F)C3)n2n1 1875268197 JQGNAYVYTBDXJB-JDNHERCYSA-N 354.357 1.931 0 50 FDAA Cc1nc(O)nc(O)c1CC(=O)NCCCN1CCCc2ccccc21 952969233 AKUJEKLXIRKDCP-UHFFFAOYSA-N 356.426 1.698 0 50 FDAA O=C(c1cnc2ccccn2c1=O)N1CCC([C@H](O)c2ccccn2)CC1 952979879 SFUHCURBMCYUHQ-SFHVURJKSA-N 364.405 1.675 0 50 FDAA Cc1ccc(CCC(=O)N2CCN([C@]3(C(N)=O)CCOC3)CC2)c(C)c1 886077578 LIGMYADMPNQSNN-HXUWFJFHSA-N 359.470 1.025 0 50 FDAA Cc1cccc(CCN2CCN(CC(C)C)[C@H]3CS(=O)(=O)C[C@H]32)n1 1565526686 ALNLTUJAFYVPSF-MSOLQXFVSA-N 351.516 1.372 0 50 FDAA COCCN1CCN(S(=O)(=O)Cc2noc3ccccc23)C[C@@H]1C 185809600 SLKGEHXFDIOUDY-ZDUSSCGKSA-N 353.444 1.310 0 50 FDAA Cc1cc(C(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)cnn1 276400900 OFCZWQRYOWXJKC-HNNXBMFYSA-N 352.460 1.252 0 50 FDAA CC(C)(C)OC(=O)N1CCC(C(=O)C2C(=O)OC(C)(C)OC2=O)CC1 87489369 FLLXQDIQYCBDHG-UHFFFAOYSA-N 355.387 1.655 0 50 FDAA in-vitro O=C(CN1CCOCC1)N1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F 279888302 HMXCAQDKXZWJSN-DOMZBBRYSA-N 358.360 1.672 0 50 FDAA CCCc1nnsc1C(=O)N1CC[C@@]2(CCCN(CCOC)C2=O)C1 91693630 AMVMUBQPBKUIFM-KRWDZBQOSA-N 366.487 1.592 0 50 FDAA CS(=O)(=O)C[C@H](NCCc1ccn(-c2ccc(F)cc2)n1)C1CC1 225409005 SNYQQPHMEHBHLU-KRWDZBQOSA-N 351.447 1.967 0 50 FDAA CC(C)n1cc([C@]2(O)CCCN(C(=S)NC3CCN(C)CC3)C2)nn1 795059405 ORBXZUQEBIEXRD-KRWDZBQOSA-N 366.535 1.111 0 50 FDAA N[C@H]1CC[C@@H](n2cc(C(=O)N[C@@H]3COC[C@H]3Cc3ccncc3)nn2)CC1 1704355606 TVTQBQGLZPBOAW-XLMAVXFVSA-N 370.457 1.103 0 50 FDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cc2ccccc2s1 1704338096 LWKCBOWRBMPUNA-QWHCGFSZSA-N 368.480 1.538 0 50 FDAA O=C(CCCn1cncn1)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1616076876 AYSCOGMUWCHXMI-APWZRJJASA-N 365.437 1.980 0 50 FDAA COc1cccc2c1NC(=O)C[C@H]2C(=O)NCc1[nH]nc2ncccc12 1772816580 WGYVJVLSENAWPK-GFCCVEGCSA-N 351.366 1.709 0 50 FDAA CN1CCCCC[C@H]1C(=O)N1CCCN(c2ncccc2C(N)=O)CC1 1772811331 SLPSLIICDBAYCE-INIZCTEOSA-N 359.474 1.094 0 50 FDAA Cc1cccc(CN2CCN(C(=O)C[C@@H]3C(=O)NCCN3C(C)C)CC2)c1 11997202 UBZXVQXJEIOSAY-LJQANCHMSA-N 372.513 1.238 0 50 FDAA O=C(C[C@H]1CCCN(c2nc3ncccc3o2)C1)NCCc1cnc[nH]1 1857697033 IHLBYQDIHQMGJM-CYBMUJFWSA-N 354.414 1.911 0 50 FDAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)c2ccncc2)cn1 1857712335 JDNPTBSNLGMXNF-OALUTQOASA-N 369.469 1.883 0 50 FDAA Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCc3c(O)nc(N(C)C)nc32)C1 1857714348 QKRSSTWLRXZPAU-LJQANCHMSA-N 371.441 1.973 0 50 FDAA COc1ccccc1-n1cc(CNC(=O)[C@H]2CCc3ncnn3C2)cn1 1857729751 RSUDPFBFBMZBOQ-AWEZNQCLSA-N 352.398 1.351 0 50 FDAA Cc1ccc(OCc2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)o2)cc1C 328629000 HSYOWXUBYOMMIR-AWEZNQCLSA-N 367.427 1.598 0 50 FDAA Cc1nn(CCO)cc1CN1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccc1 213238265 IFYMZWOXXRMABI-QUCCMNQESA-N 368.481 1.807 0 50 FDAA CS(=O)(=O)C[C@@H]1CCCN(S(=O)(=O)c2cccc3c2OCC3)C1 331834013 RJDFSBYLSWJMAL-GFCCVEGCSA-N 359.469 1.067 0 50 FDAA Cc1nc2ccccc2n1CC(=O)N1C[C@H]2CCN(C)C[C@@]2(C(=O)O)C1 248151433 UGZLFSPOGKQKKF-AUUYWEPGSA-N 356.426 1.210 0 50 FDAA C[C@@H]1CCN(C(=O)[C@@H]2CCn3nncc3C2)CCN1Cc1ccccc1 2325790113 NVGGFWZJBJBBBR-SJLPKXTDSA-N 353.470 1.964 0 50 FDAA CCn1nc(C2CC2)cc1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CCCO1 2325827663 MNRGACHBADDTHS-AVYPCKFXSA-N 372.469 1.775 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC[C@@](CO)(c3ccccc3)C2)C1 2325889514 URZVBSPZMCRHKH-LAUBAEHRSA-N 356.466 1.964 0 50 FDAA COc1ccccc1N1CCN(C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)CC1 100897453 XETXTEAPMQOLHX-ZZCKCESHSA-N 356.422 1.867 0 50 FDAA O=C(Nc1ccccc1O)c1cccc(S(=O)(=O)N2CCOCC2)c1 806079 JFVWPDOTGHDWHG-UHFFFAOYSA-N 362.407 1.665 0 50 FDAA O=C(c1ccncc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 893062 UPQPLCHRUISXHI-UHFFFAOYSA-N 365.842 1.882 0 50 FDAA O=C1NCCC[C@]12CN(Cc1cnn(-c3cccc(Cl)c3)c1)CC[C@@H]2O 2356137917 AKORUNPVZMRFIL-PKOBYXMFSA-N 374.872 1.989 0 50 FDAA COCc1noc(CN2CCC[C@]23CCCN(Cc2ccccn2)C3=O)n1 2356139827 ZPYBOIULAXYNHR-IBGZPJMESA-N 371.441 1.768 0 50 FDAA O=C(NCC(=O)N1C[C@H]2C(=O)OC[C@H]2C1)c1cc(Cl)ccc1Cl 2356149096 JRNVMMZFDDEMSP-LDYMZIIASA-N 357.193 1.355 0 50 FDAA Cc1nc2c(NC(=O)[C@H]3OCC(=O)N[C@@H]3c3ccccc3)cccn2n1 2356170278 PTOZMXRSDTYSNG-CVEARBPZSA-N 351.366 1.233 0 50 FDAA COc1ccccc1N1CCN(S(=O)(=O)c2cn(C)nc2C)CC1 6714162 WKOVRUHCPCLDBB-UHFFFAOYSA-N 350.444 1.248 0 50 FDAA C[C@H]1CN(S(=O)(=O)CC(F)(F)F)CCN1C(=O)c1cscn1 416501832 JHJRJUSKSTWXKV-QMMMGPOBSA-N 357.379 1.182 0 50 FDAA COCCN1CC[C@H](CNC(=O)CCC(=O)Nc2cc(C)ccc2F)C1 55370727 BDNQBTPVIVKVSB-OAHLLOKOSA-N 365.449 1.937 0 50 FDAA Cc1ccc(N2CCCN(C(=O)CCc3c(C)nn(C)c3C)CC2)nn1 109633260 SCOKRKVLHIXPGY-UHFFFAOYSA-N 356.474 1.807 0 50 FDAA NCc1cn(C[C@@H]2CCCN(C(=O)NCCc3ccc(F)cc3)C2)nn1 23368698 RBJWQMZVYLUTCV-OAHLLOKOSA-N 360.437 1.540 0 50 FDAA O=C(N1CCOCC1)N1CCN(C[C@@H]2CCCN3CCCC[C@H]23)CC1 63884760 JLRJSGUSHXGHNX-ZWKOTPCHSA-N 350.507 1.321 0 50 FDAA O=C(COc1ccc(-n2cnnn2)cc1)N1CCC[C@H](c2ccn[nH]2)C1 67769768 KPWIUGKGFVAVNM-ZDUSSCGKSA-N 353.386 1.170 0 50 FDAA O=C(Cc1ccccc1)N[C@H]1CN[C@H](C(=O)N2CCC(F)(F)CC2)C1 67868561 VXIYSPWFIIEEFP-CABCVRRESA-N 351.397 1.334 0 50 FDAA CCn1c([C@H]2CCCN(Cc3cc(=O)c4ccccc4[nH]3)C2)n[nH]c1=O 67770141 ZQTAOMGGGZMIFQ-ZDUSSCGKSA-N 353.426 1.812 0 50 FDAA Cc1cc(NC(=O)CN(C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)no1 328626249 DXYDPMBLXBQFRG-NSHDSACASA-N 371.363 2.331 0 50 FDAA CCN(CC)c1nc(N)cc(N2CCC(c3n[nH]c(=O)n3CC)CC2)n1 67871956 LCIFREUHMJSJMQ-UHFFFAOYSA-N 360.466 1.194 0 50 FDAA O=C(CCn1ccc(=O)[nH]c1=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 215319093 ABXJXYLBYSDHJX-CYBMUJFWSA-N 368.393 1.474 0 50 FDAA C[C@H](CNC(=O)Cn1nnc(-c2ccc(F)cc2)n1)Oc1cccnc1 219310082 MFPFDKSIWQFGRB-GFCCVEGCSA-N 356.361 1.458 0 50 FDAA CCN1CCN(CC(=O)NC2CCN(Cc3ccccc3F)CC2)CC1 72992822 JPZJWZMDZAXCSD-UHFFFAOYSA-N 362.493 1.544 0 50 FDAA CNc1nnc(CC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)s1 363769691 PXZDGPDMYPFWLI-SFHVURJKSA-N 359.499 2.293 0 50 FDAA CC(C)n1ncc2cc(/C=C/C(=O)N3CCO[C@H](C4CC4)C3)c(=O)[nH]c21 364486989 PSTUJRPMVZQSFU-JFDDCEBESA-N 356.426 1.956 0 50 FDAA CCN1Cc2nc(OC)c(CNC(=O)[C@H](C)Cn3cccn3)cc2C1=O 71662258 LORAWVHYLMLMGN-GFCCVEGCSA-N 357.414 1.215 0 50 FDAA CNc1nc(C)cc(N2CCC3(CC2)C[C@H](C(=O)O)N(C(=O)C2CC2)C3)n1 72158796 ILXZHWQOACFLQX-CQSZACIVSA-N 373.457 1.509 0 50 FDAA Nc1c(N2CCC(CCN3CCOCC3)CC2)ncnc1-n1cccn1 368570568 WMCXKQWKFDIWRY-UHFFFAOYSA-N 357.462 1.183 0 50 FDAA 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COc1ccccc1N1CCN(C(=O)Cn2ccc(=O)cc2)CC1(C)C 220052468 OZXQLGMLVJBTBT-UHFFFAOYSA-N 355.438 1.984 0 50 FDAA O=C(Nc1cccnc1)C(=O)N1CCC[C@@](CO)(Cc2ccccc2)C1 291453705 IUZGPPVZWBILHV-HXUWFJFHSA-N 353.422 1.864 0 50 FDAA O=C1NCCN(C(=O)c2csc(-c3cccs3)n2)[C@H]1Cc1c[nH]cn1 82134017 WKIRVUUNBYZCGC-LBPRGKRZSA-N 373.463 1.778 0 50 FDAA Cc1cc(C)n(CC(=O)NCc2ccc(-c3noc(C)n3)cc2)c(=O)n1 220346924 HMQLWXMABRKDRO-UHFFFAOYSA-N 353.382 1.535 0 50 FDAA NC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(-c3cnc(O)nc3)cc2)C1 426582778 HSAOSKBXAKYEFZ-ZDUSSCGKSA-N 354.410 1.967 0 50 FDAA NS(=O)(=O)c1cccc2c(C(=O)N3CCN(CC4CC4)CC3)nccc12 179710863 MBEYSKBBHVEKGW-UHFFFAOYSA-N 374.466 1.050 0 50 FDAA COc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)ccn1 95390398 JCIKXAGQSHFSLU-GOEBONIOSA-N 366.421 1.862 0 50 FDAA CN1CCN(c2cc(-c3cccc(CN4CCOCC4)c3)nc(N)n2)CC1 97773238 VLXBSXFOHAJXGM-UHFFFAOYSA-N 368.485 1.310 0 50 FDAA CNC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(N3CCCC3)c(Cl)c2)CN1C 95520295 XMJVGKDJXQQCDP-CJNGLKHVSA-N 364.877 1.489 0 50 FDAA O=C(NC[C@@H]1CNCCOC1)Nc1cc(Cl)ccc1-n1cncn1 97759398 YIOXJQBSROGDPZ-NSHDSACASA-N 350.810 1.278 0 50 FDAA Cc1cc(C)n(Cc2ccc(C(=O)NC3(C(=O)O)CCNCC3)cc2)n1 95358430 OUTZNIXAGSBAGW-UHFFFAOYSA-N 356.426 1.485 0 50 FDAA CC(C)Oc1cc(N2CCC[C@@H](c3nccn3CCN(C)C)C2)nc(N)n1 95531633 UIDHEYGDGQSPQH-OAHLLOKOSA-N 373.505 1.988 0 50 FDAA CCN(CC)C[C@@H](O)COc1cc(CN2CCCOCC2)ccc1OC 95524111 JPQVFSNDKRMQHB-GOSISDBHSA-N 366.502 1.999 0 50 FDAA Cn1c(CN2CC[C@@](O)(CN3CCOCC3)C(C)(C)C2)nc2ccccc21 91645413 RPZAVYPKNTYVOM-OAQYLSRUSA-N 372.513 1.869 0 50 FDAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1cc3c(cc1OC)OCO3)C2 91974097 OXJDFORTHPACIB-DZGCQCFKSA-N 362.426 1.493 0 50 FDAA CCc1ccccc1N1C[C@H](C(=O)N2CCO[C@H](CC(=O)O)C2)CC1=O 269048433 UJDJNNAJQOEROB-HUUCEWRRSA-N 360.410 1.304 0 50 FDAA COCC1CCN(S(=O)(=O)NC[C@@H]2COc3ccccc3C2)CC1 96153717 JTQNELXNJVJXIL-OAHLLOKOSA-N 354.472 1.431 0 50 FDAA CCn1ncc(S(=O)(=O)N[C@@H](c2ccccn2)[C@H]2C[C@H](O)C2)c1C 244899372 ZISCFJUCTNBXMI-XJKCOSOUSA-N 350.444 1.397 0 50 FDAA COc1ccccc1CN1C[C@@H](C(=O)NCCc2nccn2C)CC1=O 243893333 APXNLRHYYRXMQS-HNNXBMFYSA-N 356.426 1.136 0 50 FDAA COCCN1C(=O)N[C@@H]2CN(C(=O)CCc3ccc(C)cc3C)CC[C@@H]21 299739699 ABLDQOJCMRCZRO-MSOLQXFVSA-N 359.470 1.877 0 50 FDAA O=C(CC[C@@H]1N=C(O)N(Cc2ccco2)C1=O)N[C@@H](CO)c1ccccc1 252540346 PECFTEHZNOZNMR-HOTGVXAUSA-N 371.393 1.534 0 50 FDAA CC(C)Cc1cc(C(=O)N[C@H]2C[C@@H](c3cc(O)nc(N)n3)C2)nc(N)n1 253535295 QDSKPOOCKYAWKI-JGZJWPJOSA-N 357.418 1.011 0 50 FDAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1nc2ccccc2nc1O 253535881 VNKAHRIWHJQPFK-XHBSWPGZSA-N 350.378 1.972 0 50 FDAA Cc1cc(C[C@H](C)NC(=O)c2ccc(-c3ccc(=O)n(C)n3)cc2)n[nH]1 534634252 CCVYOYARDABUNE-LBPRGKRZSA-N 351.410 1.840 0 50 FDAA CCCCN1CCn2nc(CNC(=O)N[C@@H]3COCC[C@H]3OC)cc2C1 534634940 DYEWILNXKUZIES-IAGOWNOFSA-N 365.478 1.102 0 50 FDAA Cn1nc(C(F)(F)F)cc1C(=O)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 299775204 IXGMVWPGXIZQAI-QWRGUYRKSA-N 356.308 1.016 0 50 FDAA CC[C@H]1CN(Cc2cnc3c(S(C)(=O)=O)cnn3c2)CCN1C(C)C 72167111 YESOCKBKZLTMPY-HNNXBMFYSA-N 365.503 1.437 0 50 FDAA O=C(NC1CCN(c2ccccc2F)CC1)[C@@H]1CCCCn2nnnc21 299785233 JXRYJZUXLPYFLJ-CQSZACIVSA-N 358.421 1.865 0 50 FDAA COc1ccnc(N2CCN(C(=O)Nc3ccc4c(c3)ncn4C)CC2)n1 299791249 DXERYHBAUUNOPB-UHFFFAOYSA-N 367.413 1.726 0 50 FDAA COc1cccc2c1OC[C@@H](NC(=O)c1ccc3c(c1)ncn3CCO)C2 670467118 HDHKBMMBDVEWHU-HNNXBMFYSA-N 367.405 1.771 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)N[C@H]2COc3c(F)cc(F)cc3C2)C1 1875370769 CKHCTGOIQAILNT-SMDDNHRTSA-N 350.365 1.809 0 50 FDAA CCN(C(=O)Cc1cnc2c(C)cccn12)[C@@H]1CCN(C(=O)COC)C1 1875325759 BVFZELDQKVRPAD-OAHLLOKOSA-N 358.442 1.281 0 50 FDAA Cc1ccncc1CCCN[C@@H]1CCN(c2nc(C(N)=O)nc(C)c2C)C1 1875399966 NSISVYOJGFQKBL-QGZVFWFLSA-N 368.485 1.697 0 50 FDAA O=C(NC[C@]12CCC[C@H]1CN(c1ccc3nnnn3n1)C2)c1ccccc1 1875311778 ABJRNDLHFFRZPR-KXBFYZLASA-N 363.425 1.556 0 50 FDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@@H]3COC(C)(C)C3)C2)c1C 1875397683 KEYDSDDQAHGFJI-CABCVRRESA-N 361.490 1.531 0 50 FDAA C=CC(=O)N1CCC[C@@H](C(=O)N2CC[C@](CO)(c3cccc(F)c3)C2)C1 1875372033 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CCO[C@@H](CNC(=O)C(=O)NC1CC2(CO[C@H](C)C2)C1)c1ccccc1 1354752568 MREKGLBRWHYZHA-IKNQFMJRSA-N 360.454 1.954 0 50 FDAA Cc1noc(C)c1CC(=O)N[C@H]1CCOC[C@@H]1Oc1ccc(CO)cc1 1565528436 YDBVABSYMGBUBR-ROUUACIJSA-N 360.410 1.679 0 50 FDAA Cc1cccc2c1N(C1CC1)CCN2C(=O)c1ccc(S(N)(=O)=O)o1 274817210 RVBYSOSSNDRWFO-UHFFFAOYSA-N 361.423 1.865 0 50 FDAA COc1ccc([C@H](CNS(=O)(=O)C2COC2)N2CCCCC2)cc1 276404722 ZSURLWSJINVJBA-KRWDZBQOSA-N 354.472 1.540 0 50 FDAA COCCO[C@@H]1C[C@H](CO)CN(S(=O)(=O)c2ccc(Cl)s2)C1 278917652 UJFMAAOTZWRDSD-WDEREUQCSA-N 369.892 1.436 0 50 FDAA O=S(=O)(NCCN1CCCOCC1)c1sccc1Br 189100193 GZHUTIXCCFZQQE-UHFFFAOYSA-N 369.306 1.511 0 50 FDAA COCC(=O)Nc1ccc(NC(=O)N(C)CCN2CCOCC2)cc1 729630680 ABXBLABNVKPBBA-UHFFFAOYSA-N 350.419 1.067 0 50 FDAA CCCC(=O)N1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1 638562 PSXGCXFMZBZSKZ-UHFFFAOYSA-N 359.430 1.678 0 50 FDAA CCCn1cnnc1CNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1C 1529141932 UVCNOQSPXOEFSX-MSOLQXFVSA-N 371.441 1.211 0 50 FDAA CC(C)c1nc(CNC(=O)[C@H]2OCC(=O)N[C@@H]2c2cccnc2)cs1 1529197313 OJWYMFRJHIAJED-CABCVRRESA-N 360.439 1.534 0 50 FDAA CCn1cc(CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2C)c(C)n1 1529197784 VZKQQPJQXKTMEU-MOPGFXCFSA-N 370.453 1.735 0 50 FDAA Cn1cncc1C(=O)N1CCCN(C2CCN(Cc3ccco3)CC2)CC1 1800412148 VAZLUWZXCCSIRQ-UHFFFAOYSA-N 371.485 1.826 0 50 FDAA Cc1cc(C(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)ccc1N1CCOCC1 1704311734 AXPSOWQOTZUJSJ-WMZOPIPTSA-N 359.470 1.234 0 50 FDAA CC(=O)c1c(C)nn(CCC(=O)N[C@H]2COC[C@@H]2Cc2ccncc2)c1C 1616078192 JVKXLURMNJIFCN-ROUUACIJSA-N 370.453 1.862 0 50 FDAA CN(CC(=O)N1CCCC1)S(=O)(=O)c1ccc(Br)cc1 1162578 DLIMYBCNGMQKTK-UHFFFAOYSA-N 361.261 1.692 0 50 FDAA Cc1nonc1CNC(=O)[C@H]1CCc2sc(N3CCOCC3)nc2C1 1772808538 SSOMLYBKKAUWJD-NSHDSACASA-N 363.443 1.092 0 50 FDAA COc1ccccc1CCNC(=O)C[C@@H]1C(=O)NCCN1CC(C)(C)C 11874740 ZIVRUPVOTKCDEY-MRXNPFEDSA-N 361.486 1.591 0 50 FDAA Cc1nnc2ccc(SCC(=O)N(C)Cc3ccc4nonc4c3)nn12 11880724 BQDOTPCFYCNGKM-UHFFFAOYSA-N 369.410 1.720 0 50 FDAA CCCn1c(=O)c2c(nc(-n3nc(C)c(C)c3C)n2CCC)n(C)c1=O 12518086 HKQMGSMZKHZBGC-UHFFFAOYSA-N 358.446 1.828 0 50 FDAA CCN(CC)C[C@@H](O)COc1cc(CN(C)CCOC)ccc1OC 12835477 WJXPBNPCJJMSTG-QGZVFWFLSA-N 354.491 1.855 0 50 FDAA O=C(NCCCO)c1cn([C@H]2CCCN(CCCc3ccccc3)C2)nn1 14989761 BNGIJQKJUAWCPO-SFHVURJKSA-N 371.485 1.660 0 50 FDAA Cn1ncc(N2CCN(Cc3ccc(-c4csnn4)cc3)CC2)cc1=O 19111231 JLGGJQUMUBQAEE-UHFFFAOYSA-N 368.466 1.621 0 50 FDAA CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)CC1 19530401 KRLNYOQCCLGJBK-MRXNPFEDSA-N 360.410 1.602 0 50 FDAA Cc1noc(C)c1CCCNS(=O)(=O)c1cccc(C(=O)N(C)C)c1 150888275 JOBSRRYVLPYTAB-UHFFFAOYSA-N 365.455 1.904 0 50 FDAA CN1C(=O)CCO[C@H]2CN(C(=O)c3csc(Cc4ccccc4)n3)C[C@@H]21 1857696964 GWLYVCRLVUVZPR-HOTGVXAUSA-N 371.462 1.806 0 50 FDAA CN(C)c1nc(O)c2c(n1)[C@]1(CCCN(C(=O)c3cccc(N)n3)C1)CC2 1857698556 XQQGRQDVKNTPBV-LJQANCHMSA-N 368.441 1.346 0 50 FDAA Cn1ccnc1CCNC(=O)[C@@H]1CC(=O)N(c2nc3ccccc3s2)C1 1857737174 ZTZQPDRSEUSRFO-GFCCVEGCSA-N 369.450 1.742 0 50 FDAA CCn1ccc(C(=O)N2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)n1 1875243005 LDRSNLPQDRFZBT-QKLQHJQFSA-N 366.421 1.818 0 50 FDAA O=C(N[C@H](Cc1ccccc1)CN1CCOCC1)c1ccc2nncn2c1 111124136 SJTQPDIUKBSWOQ-GOSISDBHSA-N 365.437 1.403 0 50 FDAA Cc1cc(=O)c(C(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)CC2)c[nH]1 332794269 DUUMKQIGSDLONL-UHFFFAOYSA-N 373.840 1.864 0 50 FDAA O=C(NCCO)c1cn([C@@H]2CCCN(CCCc3ccccc3)C2)nn1 15003104 RYSKPTXMSRKTLC-QGZVFWFLSA-N 357.458 1.270 0 50 FDAA CCn1c(=O)n(CC)c2cc(NS(C)(=O)=O)c(Br)cc21 4751616 JAWKPCFPFQRZEZ-UHFFFAOYSA-N 362.249 1.977 0 50 FDAA O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N=c1cco[nH]1 2325724428 IRESENANRNKNGR-UHFFFAOYSA-N 371.418 1.926 0 50 FDAA C[C@H]1CNCC[C@H]1NC(=O)c1cnn(-c2ccc(Br)cc2)n1 2325755879 KUCVDHGOLFVNGZ-GXFFZTMASA-N 364.247 1.758 0 50 FDAA COCCn1nnnc1S[C@H]1CCCN(c2ccc(F)cc2)C1=O 2325764983 YOIILORVCSNDEE-ZDUSSCGKSA-N 351.407 1.746 0 50 FDAA Cc1cnccc1N1CCN(C(=O)c2c[nH]nc2-c2ccnn2C)CC1 2325782440 ZZYLPLPZXGOYTC-UHFFFAOYSA-N 351.414 1.476 0 50 FDAA CN(Cc1cnn(C)n1)[C@@H]1CCN(C(=O)[C@H]2CCCc3cccnc32)C1 2325838877 BIQNKHQSZZCMOY-SJORKVTESA-N 354.458 1.363 0 50 FDAA CC(C)COC[C@@H]1C[C@]2(C[C@@](C)(c3csc(N)n3)OC2=O)C(=O)O1 849563 RQPYOCLYNKQFLM-HNHYXYPQSA-N 354.428 1.862 0 50 FDAA biogenic CN1C(=O)c2ccc(NC(=O)CCn3c(=O)oc4ccccc43)cc2C1=O 2868925 WXTHIXRWAGACKT-UHFFFAOYSA-N 365.345 1.849 0 50 FDAA O=C(Cc1ccc(O)c(F)c1)N1CCC[C@]12CCCN(CCO)C2=O 2356165567 JNWOLJSMGIVAMA-SFHVURJKSA-N 350.390 1.050 0 50 FDAA Cc1cc([C@@H](C(=O)O)N2CCN(CC(=O)NC(C)C)CC2)ccc1F 55154602 BHRNPEVVDYFSRU-KRWDZBQOSA-N 351.422 1.402 0 50 FDAA Cc1cc(S(=O)(=O)NCC(=O)N[C@H](C)c2cnn(C)c2)ccc1F 67842658 ICPBBTYTIOSXLP-LLVKDONJSA-N 354.407 1.023 0 50 FDAA Cc1cnc(N2CCN(Cc3ccc(Sc4ncn[nH]4)o3)CC2)nc1N 65375898 FMFZFFGEFJNGTJ-UHFFFAOYSA-N 372.458 1.552 0 50 FDAA CN1CCC2(CC1)CN(Cc1cccn1-c1ncccn1)CCCN2C 67674483 DNTPGDXFCREXAF-UHFFFAOYSA-N 354.502 1.869 0 50 FDAA O[C@@H]1CCCN(c2ccnc(NCc3csc(-c4ncccn4)n3)n2)C1 65370716 GJIVSPMSZDVWDL-CYBMUJFWSA-N 369.454 1.963 0 50 FDAA CN(c1cccc(C(=O)N2CC(=O)Nc3ccccc32)c1)S(C)(=O)=O 65364440 PBMIEBURKGPFEO-UHFFFAOYSA-N 359.407 1.681 0 50 FDAA Cc1c(C(=O)N2CCOCC2)nnn1Cc1ccc(Br)cc1 12336645 LHZGOZMRRGVIDG-UHFFFAOYSA-N 365.231 1.870 0 50 FDAA C[C@H]1CCCN(S(=O)(=O)c2cn(C)nc2C(F)(F)F)[C@H]1C(=O)O 424373778 YIJHXXMNBJIKRP-IONNQARKSA-N 355.338 1.313 0 50 FDAA CCC[C@@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC 9212448 IPVQLZZIHOAWMC-QMHWVQJVSA-N 368.474 1.941 0 50 FDAA in-vitro CCC(CC)N1C[C@H](C(=O)N2C[C@H](O)C[C@@H]2c2nc(C)no2)CC1=O 328609695 FOCXBPMFZXZGHQ-MRVWCRGKSA-N 350.419 1.049 0 50 FDAA CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(Cl)c(Cl)c1 1391705 ILAHQIAKGLWUPT-GFCCVEGCSA-N 359.209 1.887 0 50 FDAA COc1ccc2nc(C3CC3)cc(C(=O)N3CCOC[C@H]3C(N)=O)c2c1 367444237 AKCWFAWNEABBOT-KRWDZBQOSA-N 355.394 1.447 0 50 FDAA Cc1cccc(N2CCN(C(=O)c3ccc4[nH]c(=O)[nH]c4n3)CC2)c1C 283005711 PBCAGCYPWGBMPC-UHFFFAOYSA-N 351.410 1.830 0 50 FDAA CC(C)c1nc([C@@H]2CCCCCN2S(=O)(=O)[C@H](C)C(=O)N(C)C)no1 365118716 WMHDPZJNFRVTHD-OLZOCXBDSA-N 372.491 1.917 0 50 FDAA c1cncc(-c2noc([C@@H]3CCCN(Cc4cc5n(n4)CCNC5)C3)n2)c1 72133496 ZGORYOKNNAFIFJ-OAHLLOKOSA-N 365.441 1.811 0 50 FDAA NCC(=O)N1CCC(N2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 71498375 JLFMWEPUHVJACY-SFHVURJKSA-N 372.513 1.007 0 50 FDAA Cn1nccc1C1=CCN(C(=O)c2cccnc2N2CCOCC2)CC1 329339683 ZFGBBZCRPNDPRJ-UHFFFAOYSA-N 353.426 1.581 0 50 FDAA CC(=O)N1CCCc2ccc(S(=O)(=O)N[C@@H]3CCC[C@@H]3CN)cc21 236574737 ILQDKYUTTXROHG-GDBMZVCRSA-N 351.472 1.391 0 50 FDAA C[C@H](Cn1cc(Br)cn1)C(=O)N1N=CC[C@@]1(O)C(F)(F)F 6852899 ZPEOGFCVELRIOC-GMSGAONNSA-N 369.141 1.751 0 50 FDAA Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)N[C@@H](C)CO 125807985 HDVVAMITKZBYRI-UONOGXRCSA-N 354.472 1.669 0 50 FDAA CN1CCc2n[nH]c(C(=O)N(C)Cc3cc(-c4cccnc4)no3)c2C1 77485859 SVHPMDKJIITXMM-UHFFFAOYSA-N 352.398 1.720 0 50 FDAA Cn1cncc1C(=O)N1CCC[C@@](O)(CNC(=O)c2cccc(F)c2)CC1 72135498 JGMHLPLQKJGZSF-IBGZPJMESA-N 374.416 1.346 0 50 FDAA COC(=O)[C@H](CNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 39094381 FLUZWIRUXDMVNJ-ZDUSSCGKSA-N 352.387 1.979 0 50 FDAA COCc1ncc(CN2CCN(c3ccc(C(=O)OC)cc3)CC2)cn1 72476760 MPIGWCRFSQDWFJ-UHFFFAOYSA-N 356.426 1.732 0 50 FDAA Cn1nnc(NS(=O)(=O)c2ccc(Br)cc2Cl)n1 127691015 DRGWWIUEYJZSNL-UHFFFAOYSA-N 352.601 1.427 0 50 FDAA O=C1CCc2cc(S(=O)(=O)NCCOCC(F)(F)F)ccc2N1 36646370 TURIQECAABPJHN-UHFFFAOYSA-N 352.334 1.429 0 50 FDAA O=C(c1ccccc1F)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 38522454 UYWDQGHJDUKLDT-UHFFFAOYSA-N 371.416 1.415 0 50 FDAA Cn1c(CN2CCCCC2)nnc1C1CCN(c2cc(N)ncn2)CC1 77438092 NUSDEIYKQILEDY-UHFFFAOYSA-N 356.478 1.557 0 50 FDAA CCOCC(=O)N1CCC(C(=O)N[C@@H](C)Cn2nc(C)cc2C)CC1 218859817 WMAZBTFIHKEJSW-AWEZNQCLSA-N 350.463 1.280 0 50 FDAA COc1nc2c(cc1CNC(=O)c1cc(N)[nH]n1)C(=O)N(C1CCCC1)C2 71764959 HEYDWNXQUIMGLN-UHFFFAOYSA-N 370.413 1.224 0 50 FDAA O=C(NCc1ccccc1-n1ccnc1)N1CCN(C[C@H]2CCOC2)CC1 175980972 VVSOKNPHJPATCA-QGZVFWFLSA-N 369.469 1.736 0 50 FDAA CCc1oc(C(=O)OC)cc1S(=O)(=O)N1C[C@@H]2CCCN2C[C@H]1CC 245522048 LJEMFLSJIDXVJB-OLZOCXBDSA-N 370.471 1.876 0 50 FDAA O=C(Cn1cc(Cl)cn1)N1CCOC[C@@H]1c1ncnn1-c1ccccc1 288082808 HHRKVKUROJABCU-OAHLLOKOSA-N 372.816 1.717 0 50 FDAA Cn1cc(CNC(=O)N2CC[C@H](C(=O)N3CCCC3)C2)c(C(F)(F)F)n1 286583369 CUIZXGMQXSOZRC-NSHDSACASA-N 373.379 1.593 0 50 FDAA CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCSC(C)(C)C)C1 44840488 ZRFKRZGQFWTWPG-LBPRGKRZSA-N 351.538 1.153 0 50 FDAA CCCc1cc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2CC(C)(C)C)n[nH]1 20779438 XLUKGWCTTXEVMT-MRXNPFEDSA-N 363.506 1.557 0 50 FDAA CS(=O)(=O)NCc1cc2n(n1)CCN(Cc1ccc(Cl)s1)C2 426489854 CEKALVQDLLAGPC-UHFFFAOYSA-N 360.892 1.663 0 50 FDAA O=C1CCCN1C[C@H](O)CN1CCN(c2nc3ccccc3s2)CC1 178506028 TZMNDPWGMNAYEJ-CQSZACIVSA-N 360.483 1.402 0 50 FDAA COc1cccc(CS(=O)(=O)NCc2nnc(C3CCC3)n2C)c1 162188769 NDWCQSOPXHUVGE-UHFFFAOYSA-N 350.444 1.711 0 50 FDAA CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(Cc1cc3ccccc3n1C)C2 95506230 LNABHDGPTFEAIR-DLBZAZTESA-N 368.481 1.689 0 50 FDAA C[C@@H](NC(=O)c1cnc(Cn2cncn2)nc1O)c1cn2ccsc2n1 92019666 VANIBDHQGLBBBJ-SECBINFHSA-N 370.398 1.022 0 50 FDAA CCn1nccc1S(=O)(=O)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 91974280 WDPZBUKFJMWCLX-QGZVFWFLSA-N 366.487 1.316 0 50 FDAA CC(=O)NC[C@H]1CCC2(CCN(C(=O)Nc3c(C)nn(C)c3C)CC2)O1 96179660 QRFDZFDRQCJEPX-OAHLLOKOSA-N 363.462 1.719 0 50 FDAA O=C(CCn1c(CO)nc2ccccc21)N1CCN(c2nccs2)CC1 97819560 VTHKSORLDPBTJI-UHFFFAOYSA-N 371.466 1.724 0 50 FDAA CC(=O)N[C@@H]1CN(CC(=O)N2C[C@H](C)O[C@H](C)C2)C[C@H]1c1ccc(C)cc1 95505471 UMJONFYKZPQCNL-ACZWYYKOSA-N 373.497 1.535 0 50 FDAA Cc1cc(-c2ccc(C(=O)N3CCC[C@H](C(N)=O)C3)cc2)nc(N(C)C)n1 426382985 BQRBGGTXXDRNCE-INIZCTEOSA-N 367.453 1.856 0 50 FDAA CCN1CCC(CC(=O)N2CCc3c(nc(CC4CC4)[nH]c3=O)C2)CC1 95501129 YSAOSBGZESYMHS-UHFFFAOYSA-N 358.486 1.729 0 50 FDAA CCN1CC[C@]2(CCC1=O)CN(Cc1nc(CSC)no1)CCN2C 95356130 XOLUUYPYUWHOGU-QGZVFWFLSA-N 367.519 1.451 0 50 FDAA COc1cc(-n2cnnn2)ccc1NC(=O)N[C@H](C)CCn1cccn1 96180942 IIABONHKDDTJJG-GFCCVEGCSA-N 356.390 1.468 0 50 FDAA O=C(NCc1nnnn1-c1ccccc1)[C@H]1CC(=O)N(C2CCCC2)C1 91616978 LMVPRJSTWUZMGW-ZDUSSCGKSA-N 354.414 1.070 0 50 FDAA COc1cccc(CN2CCN(C(=O)c3cc(C)c(C)[nH]c3=O)CC2=O)c1 91643669 QENFPZPRPXESLV-UHFFFAOYSA-N 369.421 1.485 0 50 FDAA CNS(=O)(=O)CCN1C[C@@](C)(Cc2ccc3c(c2)OCO3)CCC1=O 91364784 NUBIHQZFULPUKN-QGZVFWFLSA-N 368.455 1.136 0 50 FDAA O=C1CCCN1[C@H]1CCCN(Cc2cnc(N3CCOCC3)s2)C1 97480055 WKWIHVVLWBMGAH-AWEZNQCLSA-N 350.488 1.567 0 50 FDAA Cc1noc(C)c1S(=O)(=O)N1CC[C@@H](Cc2cccc(C(N)=O)c2)C1 91665824 AIGVCIPQOIYUGA-AWEZNQCLSA-N 363.439 1.644 0 50 FDAA NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1CCN(C2CCCCC2)CC1 97527905 ASEIBDRJSPYAQR-IBGZPJMESA-N 373.497 1.950 0 50 FDAA Cc1ccc([C@@H]2CN(C(=O)Cn3cnnn3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95377123 IESOVBOTSPRZGT-QXAKKESOSA-N 352.442 1.070 0 50 FDAA O=C(c1cc(F)cc(F)c1)N1C[C@H](CO)[C@H](CN2CCC(O)CC2)C1 92099630 QRPQAQJAEWORFQ-ZIAGYGMSSA-N 354.397 1.102 0 50 FDAA O=C(NCc1n[nH]c(-c2ccccc2)n1)[C@H]1CCCN(C2CCOCC2)C1 95363523 LAKMZPGXGRDAEZ-INIZCTEOSA-N 369.469 1.979 0 50 FDAA Cc1ccc(-c2nc(CN3CC[C@@]4(CCCN(CCO)C4=O)C3)no2)cc1 91476679 GYJULTXYKHIJBE-FQEVSTJZSA-N 370.453 1.852 0 50 FDAA COc1ccccc1[C@@H]1CN(C(=O)Cn2cnc(C)c2C)C[C@H]1C(=O)O 91943433 FSXUNHKXVACGGP-JKSUJKDBSA-N 357.410 1.835 0 50 FDAA O=C1CC[C@@H](C(=O)NCCCSCc2ccccc2F)NC(=O)N1 97602330 FOVOWEOMQUXKNX-ZDUSSCGKSA-N 353.419 1.553 0 50 FDAA CO[C@@H](C)C(=O)N1CCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)CC1 91746807 NNQOTRQBNXUSBD-HNNXBMFYSA-N 360.458 1.551 0 50 FDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cc(C)no1)CC2 95530630 OVKPQSCAFRQATJ-UHFFFAOYSA-N 357.414 1.632 0 50 FDAA Nc1cc(N2CCC[C@@]3(CCC(=O)N(Cc4cccnc4)C3)C2)ncn1 91794300 RRPYIPDDZLSVTO-LJQANCHMSA-N 352.442 1.863 0 50 FDAA COc1cccc(C(=O)N[C@H]2C[C@@H](c3cc(NCCO)ncn3)C2)c1F 244900042 ZVDGEQSJSWOPGN-TXEJJXNPSA-N 360.389 1.705 0 50 FDAA CCc1n[nH]c(SCC(=O)N2CCN(Cc3csc(C)n3)CC2)n1 244646965 GSLCCNCEUBNATA-UHFFFAOYSA-N 366.516 1.569 0 50 FDAA COc1ccc([C@H](NC(=O)CC2=CSC3=NCCN23)[C@H]2C[C@H](O)C2)cn1 244734882 NNKLWJCMKIOFJV-JDFRZJQESA-N 374.466 1.668 0 50 FDAA Cn1c(Cn2ccnc2)nnc1[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](O)CC2)C1 244866449 VWKFJGITLHFJMT-HRCADAONSA-N 372.473 1.317 0 50 FDAA Cc1nc(CCNC(=O)N2CC[C@@]3(CN(C)C(=O)CO3)C2)sc1Cl 534659713 IGGYKBRPHRDQFY-OAHLLOKOSA-N 372.878 1.290 0 50 FDAA O=C(O)[C@@H]1CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)C1 269183089 LVSAZKAJWVBXCP-CQSZACIVSA-N 351.424 1.272 0 50 FDAA Cc1ccc(S(N)(=O)=O)cc1NC(=O)N1CCC[C@H]1Cn1cccn1 299769924 PLRJCSPWWHLLAU-ZDUSSCGKSA-N 363.443 1.535 0 50 FDAA NC(=O)[C@H]1CCCN(CCNC(=O)c2cccc(-c3ccncc3)c2)C1 299781657 UQVJSVOZVFOMAX-SFHVURJKSA-N 352.438 1.676 0 50 FDAA CC(C)N(C[C@H]1CCC(=O)N1)C(=O)Nc1ccccc1CC(=O)N(C)C 299776246 MDAYDACBLPVIEO-OAHLLOKOSA-N 360.458 1.838 0 50 FDAA COc1cc2c(cc1CNc1cc([C@H]3CCOC3)nc(N)n1)OCCO2 299765365 AIUJORQWRDKSLO-NSHDSACASA-N 358.398 1.955 0 50 FDAA CN(CCO)c1ccc(C(=O)N2CCC3(CCNC(=O)CC3)CC2)cc1 299776439 BOYHUCVFJVKAQW-UHFFFAOYSA-N 359.470 1.638 0 50 FDAA Cc1nc([C@@H](C)NC(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)n[nH]1 299793773 HLRRRYKUWUSSTG-SECBINFHSA-N 357.374 1.394 0 50 FDAA CCCc1[nH]ccc1C(=O)N1CC(N2C[C@@H](c3nc(C)no3)CC2=O)C1 864683483 DHWPJWLZDFCIJG-LBPRGKRZSA-N 357.414 1.499 0 50 FDAA O=C(N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O)c1ccccc1-c1cncnc1 1875402865 MWFHKXGYJIPQSJ-GDIGMMSISA-N 363.421 1.910 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)C1(Oc2ccccc2F)CC1 1875403690 YKBRQCHVIUJTPN-FVQBIDKESA-N 359.401 1.890 0 50 FDAA CCN1CCO[C@@H](CNC(=O)CCc2ccccn2)[C@@H]1c1cncn1C 952853074 ZFUDWRIIBJSTQI-HKUYNNGSSA-N 357.458 1.326 0 50 FDAA C[C@@]1(c2ccc(F)c(F)c2)C[C@@H]1C(=O)NC1CC(NS(C)(=O)=O)C1 1875252667 VIFFUGZXZFJYQF-YRGDBFGRSA-N 358.410 1.439 0 50 FDAA COC(=O)[C@@]1(CNC(=O)[C@H]2CCCC23CCNCC3)CC12CCOCC2 1875292745 RJIVXKBJVZMCOC-QRWLVFNGSA-N 364.486 1.632 0 50 FDAA C[C@H](N)[C@@H]1CCCN(C(=O)C(=O)N[C@@H](Cc2ncc[nH]2)c2ccccc2)C1 1875266179 QTZKVUMEYBIPAT-UAGQMJEPSA-N 369.469 1.396 0 50 FDAA O=C(C[C@@H]1Cc2ccccc2NC1=O)N[C@H]1CCNC(=O)c2[nH]ccc21 1875331488 JIELYAJVIPUWKO-WFASDCNBSA-N 352.394 1.507 0 50 FDAA COc1cc(N2CCN(C(=O)c3n[nH]c4c3C[C@H](C)O[C@@H]4C)CC2)ncn1 1875393727 MFTNODAPEDBMNZ-NWDGAFQWSA-N 372.429 1.193 0 50 FDAA O=C(N[C@@H]1CC[C@@H]2SCCS[C@H]21)N1Cc2nc(O)nc(O)c2C1 1875300394 BJMHZNAQWWETLS-MIMYLULJSA-N 354.457 1.293 0 50 FDAA COCCn1nc2c(c1C(=O)N1CCC(F)(CO)CC1)C[C@H](C)O[C@@H]2C 1875314914 ZRVFKCHSYRMACF-QWHCGFSZSA-N 369.437 1.488 0 50 FDAA Cc1nn(C)c(Cl)c1CN1CC[C@H](NC(=O)c2cc[nH]n2)C[C@H]1C 1875328323 LGIBABPVJJAXKR-PWSUYJOCSA-N 350.854 1.888 0 50 FDAA COC[C@H]1CCCN(S(=O)(=O)N(C)CCCc2c(C)n[nH]c2C)C1 952980525 XAYNSWQYZSWOEO-HNNXBMFYSA-N 358.508 1.494 0 50 FDAA CN(C[C@H]1CC(=O)N(C(C)(C)C)C1)S(=O)(=O)CCOc1ccccc1 952990013 UEYFVGGQYJNRKA-OAHLLOKOSA-N 368.499 1.974 0 50 FDAA Nc1nc(N2CCC[C@H](CNC(=O)c3cccs3)C2)c2nc[nH]c2n1 952983551 URUAGGKWIQWNOB-SNVBAGLBSA-N 357.443 1.643 0 50 FDAA Cc1noc([C@]23CCC[C@H]2CN(C(=O)Cc2nc(C4CC4)nn2C)C3)n1 888098301 FLPZAMVZZRKEKJ-UGSOOPFHSA-N 356.430 1.507 0 50 FDAA COCCN1C[C@@H]2CC[C@H]1CN(C(=O)CCn1c(O)nc3ccccc31)C2 1565525167 RVBSKVBANDSYDR-HOTGVXAUSA-N 372.469 1.701 0 50 FDAA Cc1c(C(=O)N2CCc3ccccc3[C@@H]2C(N)=O)cnn1-c1ccncc1 1319568866 VFSVSQIPNFUNRT-GOSISDBHSA-N 361.405 1.801 0 50 FDAA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@]1(O)CCSC1 275477195 MNWIDUSZPGHVOY-XEZPLFJOSA-N 373.519 1.690 0 50 FDAA CN(CC(=O)O)C[C@H]1CN(C(=O)CCCOc2ccccc2)CCO1 275482171 ABSACOXHBUIVNY-INIZCTEOSA-N 350.415 1.089 0 50 FDAA CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)c2ccn(C)c(=O)c2)CC1 276091727 VULIFYGFBPVRDG-GOSISDBHSA-N 354.454 1.907 0 50 FDAA CC(=O)Nc1ccc(NC(=O)[C@H](C)N2CCc3n[nH]c(=O)cc3C2)cc1 170599699 GMXZCTWPMZGPDF-NSHDSACASA-N 355.398 1.114 0 50 FDAA O=C(CSc1n[nH]c(=O)[nH]1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 170600219 XSVCKCVFIZESGW-LLVKDONJSA-N 354.819 1.444 0 50 FDAA O=C(CCn1c(S)nnc1-c1cccs1)NC[C@@H]1CCC[C@@H]1O 170651860 NTWSPHZMRKSFSE-QWRGUYRKSA-N 352.485 1.963 0 50 FDAA CO[C@H](CNc1cc(N2CCN(C)C(=O)C2)ncn1)c1ccc(F)cc1 302551395 IKLOXGIAKLSPKL-OAHLLOKOSA-N 359.405 1.694 0 50 FDAA O=C(NC[C@H](O)C1CCCCC1)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 225395531 ADLZCFPFSRVOSM-KSZLIROESA-N 364.486 1.485 0 50 FDAA Cc1nc(N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c2sccc2n1 1704314413 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1857711429 ZDUFLEYPIHXAIZ-CQSZACIVSA-N 361.373 1.527 0 50 FDAA O=C(c1ccc2nn[nH]c2c1)N1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857725213 NJALAVUVEDMWCV-VXXKDZQQSA-N 364.405 1.167 0 50 FDAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)c4c(Cl)cnn4C)[C@@H]2CC(=O)N13 1857731254 MTHTXAVCYGNFPK-OZVIIMIRSA-N 352.822 1.271 0 50 FDAA COc1cccc2c1OC[C@@H](C(=O)Nc1nc3nc(C)c(C)c(=O)n3[nH]1)C2 1875246474 IRVFLBCHZMMQLU-LBPRGKRZSA-N 369.381 1.233 0 50 FDAA CN1CCO[C@H](C(=O)N(C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)C1 328638831 WNZYMTOTALHMNA-RYUDHWBXSA-N 360.380 1.253 0 50 FDAA COc1ccccc1OCCN(C)C(=O)c1cn(C2CCNCC2)nn1 237145893 VICRJUMFWJZMII-UHFFFAOYSA-N 359.430 1.362 0 50 FDAA CC(C)[C@]12O[C@@H]1[C@@H]1O[C@]13[C@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@]13C2=O 257547033 SWOVVKGLGOOUKI-GKFQXHTRSA-N 358.390 1.311 0 50 FDAA biogenic Cc1cc(C(=O)Nc2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2)nn1C 262431879 DZYULBPRVKWWJW-UHFFFAOYSA-N 370.409 1.918 0 50 FDAA O=C(NC[C@H]1CCC[C@@]12NC(=O)NC2=O)Nc1ccc2oc(=O)ccc2c1 266616846 KBRGQEAQIFGOAO-ADLMAVQZSA-N 370.365 1.293 0 50 FDAA CN1CCC(CN(C)C(=O)[C@@H](O)[C@](O)(c2ccccc2)C(F)(F)F)CC1 900573421 CKEFVGUCWFGXJC-NVXWUHKLSA-N 374.403 1.598 0 50 FDAA COc1cncc(N2CCN(C(=O)c3ccc4c(=O)ccoc4c3)CC2)n1 2325749083 CWENKORZOVUMNR-UHFFFAOYSA-N 366.377 1.554 0 50 FDAA COc1cc(C)c2c(c1)N[C@H](C(=O)NCc1nnn(C)c1C(F)(F)F)C2 2325787791 WWXDLGSKKDFZTP-LBPRGKRZSA-N 369.347 1.804 0 50 FDAA O=C(CN1C(=O)CCCc2ccccc21)NC[C@H]1CN(C2CC2)CCO1 2325802320 ZOCJIAKKKCJCBY-KRWDZBQOSA-N 357.454 1.335 0 50 FDAA Cc1nc(-c2ccc(CNC(=O)c3cc([C@@H]4CCCN4)nn3C)cc2)n[nH]1 2325856210 GBBCTANSZXDFOT-HNNXBMFYSA-N 365.441 1.868 0 50 FDAA CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1 1109236 ABPFRKCDSNGHSY-UHFFFAOYSA-N 354.472 1.412 0 50 FDAA CCCN1CCC[C@@]2(CCCN2C(=O)CNC(=O)c2ccccc2)C1=O 2356135622 MNISBQYTODJGNR-HXUWFJFHSA-N 357.454 1.810 0 50 FDAA CN(C)C(=O)[C@@H]1CN(c2nccc(-c3ccc(N(C)C)cc3)n2)CCO1 2356137567 PXFCYPLVWYQRFZ-KRWDZBQOSA-N 355.442 1.503 0 50 FDAA Cc1ncc(-c2ccc(C)c(S(=O)(=O)N3C[C@@H]4CNC(=O)[C@@H]4C3)c2)o1 2356153200 WIWJUKKNLNYFGY-UONOGXRCSA-N 361.423 1.325 0 50 FDAA Cn1[nH]c(C(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)nc1=O 2356161093 GBPQIGUJXHCANW-UHFFFAOYSA-N 367.409 1.294 0 50 FDAA O=C(N=c1[nH][nH]cc1-c1ccccn1)c1coc(CN2CCOCC2)c1 2356168681 AVLRRUKONQXVQH-UHFFFAOYSA-N 353.382 1.571 0 50 FDAA Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314 3812989 NETZHAKZCGBWSS-CEDHKZHLSA-N 357.450 1.707 0 50 FDAA fda O=C(NCc1ccccn1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 7847974 MYUIYDGKWUYCCS-CYBMUJFWSA-N 365.480 1.860 0 50 FDAA CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)C1 247503316 MNEPMUZIFRZCEU-LRPIPIIISA-N 355.504 1.519 0 50 FDAA CC(=O)Nc1cccc(NC(=O)CCn2c(=O)[nH]c3ccccc3c2=O)c1 9577167 OKZXTQSTSGMSFD-UHFFFAOYSA-N 366.377 1.677 0 50 FDAA COCCCn1c(CN(C)CCN2CCCCC2)cnc1S(C)(=O)=O 20774637 LVGMWEIGUCOYOY-UHFFFAOYSA-N 372.535 1.241 0 50 FDAA Cc1cccc(C)c1OCc1cc(C(=O)NCCN2CCNC2=O)no1 67541199 BRVDEAHUPJUSOU-UHFFFAOYSA-N 358.398 1.625 0 50 FDAA O=C(c1cc2n(n1)CCCN(C(=O)c1ncccc1O)C2)N1CCCC1 65404805 RDQRSNCVSLTMLQ-UHFFFAOYSA-N 355.398 1.266 0 50 FDAA Cc1c(CN2CCn3nc(C(=O)NCCO)cc3C2)[nH]c2ccc(F)cc12 67834265 LDQRDEBFHBAVHZ-UHFFFAOYSA-N 371.416 1.550 0 50 FDAA O=C(N[C@@H]1CCCN(c2ncccn2)C1)C1(N2CCOCC2)CCCCC1 20601370 BVQMVVOFYJKGTL-QGZVFWFLSA-N 373.501 1.597 0 50 FDAA C[C@H]1OCC[C@]1(O)CNC(=O)c1ccccc1I 228705070 CMNJGGWWOGMANG-RNCFNFMXSA-N 361.179 1.561 0 50 FDAA CCN1CCN(C(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)CC1 67613272 CUZGROIYTOZHCT-CYBMUJFWSA-N 357.451 1.144 0 50 FDAA O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)N[C@H]1COc2ccccc21 252486091 FAYKCAYZJOLHSP-GZIXRCOHSA-N 361.467 1.962 0 50 FDAA NCc1cn(CC2CCN(C(=O)c3ccccc3OC(F)F)CC2)nn1 23478571 ZHKCJYHFLIMVLN-UHFFFAOYSA-N 365.384 1.891 0 50 FDAA CC1(C)CCN(Cc2cn(C[C@H]3CCCN(S(C)(=O)=O)C3)nn2)C1 23153665 CCKCKAVEKXTOHO-CQSZACIVSA-N 355.508 1.182 0 50 FDAA C[C@H](Oc1ccccc1Br)C(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 252517357 GMLQXRJWINMUBP-WHOFXGATSA-N 369.259 1.758 0 50 FDAA CCOC(=O)CN1CCN(c2ncccc2C(=O)N2CCCCC2)CC1 65502678 QWKPIQCPRNHDTN-UHFFFAOYSA-N 360.458 1.393 0 50 FDAA Cn1cc(CCC(=O)NCCn2nc(-c3ccccc3)ccc2=O)cn1 215428028 MOANMVOSVJUXDV-UHFFFAOYSA-N 351.410 1.393 0 50 FDAA Cc1ccccc1N1CCN([C@H]2CCCN(CC(=O)NC3CC3)C2)CC1 72129501 ILNCUKPHTSRJHZ-IBGZPJMESA-N 356.514 1.860 0 50 FDAA Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cc2)C1 77355418 CBFMODHZEFFDPL-CQSZACIVSA-N 365.397 1.131 0 50 FDAA CC1CCN(C(=O)COc2ccccc2CN2CCOC[C@H](O)C2)CC1 77407649 UCGMVFBRPRLGKH-GOSISDBHSA-N 362.470 1.517 0 50 FDAA CC1(C)COCCN1CCNC(=O)N1CC[C@@H](O)[C@H](C2CCCC2)C1 333729468 JPOKDQJDIJJAEK-DLBZAZTESA-N 353.507 1.680 0 50 FDAA CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)[C@@H]1CCCO1)C2 72133154 RTPFTOTXFSFOQJ-INIZCTEOSA-N 353.426 1.668 0 50 FDAA CC(=O)N1CCc2c(nc(-c3ccncc3)nc2NCCc2cn[nH]c2)C1 71752034 KMOULYMUNRGTGS-UHFFFAOYSA-N 363.425 1.821 0 50 FDAA CN1CC(=O)N(CC(=O)N2CC[C@H](c3cn(C)c4ccccc34)C2)C1=O 371065509 RSOBXLXOMXZFSA-ZDUSSCGKSA-N 354.410 1.388 0 50 FDAA Cn1nccc1[C@H]1[C@H](NCc2nnc(C3CC3)n2C)CC(=O)N1C1CC1 285291716 RIAKZACKRMERGP-CXAGYDPISA-N 355.446 1.020 0 50 FDAA Cc1nc(=O)[nH]c(C)c1CCC(=O)N(C)Cc1nc(-c2ccncc2)no1 77406693 ZWUAIWIPNLPVKC-UHFFFAOYSA-N 368.397 1.423 0 50 FDAA Cc1onc(-c2ccccc2)c1C(=O)N1CCO[C@@]2(CNCCOC2)C1 72154028 VUPXTHIUSDMVDR-IBGZPJMESA-N 357.410 1.481 0 50 FDAA Nc1nnc(SCC(=O)N2CCC(Oc3cccnc3)CC2)s1 215163680 HRUWFWXQTMGDMQ-UHFFFAOYSA-N 351.457 1.677 0 50 FDAA Cc1ccccc1C(=O)NC[C@@H]1CCN(C(=O)C2(O)CCCC2)C[C@H]1O 72421500 RGRBVXRERHDLJA-DOTOQJQBSA-N 360.454 1.239 0 50 FDAA CCC(CC)N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2ncc[nH]2)[C@@H]3C1=O 77452679 QLKBUEKAHHROCB-PSLQGDIJSA-N 358.442 1.339 0 50 FDAA O=C(NCC1CCS(=O)(=O)CC1)N1CCC(Cc2cccnc2)CC1 378419305 FDVVFKJDVXTVMN-UHFFFAOYSA-N 365.499 1.871 0 50 FDAA CCC(CC)N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2ncc[nH]2)[C@H]3C1=O 77452685 QLKBUEKAHHROCB-YBKUAAOGSA-N 358.442 1.339 0 50 FDAA CC[C@@H](C(=O)NC1CCN(C(=O)c2ccccc2)CC1)N1CCCC1=O 175072421 MEDZDHZLGRELEW-KRWDZBQOSA-N 357.454 1.808 0 50 FDAA COc1ccccc1N1CC[C@H](CNC(=O)N2CCC[C@H](CC(N)=O)C2)C1 175423790 ZERHNJFDXMKTAE-HZPDHXFCSA-N 374.485 1.819 0 50 FDAA O=C(NC1CCC1)[C@H]1CN(S(=O)(=O)c2c(F)cccc2F)CCO1 72457638 DDFWGIYUFWHROX-CYBMUJFWSA-N 360.382 1.023 0 50 FDAA Cc1ccc2[nH]c(CCCNC(=O)c3c[nH]nc3-n3cnnn3)nc2c1C 223505051 GRGDOUXRELQMID-UHFFFAOYSA-N 365.401 1.241 0 50 FDAA CCn1cc(C(=O)NC[C@@H]2C[C@H](F)CN2)c(=O)c2cc(F)c(F)c(F)c21 82146330 QLDMOYCLDWYVPU-IUCAKERBSA-N 371.334 1.869 0 50 FDAA COc1ccccc1O[C@H]1CCCN(S(=O)(=O)c2c(N)noc2C)C1 289819618 KQOPEBFFIXBTBI-LBPRGKRZSA-N 367.427 1.806 0 50 FDAA Cc1ccc2c(c1)c(CNC(=O)Cn1ccc([C@@H]3CCCNC3)n1)nn2C 426421213 POBRYZWJAPAGLE-OAHLLOKOSA-N 366.469 1.862 0 50 FDAA CCOC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(CO)C=C[C@@]3(C)O2)c1 226628280 WKKAPEKUXJUAHC-CFGMGRTJSA-N 357.362 1.059 0 50 FDAA COc1nc(C)c(C(=O)N2C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C2)s1 82097780 FNRNIVGAJDVYNB-WDEREUQCSA-N 361.489 1.106 0 50 FDAA C[C@H]1CN(c2ccccc2Cl)C(=O)CN1C(=O)Cn1cccnc1=O 82109460 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357.374 1.284 0 50 FDAA O=C(c1ccccn1)[C@H]1CCCN(C(=O)c2ccccc2-c2nn[nH]n2)C1 1506399499 GWWZGIDCKKOIOS-ZDUSSCGKSA-N 362.393 1.997 0 50 FDAA COc1cc(C(=O)N2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)cc(OC)c1O 1704300961 CZMPKGKXIHXDTP-TZMCWYRMSA-N 361.398 1.117 0 50 FDAA CO[C@@H]1C[C@H](C(=O)N2CCC(c3nnc4ccccn34)CC2)CC[C@@H]1O 1704339437 GQKHAFBQBGLGDU-OWCLPIDISA-N 358.442 1.611 0 50 FDAA O=C(c1cc(Cl)ccc1F)N1CCC2(CC1)C[C@@](O)(CO)CCO2 1704343516 DIQBTUFRIVXONC-MRXNPFEDSA-N 357.809 1.988 0 50 FDAA COc1c(F)ccc(C(=O)N2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)c1F 1704280226 WOAIYLLAUDWHIE-QMTHXVAHSA-N 351.353 1.681 0 50 FDAA Cc1cc(C[C@@H]2CN(Cc3cc(=O)n4cc(C)sc4n3)C[C@H]2O)on1 1704301409 YFHPENDYAYKIOQ-IUODEOHRSA-N 360.439 1.396 0 50 FDAA CCCCc1ccc(CN2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)s1 1615736437 XNKVLMIMWSYBNO-CJNGLKHVSA-N 360.545 1.775 0 50 FDAA NC(=O)COc1cccc(C(=O)N2CCC[C@]3(CCc4c[nH]nc43)C2)c1 1775982627 BNWZWUDYBPCAQX-IBGZPJMESA-N 354.410 1.394 0 50 FDAA O=C(Cc1cccc(Cl)c1)N1CCCN(C[C@@H]2COCCO2)CC1 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1.171 0 50 FDAA COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCOC2(CCCC2)C1 218967363 HROJFRAYSGRDSP-UHFFFAOYSA-N 354.428 1.128 0 50 FDAA Nc1nccc(C2CCN(C(=O)c3nc(=O)c4ccccc4[nH]3)CC2)n1 215995790 OTRVMZUOAXAGOV-UHFFFAOYSA-N 350.382 1.315 0 50 FDAA CN(C)C[C@H]1COCCN(c2nc(-c3cccnc3)nc3c2cnn3C)C1 72155994 ULIVDNBKHQGTIX-CQSZACIVSA-N 367.457 1.440 0 50 FDAA CC(C)[C@H]1CN(C(=O)Cn2ncnn2)CCC(=O)N1Cc1ccc(F)cc1 71750989 FUWLZDQVSJJRTH-MRXNPFEDSA-N 374.420 1.098 0 50 FDAA CCN(CC(=O)O)C1CC(NC(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)C1 263512518 ZGJDYFKPSMXRID-UHFFFAOYSA-N 365.478 1.786 0 50 FDAA C[C@H](C(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O)c1ccc(Cl)s1 177675191 XEFIHYQPUZVCIV-QQXLSSBLSA-N 355.847 2.000 0 50 FDAA Cn1nc(-c2ccccn2)cc1NC(=O)Cn1ccc(-c2ncnn2C)n1 48159218 ZRZQEGWPPSGXIN-UHFFFAOYSA-N 363.385 1.113 0 50 FDAA CN1CCC(OCCCNc2cc(C3CC(N)C3)nc(N(C)C)n2)CC1 223130531 DTRWZDPEXKDGBL-UHFFFAOYSA-N 362.522 1.660 0 50 FDAA COc1cc(-c2ccc(C(=O)N[C@H](C)Cc3cc(C)[nH]n3)cc2)nc(N)n1 426387002 BVNFYTPSJCVSBW-LLVKDONJSA-N 366.425 2.127 0 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355.402 1.023 0 50 FDAA COc1cc(OC)c(C(=O)N2CCN(C3CCCC3)C(=O)C2)cc1OC 244794690 QROVAFCPAMOCSZ-UHFFFAOYSA-N 362.426 1.939 0 50 FDAA COCc1nc2cc(-n3cc(C(=O)OC)c4n[nH]c(=O)c-4c3)ccc2[nH]1 252497593 QKORLPMLYZMAGX-UHFFFAOYSA-N 353.338 1.475 0 50 FDAA COc1cccc(N2CCN(CCn3c(O)nc(C)cc3=O)[C@H](C)C2=O)c1 253536638 ZMTIZGVFUBRSFB-CQSZACIVSA-N 372.425 1.003 0 50 FDAA O=S(=O)(N[C@@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1)N1CCCC1 252536026 HMBPQMACABMMMA-UWWQBHOKSA-N 361.467 1.977 0 50 FDAA COCCN1C(=O)N[C@@H]2CN(C(=O)Cc3ccc(F)cc3F)CC[C@@H]21 299744588 PHLDBCPPKFNTAC-CABCVRRESA-N 353.369 1.148 0 50 FDAA O=C(O)[C@@H]1CCN(C(=O)c2ccc(Cn3cc(Br)cn3)o2)C1 299741240 FAYPZPZXHVXAIZ-SECBINFHSA-N 368.187 1.834 0 50 FDAA COc1ccccc1N1C[C@H](C(=O)Nc2cnn3c2NCCC3)CC1=O 1506427210 KQXFNVIFEHPEOU-GFCCVEGCSA-N 355.398 1.699 0 50 FDAA O=C(NC[C@H]1CCCO1)N1CCc2nn(Cc3ccccc3)c(=O)cc2C1 263619038 WPFMHODKOZTKML-QGZVFWFLSA-N 368.437 1.538 0 50 FDAA Cc1cc(N2CCN(C[C@H]3CC(=O)N(c4ccccc4)C3)CC2)nc(N)n1 299771476 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O=C1C[C@H](CNS(=O)(=O)c2c(F)c(F)cc(F)c2F)CN1C1CC1 193824653 PAMXVYCIJFGDGE-SSDOTTSWSA-N 366.336 1.532 0 50 FDAA C[C@@H]1CN(C(=O)CN2CCC(C(=O)N3CCc4ccccc43)CC2)CCO1 194969411 RMFSCSKZBKJTKF-MRXNPFEDSA-N 371.481 1.535 0 50 FDAA CC(C)Sc1nnc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(C)C(=O)[C@@H]24)O3)s1 1506417997 ULCKPYVUQOXBGB-AMDHYVTDSA-N 366.468 1.389 0 50 FDAA COC[C@@H]1CCCN(S(=O)(=O)NCc2nc3ccccc3n2C)C1 1506422240 MTOJTXWRUHWASN-CYBMUJFWSA-N 352.460 1.266 0 50 FDAA Cc1ccn2c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)nnc2n1 1529114626 RCBHFNDDIGNPDE-UHFFFAOYSA-N 351.414 1.437 0 50 FDAA O=C(O)[C@H]1CN(C(=O)CCCN2CCOCC2)C[C@@H]1c1cccc(F)c1 216827413 SVBDVCGTOFDFBJ-SJORKVTESA-N 364.417 1.565 0 50 FDAA Cn1ccnc1CN1CC[C@H]2[C@H](CCC(=O)N2CCc2ccccn2)C1 216869190 NFRSNPHDSYTUNC-AEFFLSMTSA-N 353.470 1.871 0 50 FDAA NCCN1C(=O)CC[C@@H]2CN(Cc3ccc(-c4ccn[nH]4)s3)CC[C@@H]21 217029660 JMWSLLANSMFSIV-CJNGLKHVSA-N 359.499 1.910 0 50 FDAA CCn1ccc(C(=O)N2C[C@H](c3ccccc3OC)[C@@H](C(=O)O)C2)cc1=O 220092451 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366.425 1.864 0 50 FDAA O=C(O)[C@@H]1[C@@H](O)CCCN1C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 911639909 RDFAZMSIMXBUKV-RDJZCZTQSA-N 373.384 1.550 0 50 FDAA CCOC(=O)c1ccc2c(c1)[n+](CCCS(N)(=O)=O)c(C)n2CC 1230811 MLDXVVMGGQNAJU-UHFFFAOYSA-N 354.452 1.112 0 50 FDAA CCCN1CCC[C@]2(CCCN2C(=O)c2cnc3ccccn3c2=O)C1=O 2356138017 FFZWXSJCUSHILR-FQEVSTJZSA-N 368.437 1.702 0 50 FDAA O=C(Nc1nccs1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 2653045 QESOSZSTJLLYEB-UHFFFAOYSA-N 371.415 1.555 0 50 FDAA COCCN1CCC[C@]2(CCCN2C(=O)CCc2cc(Cl)no2)C1=O 2356149590 KTEMCLJYTXLJQD-KRWDZBQOSA-N 369.849 1.891 0 50 FDAA Cc1nnc(CCNC(=O)c2ccc3nnc(-c4cccn4C)n3c2)s1 2356169549 UDYXIDWCXICHND-UHFFFAOYSA-N 367.438 1.867 0 50 FDAA CCOc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1Cl 20661242 HJASJXUEHJCPTK-UHFFFAOYSA-N 362.879 1.739 0 50 FDAA O=C(O)c1cc2c(c(S(=O)(=O)N3CCN4CCC[C@H]4C3)c1)CCC2 248856673 DLEIMWXHZCRUKC-AWEZNQCLSA-N 350.440 1.342 0 50 FDAA CCNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cn2ccnc2C(C)C)n[nH]1 67770831 GMCUHSMUIRNUSR-HNNXBMFYSA-N 358.446 1.519 0 50 FDAA O=S(=O)(CC1CC1)c1ncc(CN2CCOCC2)n1C[C@H]1CCCO1 20211622 QJUWUIHCJGUCNP-MRXNPFEDSA-N 369.487 1.078 0 50 FDAA Cc1ccc(S(=O)(=O)N2CCC(n3cc(CCO)nn3)CC2)s1 63870575 ABJZUEATSYVEDQ-UHFFFAOYSA-N 356.473 1.209 0 50 FDAA C[C@H](C(=O)NC(N)=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 229668429 SCNZJSSPPKKTJJ-BXKDBHETSA-N 356.220 1.406 0 50 FDAA CN(C)Cc1nnc([C@H]2CCCN(C(=O)c3ncc(F)cc3F)C2)n1C 72424750 GRVOHOUUSPHVGT-NSHDSACASA-N 364.400 1.570 0 50 FDAA CN(Cc1ccccc1)Cc1cc(C(=O)NCCN2CCNC2=O)no1 67754386 SZMMQLMPUWTLJF-UHFFFAOYSA-N 357.414 1.062 0 50 FDAA CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cccc(NCc2cccnc2)c1C 67855620 JKEWMCPJQNICAX-QAPCUYQASA-N 367.453 1.290 0 50 FDAA CCN(Cc1noc(C)n1)C(=O)c1ccc2c(c1)nc(NCCOC)n2C 219952490 VEDFQYRLQIPTFM-UHFFFAOYSA-N 372.429 1.985 0 50 FDAA COc1ccc(CN2CCN(C(=O)C[C@@H](C)n3cccn3)CC2=O)cc1 77538826 XWSPBOIWRFSHAI-OAHLLOKOSA-N 356.426 1.714 0 50 FDAA CCCCc1nn(CC(=O)N2CC[C@H](n3nc(C)cc3C)C2)c(=O)n1CC 77503575 PASKCEKAFTZTNV-INIZCTEOSA-N 374.489 1.694 0 50 FDAA Cc1c(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]cn3)C2)cnn1C 72475711 KMRQCYKOHGHNNP-MAUKXSAKSA-N 356.474 1.507 0 50 FDAA CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)c1ccccc1-c1nnn[nH]1 72421382 BLDORJVEPKLVAT-INIZCTEOSA-N 362.437 1.995 0 50 FDAA CCn1cnnc1CN(C)Cc1cc2n(n1)CCCN(c1ccncc1)C2 72474276 OTVSGISIXOXQDM-UHFFFAOYSA-N 366.473 1.932 0 50 FDAA COCCN1CCN(C(=O)NCc2cccc(-c3cccnc3)c2)CC1=O 363821239 LZURULQHFTZGAT-UHFFFAOYSA-N 368.437 1.749 0 50 FDAA C[C@H]1CC[C@@H](C(=O)O)N1S(=O)(=O)c1ccc(N2CCCC2=O)cc1 284083680 VEUVBVWSGSYXGX-FZMZJTMJSA-N 352.412 1.440 0 50 FDAA Cc1c(C(N)=O)sc(NC(=O)CN2CCCC2)c1C(=O)OC(C)C 17073193 IVEDEGRPPVQGOA-UHFFFAOYSA-N 353.444 1.755 0 50 FDAA CN1CCN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C[C@H]1c1nccn1C 369520881 RHXDYDPOYXVOFV-HNNXBMFYSA-N 351.414 1.334 0 50 FDAA CCc1cn[nH]c1C1CCN(C(=O)c2cnc3ccccn3c2=O)CC1 77377740 ZAHFTDKVTLMNLN-UHFFFAOYSA-N 351.410 2.000 0 50 FDAA CC(C)n1cc([C@]2(O)CCCN(C(=O)c3cc(N(C)C)ccn3)C2)nn1 284776423 XVPGUBBIOPVWFR-SFHVURJKSA-N 358.446 1.444 0 50 FDAA CN(C)CC(C)(C)CNc1ncc(S(C)(=O)=O)c([C@H]2CCCNC2)n1 72473089 HACYWAFXNOVIKI-ZDUSSCGKSA-N 369.535 1.347 0 50 FDAA Cc1cc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(CCC(C)C)C(=O)[C@@H]24)O3)n[nH]1 77385928 RTQUSRDXUNELAA-XLSPSMHOSA-N 372.469 1.505 0 50 FDAA Cn1ncc(N2CCO[C@@H](CCNc3nc4ccccc4o3)C2)cc1=O 77523377 OJGIJEQGCWIICV-AWEZNQCLSA-N 355.398 1.629 0 50 FDAA COCCNS(=O)(=O)c1ccc2c(c1)CCN(C(=O)NC(C)(C)C)C2 77390966 ACBRUPTVQVQQIJ-UHFFFAOYSA-N 369.487 1.478 0 50 FDAA CCn1c(N)nc2cc(C(=O)NCc3n[nH]c4c3CCCCC4)cnc21 77456868 FOTHEQVBSBWRGW-UHFFFAOYSA-N 353.430 1.955 0 50 FDAA Cc1nccc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)n1 174673547 WXWAMLMCFYXEKN-UHFFFAOYSA-N 354.382 1.574 0 50 FDAA Cc1cnn([C@H](C)C(=O)N2CCc3c(nc(N(C)C)nc3N(C)C)C2)c1 71767645 CEEWWRUFVWRZFU-CYBMUJFWSA-N 357.462 1.259 0 50 FDAA CN1C[C@]2(CCCN(C(=O)c3cnc(-c4cccnc4)nc3)C2)OC1=O 72129369 XZMRRIZXCKUTBU-SFHVURJKSA-N 353.382 1.595 0 50 FDAA CCN(CCn1cccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(C)(C)C)C(=O)[C@H]13)O2 77437906 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O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)CCCn1cncn1 247940545 PIKRPPFZYQFLHV-AEFFLSMTSA-N 367.453 1.822 0 50 FDAA CCOc1ccccc1C(=O)NCC(=O)N1CCCC[C@@H]1c1nc[nH]n1 155562363 KXEAEEVDZDZXII-CQSZACIVSA-N 357.414 1.687 0 50 FDAA O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1C[C@H]2COCC[C@@]2(C(=O)O)C1 262350846 HHKZRYHCCXAQDZ-KPZWWZAWSA-N 359.357 1.779 0 50 FDAA Cc1ccc(S(=O)(=O)N2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)c(F)c1 1704339897 ZBJWVHWIHYTBGR-JKSUJKDBSA-N 373.446 1.190 0 50 FDAA CCOc1ccc2nc(O)c(CN3CCO[C@@H](c4nnn(C)n4)C3)cc2c1 2100543833 ZCNJAZUUYCHCHY-MRXNPFEDSA-N 370.413 1.436 0 50 FDAA O=C(NS(=O)(=O)Cc1noc(C2CC2)n1)C1Cc2cscc2C1 2325821718 UNGHZTKCKPXBLR-UHFFFAOYSA-N 353.425 1.370 0 50 FDAA N[C@@H]1CCc2nc(C(=O)NCCn3c(O)nc4cc(Cl)ccc43)cn2C1 2325859724 IOKOZESQTHTCIR-LLVKDONJSA-N 374.832 1.295 0 50 FDAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)C1 2325888519 ACNBEKFKWOOPRE-GFCCVEGCSA-N 358.377 1.473 0 50 FDAA C=CC(=O)Nc1cccc(C(=O)N2CCC(c3nnc(O)n3C)CC2)c1 2325888957 XVZIXGDYIXNIJY-UHFFFAOYSA-N 355.398 1.665 0 50 FDAA CS(=O)(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 779566 IJJCSWIBXUEMJD-UHFFFAOYSA-N 358.463 1.922 0 50 FDAA O=C1[C@H]2CC[C@H](CN(Cc3cccc4ncnn34)C2)N1Cc1cscn1 2356138768 PZHXLVXGQNFYCL-DZGCQCFKSA-N 368.466 1.809 0 50 FDAA CCOC(=O)C(CCCSc1ncnc2nc[nH]c12)C(=O)OCC 6693707 VNLKMTCRYMYXSR-UHFFFAOYSA-N 352.416 1.968 0 50 FDAA CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 6702795 KNIALJMSKXFSKE-DZGCQCFKSA-N 370.471 1.436 0 50 FDAA CCn1c(=O)c2c(nc3n(-c4ccccc4O)c(C)c(C)n23)n(C)c1=O 10233679 IJEAEDNJBJCMGL-UHFFFAOYSA-N 353.382 1.481 0 50 FDAA NCc1cn(C[C@H]2CCCN(C(=O)NCCc3ccc(F)cc3)C2)nn1 23368704 RBJWQMZVYLUTCV-HNNXBMFYSA-N 360.437 1.540 0 50 FDAA COc1ccc(CN2CCN(Cc3cnn(C)c3)C[C@@H]2CCO)c(F)c1 20918270 UIGVTHDHAQCPGB-KRWDZBQOSA-N 362.449 1.637 0 50 FDAA Nc1ncc(Cl)cc1S(=O)(=O)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 249194413 BGKHNSMMRWALCV-CMPLNLGQSA-N 373.887 1.775 0 50 FDAA CNC(=O)c1c(NC(=O)[C@@H]2C[C@@H](C)NC(=S)N2)sc2c1CCCC2 63845834 QUDJGDDVXYWVNA-SCZZXKLOSA-N 366.512 1.550 0 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369.377 1.342 0 50 FDAA COc1ccc(SCCNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 72437347 KJZYMVQLNSBONP-CYBMUJFWSA-N 372.512 1.575 0 50 FDAA O=C(c1cc(-n2cccc2)ccc1O)N1CCO[C@]2(CNCCOC2)C1 72150169 BJRUZZYWUKUOEJ-LJQANCHMSA-N 357.410 1.014 0 50 FDAA Cc1nc2ccc(N(C)C(=O)C3CCN(S(N)(=O)=O)CC3)cc2s1 176622050 BWQUBLHTGCOATH-UHFFFAOYSA-N 368.484 1.483 0 50 FDAA NC(=O)[C@H]1CCCN(Cc2cc3n(n2)CCCN(C(=O)N2CCCC2)C3)C1 72476829 FBPGFCQCAZXLCA-HNNXBMFYSA-N 374.489 1.002 0 50 FDAA CCN1C(=O)NC(=O)C12CCN(C(=O)[C@@H]1COc3ccccc3C1)CC2 82127844 OCCLDRJUIKUVQT-AWEZNQCLSA-N 357.410 1.171 0 50 FDAA CN(Cc1nc(-c2cccnc2)no1)C(=O)[C@H]1COc2ccccc2O1 82160297 ULRHXJWXVJTZMW-OAHLLOKOSA-N 352.350 1.930 0 50 FDAA Cc1nn2cc(CNC(=O)Cc3ccc(S(C)(=O)=O)cc3)nc2s1 223365044 JASWJUMXNYFLAN-UHFFFAOYSA-N 364.452 1.362 0 50 FDAA Cc1ncc(C(=O)NCc2cc3n(n2)CCCN(C(=O)N(C)C)C3)s1 82086875 AYRMEDBZJLMWME-UHFFFAOYSA-N 362.459 1.465 0 50 FDAA COc1ccccc1N1C[C@H](C(=O)NCCc2nnc(C)s2)CC1=O 221233465 JOEGISIARCVFHG-GFCCVEGCSA-N 360.439 1.567 0 50 FDAA 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Cn1nc(-c2nc(-c3ccc(C(N)=O)cc3)nn2CCCO)cc1C1CC1 1857700832 IKFGAMWWINCJGR-UHFFFAOYSA-N 366.425 1.704 0 50 FDAA CCOCc1nnc(N2C[C@@H](C(=O)N3CCC4(CC4)C3)CC2=O)s1 1857715079 AHKWSLNDEIDKEF-NSHDSACASA-N 350.444 1.440 0 50 FDAA Cc1onc(-c2ccccc2)c1C(=O)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857716848 HGQVKKVIMHTTHS-KUHUBIRLSA-N 353.378 1.823 0 50 FDAA CNC(=O)c1ccc(S(=O)(=O)N(C)Cc2cn3c(n2)CCCC3)cc1 328645516 ZSZNPJRPPMLISF-UHFFFAOYSA-N 362.455 1.400 0 50 FDAA C[C@](CO)(CNC(=O)c1ccccc1OCC(N)=O)Cc1ccccc1 242147496 WSGTXWWLYAOBQY-HXUWFJFHSA-N 356.422 1.522 0 50 FDAA COc1cccc2c1OC[C@@]1(C(=O)O)CN(C(=O)c3cccnc3O)C[C@@H]21 248263067 XOQFGOCAJAHONK-DJJJIMSYSA-N 370.361 1.499 0 50 FDAA COc1ccc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)cc1OC 265322716 VFUAOEPUXYYJCQ-KSSFIOAISA-N 372.425 1.986 0 50 FDAA Cc1ccc(S(=O)(=O)N2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)cc1F 1704298437 FRUUNEWJAKXVLV-JKSUJKDBSA-N 373.446 1.190 0 50 FDAA CCc1nnc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)s1 1069443 YEMHMGSEQZMUEP-LBPRGKRZSA-N 366.468 1.892 0 50 FDAA Cc1cc2c(cc1S(=O)(=O)N1CCOc3ccccc31)NC(=O)CO2 6667870 NYEZUPDYPDQCNC-UHFFFAOYSA-N 360.391 1.914 0 50 FDAA O=C(CCc1ccc(O)cc1)N[C@@H]1C[C@@H](C(=O)N2CCCCC2)CC[C@H]1O 2100557201 YGBIBGSALHIAQW-QXAKKESOSA-N 374.481 1.983 0 50 FDAA COc1ccc([C@H]2C[C@@H](NC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C2)cc1 2325782916 MOWXRRSINMCSDS-SOUVJXGZSA-N 354.410 1.834 0 50 FDAA CN(Cc1nc2c(n1C)CCCC2)S(=O)(=O)C[C@H]1CC(C)(C)CO1 2325782946 PDAKFOJBXYBCHV-CYBMUJFWSA-N 355.504 1.876 0 50 FDAA Cc1ccc(C(=O)N2CCN(C(=O)CCCC(N)=O)CC2)cc1Cl 2325868236 TWWBWEWFYVLKQZ-UHFFFAOYSA-N 351.834 1.588 0 50 FDAA O=C(CCn1cnnc1)N1CCC[C@]12CCCN(Cc1ccccc1)C2=O 2356141488 DPEOVXZSFPEKEQ-FQEVSTJZSA-N 367.453 1.852 0 50 FDAA O=C(CCNS(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1 6704484 OHNAHFDSFXOCBU-UHFFFAOYSA-N 373.478 1.704 0 50 FDAA O=C(CCn1ccc(=O)[nH]c1=O)N(Cc1ccsc1)C[C@H]1CCCO1 55357862 CROIGZYVSUVPOA-CQSZACIVSA-N 363.439 1.196 0 50 FDAA Cc1cc2[nH]cc(C(=O)N3CCCC[C@@H]3CCN3CCCC3=O)c(=O)n2n1 101957867 FSNGWNKNFWQZOY-CQSZACIVSA-N 371.441 1.338 0 50 FDAA O=C(O)CCCN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 116343709 WKYCXDUTUZMSJD-UHFFFAOYSA-N 352.456 1.346 0 50 FDAA CC(C)OCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1 55133027 LBYUEIKKDPPFLS-MRXNPFEDSA-N 369.412 1.197 0 50 FDAA C[C@@H](c1ccccc1)N(C)Cc1cn(C2CCN(C(=O)CN)CC2)nn1 23429090 VNVNTPBHLGQMOW-HNNXBMFYSA-N 356.474 1.593 0 50 FDAA COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)NC2CC2)CC1 10302774 SSWDYFWWBQOCEJ-UHFFFAOYSA-N 356.419 1.514 0 50 FDAA CC[C@H]1C(=O)N(C)CCN1C(=O)c1cc(CN(C)Cc2ccccc2)on1 67774104 DHDINXREDJNKHZ-SFHVURJKSA-N 370.453 1.999 0 50 FDAA CCN1Cc2ccccc2C[C@@H]1C(=O)N1CCC(n2cc(CO)nn2)CC1 23380033 OIOBPLGJIAUVJL-LJQANCHMSA-N 369.469 1.381 0 50 FDAA C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)C1 252536613 IYQCEXZVOKGQKM-TYNCELHUSA-N 365.861 1.818 0 50 FDAA CC(=O)NC[C@H]1CCCN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C1 67975236 IHMQWRPFCPFNJT-CYBMUJFWSA-N 357.410 1.605 0 50 FDAA COCCN1C(=O)C[C@@H](CNC2C[C@@H](C)O[C@H](C)C2)[C@@H]1c1cnn(C)c1 328631659 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CC[C@@H](O)Cn1nc(CCOC)nc1-c1ccc(-c2nnn(C)n2)cc1 96151275 IJMXIJNOBPEURD-CQSZACIVSA-N 357.418 1.095 0 50 FDAA CNc1nc(C(=O)N2C[C@H](CO)[C@H](CN3CCCCCC3)C2)cs1 91445173 VQKNDXRJNORHKD-ZIAGYGMSSA-N 352.504 1.741 0 50 FDAA O=C(O)Cn1nccc1[C@@H]1CCCN(Cc2cc(=O)n3ccccc3n2)C1 426421784 IJWBNSZODSQKJN-CQSZACIVSA-N 367.409 1.355 0 50 FDAA CCc1ccc(C(=O)N[C@@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)[nH]1 426555768 AXXHAAGUZYELOL-PWOUQQLPSA-N 364.493 1.875 0 50 FDAA Cc1ncsc1CN1C[C@H]2CN(C(=O)C3CCCC3)C[C@@]2(C(=O)O)C1 96133538 GQSHUAQVAQSPMM-KSSFIOAISA-N 363.483 1.987 0 50 FDAA COc1ccc(C(=O)N2CCN(c3cc(OC(C)C)nc(N)n3)CC2)cc1 95352256 DXFHCYSYYFODIV-UHFFFAOYSA-N 371.441 1.817 0 50 FDAA Cc1cc(=O)c(C(=O)N2C[C@H]3COc4ccccc4C[C@@]3(C(=O)O)C2)c[nH]1 95529736 WUPAXIOLHLAJGL-VBKZILBWSA-N 368.389 1.461 0 50 FDAA CN1C(=O)C[C@H](C(=O)O)C12CCN(C(=O)c1cc3ccccc3[nH]1)CC2 95379332 GAJJKNJOEJYVFW-CYBMUJFWSA-N 355.394 1.706 0 50 FDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cc[nH]c1C)CC2 91893877 WKAUUNOUULVNQR-UHFFFAOYSA-N 371.441 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363.414 1.095 0 50 FDAA NC(=O)c1cccnc1N1CCN(Cc2cc(-c3ccncc3)no2)CC1 252488232 INZSWPHVMBRDNZ-UHFFFAOYSA-N 364.409 1.553 0 50 FDAA C[C@@H](CN1CCOCC1)NC(=O)N(CCO)Cc1ccccc1Cl 534670106 OFASQDJZYMCZQX-AWEZNQCLSA-N 355.866 1.565 0 50 FDAA O=C(N1CC[C@@H]2OCc3cnnn3[C@H]2C1)C1(c2ccccc2)CCNCC1 299778635 PXYWOJKGINDJGI-ROUUACIJSA-N 367.453 1.272 0 50 FDAA O=C(c1cc(-c2ccccc2F)n[nH]1)N1CCO[C@]2(CNCCOC2)C1 72162875 DNVJWPXAXPVRIQ-GOSISDBHSA-N 360.389 1.047 0 50 FDAA Cc1ccc(CN2CCC(CNC(=O)CN3CCCN(C)CC3)CC2)o1 299770010 OEFDOCIOAUVWAZ-UHFFFAOYSA-N 362.518 1.554 0 50 FDAA Cc1nc2c(c(N(C)C)n1)CCN(C(=O)c1cc(=O)nc3sccn13)C2 299791593 DLJVBTKIJVEBDP-UHFFFAOYSA-N 370.438 1.119 0 50 FDAA OC1CN(c2nc(NCc3cc(C4CC4)[nH]n3)cc([C@@H]3CCOC3)n2)C1 299796608 NTIMJVUAUWELDA-GFCCVEGCSA-N 356.430 1.374 0 50 FDAA COc1ccc(N2C[C@H](NC(=O)CCc3n[nH]c(C)c3C)CC2=O)cc1 299769050 INRPHSNGDKWJRU-CQSZACIVSA-N 356.426 1.889 0 50 FDAA CCn1c(-n2nc(CC(N)=O)nc2CN2CCCC2)nc2ccccc21 670441776 YGOFHFBRMWUKMW-UHFFFAOYSA-N 353.430 1.261 0 50 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351.472 1.465 0 50 FDAA O=C(Cn1cc2ccccc2n1)N1CCCN(C(=O)c2cc[nH]n2)CC1 1772701767 BHBNVOOZVHDDLZ-UHFFFAOYSA-N 352.398 1.134 0 50 FDAA COCCN(C)CC(=O)N1CCCN(C(=O)C2CCCCCC2)CC1 1772701160 IMRBKEAFHICPMU-UHFFFAOYSA-N 353.507 1.596 0 50 FDAA COCCCn1c(CN(C)CC[C@@H]2CCCCO2)cnc1S(C)(=O)=O 11935922 MXLKTYKIFDQIEQ-INIZCTEOSA-N 373.519 1.714 0 50 FDAA CCc1cnc(CN[C@@H]2CCN(c3nc(C(=O)NC)nc(C)c3C)C2)[nH]1 1857528654 BYKVDBIGXAAGDG-CQSZACIVSA-N 357.462 1.107 0 50 FDAA CCOC(=O)c1cnc(SC)nc1N1CCN2C(=O)OC[C@@]2(CC)C1 1857675602 AUMVWFJHVMFXHQ-MRXNPFEDSA-N 366.443 1.796 0 50 FDAA CCCc1nnc(N2C[C@H](C(=O)N(C)Cc3ncc(C)[nH]3)CC2=O)s1 1857698034 SQIVCRCGGTWDAU-LLVKDONJSA-N 362.459 1.534 0 50 FDAA Cc1cc(C)n(CC(=O)N2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)n1 1857702553 NQOBTZMEQHFWLK-FQEVSTJZSA-N 368.437 1.776 0 50 FDAA O=C(CCn1ccccc1=O)N1CC[C@@H](O)[C@@](CO)(Cc2ccccc2)C1 1857711978 BHEYGYHNUKQSMG-NQIIRXRSSA-N 370.449 1.053 0 50 FDAA O=C(NCc1ccccc1-n1cccn1)[C@@H]1CC(=O)N(c2nccs2)C1 1857737943 KHMSZFFCQGYTRJ-CQSZACIVSA-N 367.434 1.998 0 50 FDAA Cc1occc1C(=O)NC[C@H]1[C@H]2CN(c3ncc(F)cn3)C[C@]23CC[C@H]1O3 1857738726 VSYKHBYYRZZYRZ-WFXMFSGNSA-N 372.400 1.931 0 50 FDAA Cn1nnc2cc(C(=O)N3CCNC[C@H]3c3cccc(Cl)c3)cnc21 423601069 BNIYWNJCDVHACB-HNNXBMFYSA-N 356.817 1.803 0 50 FDAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1nc3ccccc3n(C)c1=O)C2 212009401 MBAPKSOOEFEODD-KGLIPLIRSA-N 368.437 1.407 0 50 FDAA O=C(N[C@H]1CCN(C(=O)CCCc2ccccc2)C[C@@H]1O)c1ccncc1 212976320 QGALHLOFALJKRY-OALUTQOASA-N 367.449 1.796 0 50 FDAA CCN1CCC[C@@H](CN(C)[C@H](C)CN2CCOCC2)[C@@H]1c1cnn(C)c1 328655359 YFVWTPJMCVOBOD-WSTZPKSXSA-N 363.550 1.846 0 50 FDAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCc2cscn2)cc1 14976829 ZLUVCXVKENILQP-KRWDZBQOSA-N 372.494 1.501 0 50 FDAA CC(C)Cc1nc(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cs1 163391995 VGONJTBAAAHFGX-RYUDHWBXSA-N 359.517 1.789 0 50 FDAA Cn1ccnc1CN(C(=O)[C@H]1CSCCS1)[C@@H]1CC12CCNCC2 821798373 ARRQPRWLFUUXNJ-ZIAGYGMSSA-N 366.556 1.739 0 50 FDAA Cn1cc([C@@H]2CN(C(=O)[C@H]3CCN(Cc4ccccc4)C3=O)CCO2)cn1 934317541 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O=S1(=O)C[C@@H]2[C@H](C1)N(CC1CC1)CCN2CCc1cccc(F)c1 247298525 DHPFRJRICQJYMF-MSOLQXFVSA-N 352.475 1.561 0 50 FDAA Cc1nn(CC(=O)N2CC[C@H](N3CCOCC3)C2)cc1-c1ccccc1 365461998 PRXNJIHANKFYCH-SFHVURJKSA-N 354.454 1.792 0 50 FDAA Cc1ccc(CNS(=O)(=O)c2c(N)noc2C)c(N2CCCC2)n1 809833074 XAEKWVRWGJGWJC-UHFFFAOYSA-N 351.432 1.347 0 50 FDAA CCN(CC)[C@@H]1CCN(C(=O)NCC2CCC(S(C)(=O)=O)CC2)C1 924276462 XLPCWLWLIDDKNR-HWOWSKLDSA-N 359.536 1.716 0 50 FDAA Cc1cc(C(=O)N(C[C@@H]2CCC(=O)N2)C(C)C)c(C)n1-c1ccn(C)n1 857722651 PLBLODDHNFBQQM-HNNXBMFYSA-N 357.458 1.957 0 50 FDAA C[C@@H]1Oc2ccc(S(=O)(=O)N3CC(=O)Nc4ccccc43)cc2NC1=O 12417034 CMRZECZHFUOFEW-JTQLQIEISA-N 373.390 1.553 0 50 FDAA O=C(NCCn1nc(-c2ccccc2)ccc1=O)c1cccc2ncnn12 2100480403 IZMYNGPXTKXJIS-UHFFFAOYSA-N 360.377 1.383 0 50 FDAA COc1ncc(C)cc1S(=O)(=O)N1CC[C@@](C(=O)O)(C(F)F)C1 2325776830 CQWNOWRJIVDWOZ-ZDUSSCGKSA-N 350.343 1.129 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1cc(-n2ccnn2)ccc1F 2325786146 GCGJTHPWJSEARW-CSMYWGQOSA-N 370.388 1.172 0 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FDAA CC(=O)c1c(C)nn(CC(=O)NCCCc2nnc3ccccn23)c1C 223131517 KDYDVMKQHFAOHO-UHFFFAOYSA-N 354.414 1.494 0 50 FDAA Cn1cnc(-c2ccc(C(=O)N[C@@H]3CCC(=O)N[C@H]3C(C)(C)C)cc2)n1 286392660 BQNBHYNKCOCGHT-GDBMZVCRSA-N 355.442 1.905 0 50 FDAA CCNS(=O)(=O)c1ccc(NC(=S)NCc2ccncc2)cc1 17072755 BMFWQPNZPJAJKY-UHFFFAOYSA-N 350.469 1.866 0 50 FDAA Cc1nc2ccc(C(=O)N[C@@H]3CCOC[C@H]3OCC(=O)O)cc2nc1C 222903759 RAAAAXUYIXYLSR-GDBMZVCRSA-N 359.382 1.235 0 50 FDAA Cc1noc(C)c1S(=O)(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1 220413584 SDWIASKXOJIPQY-CHWSQXEVSA-N 353.400 1.201 0 50 FDAA Cc1cc(C)cc(N2CCN(C(=O)N[C@@H](C)Cn3cccn3)CC2=O)c1 426442857 HTKHSJHTTKRZCR-INIZCTEOSA-N 355.442 1.947 0 50 FDAA Nc1ccsc1C(=O)N[C@H]1C[C@@H](c2cc(N3CC[C@H](O)C3)ncn2)C1 220703941 DRZWHXQHIORFSF-SRVKXCTJSA-N 359.455 1.367 0 50 FDAA Cn1cnnc1CC1CCN(C(=O)CCc2[nH]nc3c2CCCC3)CC1 82097026 ZSHZLECMGQFUSP-UHFFFAOYSA-N 356.474 1.831 0 50 FDAA Cc1nc(CN2CCC[C@@H](c3nnc(CN4CCC(O)CC4)n3C)C2)co1 426555807 DQNISLOFSXLCRO-OAHLLOKOSA-N 374.489 1.448 0 50 FDAA 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1.754 0 50 FDAA CC[C@H](C)Nc1nc2c(c(=O)[nH]c(=O)n2C)n1CCOc1ccccc1 1298605 AUXOPXDJSQZIPE-LBPRGKRZSA-N 357.414 1.713 0 50 FDAA COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NC2CC2)C1 2876769 JYMIAKKMLHRIHG-ZDUSSCGKSA-N 352.456 1.683 0 50 FDAA CN(C)[C@@H]1CN(C(=O)c2cccc(N3CCCC3)c2)C[C@@H]1n1ccnn1 862936078 CBTXQPCKNXIREJ-MSOLQXFVSA-N 354.458 1.506 0 50 FDAA COc1ccc(N2C[C@@H](C(=O)NCCCn3ccnc3)CC2=O)c(OC)c1 7343791 KSMLKEVNBPQIJS-AWEZNQCLSA-N 372.425 1.460 0 50 FDAA CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2O 8234271 DFBIRQPKNDILPW-CIVMWXNOSA-N 360.406 1.103 0 50 FDAA biogenic,investigational O=C1C[C@H](c2ccccc2)N(S(=O)(=O)c2c[nH]c3ncccc23)CCN1 114737251 RJVMJBRFKKTXAO-OAHLLOKOSA-N 370.434 1.815 0 50 FDAA COc1cccc(-c2noc(CCCC(=O)NCCc3nncn3C)n2)c1 55119998 TWSQBPKRRMNECH-UHFFFAOYSA-N 370.413 1.555 0 50 FDAA Cc1ccc(CN(C)C(=O)[C@H]2CCC(=O)N(CCN3CCOCC3)C2)o1 20912873 YANGEZQOHPNAEV-INIZCTEOSA-N 363.458 1.117 0 50 FDAA COc1ccccc1OC[C@@H](C)NC(=O)CSc1nnc(N)s1 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Cc1cccnc1CNc1ncc(C(C)(C)C(=O)O)c(N2CCOCC2)n1 96163551 JZPYLAMKHVMFOZ-UHFFFAOYSA-N 371.441 1.991 0 50 FDAA CCN1CCN(CC(=O)N2CC[C@H](c3cccc(Cl)c3)C2)C(=O)C1=O 95526938 SUZKBOAWDRQEKX-AWEZNQCLSA-N 363.845 1.347 0 50 FDAA CN1C[C@H]2CN(S(=O)(=O)Cc3ccccc3Cl)C[C@@]2(C(=O)O)C1 96162576 FYDVHRWHWMNJEZ-WFASDCNBSA-N 358.847 1.118 0 50 FDAA Cc1csc(N2C(=O)N[C@@H](CC(=O)NCCc3ccccn3)C2=O)n1 334161363 ZCNCXSLJRIHALE-LBPRGKRZSA-N 359.411 1.020 0 50 FDAA COC[C@H]1CCN(C(=O)c2ccc3c(c2)nc(N2CCOCC2)n3C)C1 95377081 BFOWTBRGUJYNJO-AWEZNQCLSA-N 358.442 1.518 0 50 FDAA Cc1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c(=O)n(-c2ccccc2)n1C 238881535 AQNVIXFHOBUMTK-DARAHFNDSA-N 367.405 1.946 0 50 FDAA COc1cccc([C@@H]2CN(C(=O)CCn3cccn3)C[C@H]2C(=O)O)c1OC 92081994 CKAGGUYNZPVLDG-LSDHHAIUSA-N 373.409 1.617 0 50 FDAA O=C(NCc1nc(-c2cccnc2)no1)[C@H](c1cccnc1)N1CCCC1 95377870 VUDWUJMITXQJCY-KRWDZBQOSA-N 364.409 1.980 0 50 FDAA O=C(Cn1ncn2cccc2c1=O)N1CCOc2ccc(Cl)cc2C1 95496644 SZZDUVAJOXNOPD-UHFFFAOYSA-N 358.785 1.571 0 50 FDAA CN1CCc2[nH]cnc2C12CCN(c1nnnn1-c1ccccc1)CC2 95519349 QGMSLGOHNWDNHN-UHFFFAOYSA-N 350.430 1.369 0 50 FDAA Cc1nc[nH]c1CSCCNC(=O)Cn1cnc2ccccc2c1=O 91460056 QNTXKLZCYFZEGE-UHFFFAOYSA-N 357.439 1.478 0 50 FDAA Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1C 95393628 VHYGXZWFTGHUDV-HZPDHXFCSA-N 355.390 1.981 0 50 FDAA NC(=O)[C@H]1CCCN(CCNC(=O)Nc2ccnn2-c2ccccc2)C1 96149558 OJIJKDPEWNAOQV-AWEZNQCLSA-N 356.430 1.191 0 50 FDAA COCCN1CC[C@H](C(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)C1 97742815 KKPAKCQQXIWMLR-SFHVURJKSA-N 373.497 1.684 0 50 FDAA O=C(NCc1ccc2c(c1)OCO2)c1cnc(-c2cccnc2)nc1O 91547938 CULQIUUBWBTPKJ-UHFFFAOYSA-N 350.334 1.903 0 50 FDAA CC(=O)N[C@@H]1CN(C(=O)C2CCN(C(C)=O)CC2)C[C@H]1c1ccc(C)cc1 95496845 AUIJPBNHOZMDKU-VQTJNVASSA-N 371.481 1.684 0 50 FDAA O=C(c1nc2ccccn2c1F)N1CCN(Cc2ccccc2)C[C@@H](O)C1 95502240 SHQPLEMRWZANEO-MRXNPFEDSA-N 368.412 1.792 0 50 FDAA Cn1c(CO)nnc1[C@H]1CCCN(C(=O)CC2Cc3ccccc3C2)C1 244691861 JKIAJFTVSBQDMU-KRWDZBQOSA-N 354.454 1.819 0 50 FDAA O=Cc1cccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1 252498435 RBZMBTPTPMGWQL-UHFFFAOYSA-N 371.397 1.150 0 50 FDAA NC(=O)c1nc(CNC(=O)CC2CCN(Cc3ccccc3)CC2)no1 252488579 IUYLHLMEXXSKQU-UHFFFAOYSA-N 357.414 1.087 0 50 FDAA Cn1cc([C@@H](CC(N)=O)c2oc(CN3CCCCC3)cc(=O)c2O)cn1 252508794 XTNKEKVUGLPBGR-CQSZACIVSA-N 360.414 1.072 0 50 FDAA CC(C)c1ccc(C(=O)N2CCN(Cc3nccn3C)CC2)c(=O)n1C 299760810 XINVBTPMNALEMS-UHFFFAOYSA-N 357.458 1.200 0 50 FDAA O=C(N[C@H]1COC[C@@H]1N1CCCCC1)c1cccc(Cn2cccn2)c1 299766858 SZUNLEKAVBUPGR-OALUTQOASA-N 354.454 1.915 0 50 FDAA CNC(=O)c1cc(S(=O)(=O)N2CC[C@H](N3CCCCC3)C2)cs1 823836847 JUTTVDDROOAWKD-LBPRGKRZSA-N 357.501 1.357 0 50 FDAA O=C(O)[C@H]1CCCN(S(=O)(=O)NCc2ccccc2-n2ccnc2)C1 670473375 PVTLYXCYEWAMAN-AWEZNQCLSA-N 364.427 1.003 0 50 FDAA Cc1nn(C)cc1S(=O)(=O)N1CCCN(C(=O)c2ccccc2)CC1 672376384 OKKALOXIXQFVCK-UHFFFAOYSA-N 362.455 1.265 0 50 FDAA NCc1cn(-c2cccc(CNC(=O)N[C@@H]3CCN4CCC[C@@H]4C3)c2)nn1 1875320538 SYPIBVGSNUHTAQ-NVXWUHKLSA-N 369.473 1.152 0 50 FDAA CN(C)C(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)CCCC1CCCC1)C2 1875395622 GYKAEQFCHRNDEY-OAHLLOKOSA-N 370.515 1.451 0 50 FDAA C=CC(=O)N1CCC(C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)CC1 1875365701 PZEQYSWGYYLABD-UHFFFAOYSA-N 369.421 1.699 0 50 FDAA O=C(NC[C@]12CCC[C@H]1CN(c1ccc3nnnn3n1)C2)C1(F)CCCC1 1875313207 ZBMBDSUADVEAKJ-GUYCJALGSA-N 373.436 1.524 0 50 FDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cccn3C3CC3)C2)n1 1875397166 OGRZPWNUSRUDOA-OAHLLOKOSA-N 368.485 1.958 0 50 FDAA Cn1cccc1C(=O)NC[C@@H]1CC2(CC2)CN1C(=O)CN1C[C@@H]2C[C@H]2C1 1875406756 LGIXNBJMRMNLCU-JYJNAYRXSA-N 356.470 1.088 0 50 FDAA Cc1ncc(F)c(N[C@H]2C[C@@H](NC(=O)c3coc4c3C(=O)NCC4)C2)n1 1875405460 GRPAMUDMYLCTFL-AOOOYVTPSA-N 359.361 1.176 0 50 FDAA O=C(N[C@@H]1CN(c2ncc3c(n2)COC3)CC2(CCC2)C1)[C@H]1CCOC1 1875408502 YCMPLOZDJCRTKO-ZFWWWQNUSA-N 358.442 1.409 0 50 FDAA CNc1ccc(C(=O)N2C[C@H](c3n[nH]c(COC)n3)[C@@H](C3CC3)C2)cn1 952849099 XPWLEHYYLDYIFB-KGLIPLIRSA-N 356.430 1.654 0 50 FDAA O=C(N=c1cc2n([nH]1)CCC2)C(=O)NCCOc1c(F)cccc1Cl 1875288821 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CC[C@H](NC(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2)c1ccncc1 277437942 OBBPRSKIXIBKRJ-YOEHRIQHSA-N 355.442 1.858 0 50 FDAA CC(=O)Nc1ccc(CN2CC[C@]3(O)CCN(C(=O)N(C)C)C[C@@H]3C2)cc1 1073332437 XQHCVLDZYCAHST-PXNSSMCTSA-N 374.485 1.585 0 50 FDAA Cn1ccc(N2CCC[C@H](NC(=O)N[C@@H](c3nccs3)C3CC3)C2=O)n1 170646835 XQEDSUIQXUGYNO-GXTWGEPZSA-N 374.470 1.823 0 50 FDAA CCc1nc(COc2ccc(C(=O)N[C@@H]3CCN(C)C(=O)C3)cc2)no1 194208539 UUCDIPMGPIKPFM-CYBMUJFWSA-N 358.398 1.562 0 50 FDAA CNCCN1C(=O)CC[C@@H]2CN(C(=O)c3ccc4[nH]ccc4c3)CC[C@@H]21 215424359 OXSYDCDLSFZHDH-AEFFLSMTSA-N 354.454 1.840 0 50 FDAA Cc1cc(CC(=O)NC[C@H](c2cccnc2)N2CCOCC2)cc(C)n1 1800411235 ILIYTVCKEZEHPO-LJQANCHMSA-N 354.454 1.826 0 50 FDAA COc1cc(C)ccc1S(=O)(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1704296994 BSILPTDOAOVKHD-CVEARBPZSA-N 362.451 1.935 0 50 FDAA O=C(c1ccc(Cl)o1)N1C[C@H]2CN(Cc3nccs3)C[C@@]2(CO)C1 1772815681 SFDNLXFHYLCNAW-BZNIZROVSA-N 367.858 1.956 0 50 FDAA COc1ccc(Cn2cc(C(=O)NCCCOc3cccnc3)nn2)cc1 12193016 ODXWMNAHFWTGKR-UHFFFAOYSA-N 367.409 1.929 0 50 FDAA O=C(Cc1cccs1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 6790833 IVHNNFCDMWBBNT-UHFFFAOYSA-N 366.464 1.950 0 50 FDAA O=C(Cc1ccc2c(c1)CCCO2)N[C@H]1C[C@@H](Cn2cccn2)C[C@@H]1O 1857532733 NIALGQCHFVVTSM-NJAFHUGGSA-N 355.438 1.707 0 50 FDAA COc1ncc(CN2[C@H]3CC[C@@H]2[C@](Cc2ccccc2)(C(N)=O)C3)cn1 1857728780 CXNBPWLSDWTVIF-SQGPQFPESA-N 352.438 1.936 0 50 FDAA Cc1ncc(C(=O)N2CC[C@@]34OCCN3C(=O)C[C@@H]24)c(-c2ccccc2)n1 1857730153 KMESRQKCKHQGLR-UZLBHIALSA-N 364.405 1.625 0 50 FDAA CN(C)Cc1ccccc1CNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 116328935 VIXFOALWXAXCFZ-UHFFFAOYSA-N 373.478 1.513 0 50 FDAA Nc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc4c(c3)OCO4)C1)CC2 1704326526 ZQVNOHLOZRFDME-IBGZPJMESA-N 352.394 1.908 0 50 FDAA O=C(N[C@H]1CCOC2(CCNCC2)C1)c1ncncc1Br 2325778856 SVPPKELHCCRXGJ-JTQLQIEISA-N 355.236 1.270 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1ccnn1-c1ccccc1 2325786206 RRZLZFCQMOWVFZ-QGPMSJSTSA-N 351.410 1.638 0 50 FDAA Cc1nn(-c2cnn(C)c2)nc1C(=O)N(C)[C@H]1CCN(c2ccncc2)C1 2325799276 DAQOUNMIHPXDNM-HNNXBMFYSA-N 366.429 1.055 0 50 FDAA O=C1C[C@](O)(C(=O)N2CC(CF)C2)c2cc(Br)ccc2N1 2325805493 NEIJOIAVSHIEBC-CQSZACIVSA-N 357.179 1.407 0 50 FDAA O=C(c1ccncc1)N1C[C@H]2CCN(C(=O)C3CCOCC3)CC[C@H]2C1 2325823909 IHFCLDXDPKMPHG-HDICACEKSA-N 357.454 1.819 0 50 FDAA C[C@H](NC(=O)c1cc(S(N)(=O)=O)cn1C)c1c(F)cc(F)cc1F 2325868593 CDPRJVRIEMMIFN-ZETCQYMHSA-N 361.345 1.581 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2-c2nn[nH]n2)C1 2325889476 SHXOFFYGEUYMCU-JTQLQIEISA-N 360.805 1.883 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)N2CCSC[C@H]2c2cnn(CC)c2)C1 2325889581 XPRRZKORKZHVBO-HOCLYGCPSA-N 362.499 1.944 0 50 FDAA CCC[C@]1(C(=O)O)CCN(C(=O)CCc2c(C)nn(C)c2C)C[C@@H]1O 2356143302 BULWDQYRHKSXPX-YJBOKZPZSA-N 351.447 1.434 0 50 FDAA CCOC(=O)[C@@H]1[C@@H](c2cccs2)NC(=O)N(C)[C@]1(O)C(F)(F)F 4269790 YOLOFISUIIPWFO-YGOYTEALSA-N 352.334 1.874 0 50 FDAA CC1=NNc2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1 10365798 QSRIQVUQWJEOKC-UHFFFAOYSA-N 358.789 1.400 0 50 FDAA O=C(CCC1CCCCC1)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 247862350 NAJLJPZNVPMKCG-MRXNPFEDSA-N 370.515 1.452 0 50 FDAA Cc1ccnc(NCCNC(=O)c2sc3ncn(C)c(=O)c3c2C)c1 55089312 HJQSKEPIWIJDSI-UHFFFAOYSA-N 357.439 1.849 0 50 FDAA CC(=O)N1CCN(CC(C)(C)NS(=O)(=O)c2ccc(C)cc2)CC1 22077428 TUHDWLUBJJORMH-UHFFFAOYSA-N 353.488 1.216 0 50 FDAA COc1ccc(O)c(C(=O)NCc2cccnc2N2CCN(C)CC2)c1 67804978 GMGJTEVRKFIEIP-UHFFFAOYSA-N 356.426 1.478 0 50 FDAA CN1CCN(CCCNC(=O)CN2C(=O)c3cccc4cccc2c34)CC1 20727465 DRVZGXOODZRWHW-UHFFFAOYSA-N 366.465 1.554 0 50 FDAA O=C(NC[C@H]1CCCO1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 20489968 RWQCEHVEZNOCAG-QGZVFWFLSA-N 366.483 1.911 0 50 FDAA CCNc1cc(N2CCN(C(=O)COc3ccccc3)CC2)nc(C)n1 67621700 JGXLTAHVHRYMAB-UHFFFAOYSA-N 355.442 1.944 0 50 FDAA COCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 24607514 ZMJVYRYLOHBHCX-UHFFFAOYSA-N 374.890 1.644 0 50 FDAA CC(C)O[C@@H]1C[C@@H](NS(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)C1(C)C 333147648 ADTGDJLRKKPORY-BFHYXJOUSA-N 367.533 1.323 0 50 FDAA 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CCC(N)(CC)CNC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12 262601835 ACECCMWLCROWQV-UHFFFAOYSA-N 370.413 1.336 0 50 FDAA Cc1ccnn1CCC(=O)N1CCC[C@@]2(CCc3cnc(N(C)C)nc32)C1 1704304771 IKVHGIRKQBCQJQ-HXUWFJFHSA-N 368.485 1.944 0 50 FDAA Cc1noc(COC2CN(C(=O)[C@](C)(O)c3ccc(Cl)cc3)C2)n1 818663497 USRIWGWNQGJKEO-MRXNPFEDSA-N 351.790 1.667 0 50 FDAA Cc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)ccc1Br 6314916 NAIQSKLDIWBLOO-UHFFFAOYSA-N 361.261 1.644 0 50 FDAA O=C1CC[C@@H](CC(=O)NCCN(C(=O)[C@H]2CCCC23CC3)C2CC2)CN1 2325794579 IPRQVHPYEZVNRU-GOEBONIOSA-N 361.486 1.590 0 50 FDAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)Oc3ccccc3)CC2)C1 2325888657 NZIMHBBLKYWTHS-MRXNPFEDSA-N 371.437 1.754 0 50 FDAA CCOC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 2876839 FMFGOPUKVYZIQT-UHFFFAOYSA-N 354.428 1.799 0 50 FDAA C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccccc1)C(=O)O 2983179 QAXOJZDNUSMDAG-LRDDRELGSA-N 358.369 1.756 0 50 FDAA CO[C@@H]1CC[C@H](C(=O)NCCc2cccnc2)C[C@H]1NC(=O)c1cn[nH]c1 2356151505 LIJBUMHPLHVAJB-USXIJHARSA-N 371.441 1.077 0 50 FDAA O=C([C@H]1CCc2ncnn2C1)N1CCC2(CC1)OCCc1sccc12 2356156575 IQQLVKLJDUIXGQ-ZDUSSCGKSA-N 358.467 1.993 0 50 FDAA Nc1cccc(C(=O)N2CCc3nc(CCc4ccccc4)nn3CC2)n1 2356165136 VGGYAROQGGFJGU-UHFFFAOYSA-N 362.437 1.739 0 50 FDAA Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cc(F)c(Cl)cc2F)cn1 862923212 OXGPLQBILJSHAZ-UONOGXRCSA-N 357.744 1.928 0 50 FDAA CN1CCN([C@H]2CN(C(=O)CC34CC5CC(CC(C5)C3)C4)C[C@@H]2O)CC1 55270068 KAQSPDAPLRDFPJ-VQIYKNCMSA-N 361.530 1.412 0 50 FDAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@H]2[C@@]2(Br)C=C[C@H]12 101045607 YRQQPLLKJDBYHM-LMOYCYGVSA-N 358.195 1.786 0 50 FDAA C[C@H]1C[C@@H](C(=O)O)CN(C(=O)NCCN2CCc3ccccc3C2=O)C1 422592046 SBYSNEYKRFGASJ-DZGCQCFKSA-N 359.426 1.437 0 50 FDAA CCN(CC)Cc1cnc2c(C(=O)N3CCCN4CCC[C@H]4C3)cnn2c1 67856585 DADHSCBBYYUNDD-KRWDZBQOSA-N 370.501 1.881 0 50 FDAA COc1cccc(O[C@@H](C)C(=O)N2CCC3(CC2)CN(C)CCN3C)c1 67676259 IACPKWDCNNTIOV-INIZCTEOSA-N 361.486 1.701 0 50 FDAA Cc1cc(C(=O)Nc2cc(-c3ccco3)nn2C)c2c(=O)[nH]n(C)c2n1 252488493 ITCSJTINYXKUDE-UHFFFAOYSA-N 352.354 1.816 0 50 FDAA CC[C@@H](C(=O)OC(C)(C)C)N1CC[C@@H](N(C)Cc2cc(O)nc(N)n2)C1 481761008 MEOFMPAKCHPJMK-KGLIPLIRSA-N 365.478 1.391 0 50 FDAA C[C@H](Oc1cccc(F)c1F)C(=O)N1CCN(CCCC(=O)O)CC1 151183932 UWHHDKYOTRTRNF-LBPRGKRZSA-N 356.369 1.741 0 50 FDAA C[C@H]1c2ccccc2CCN1C(=O)c1cnn(CCN2CCOCC2)c1 364373226 GOIAAXKJHRJJCK-INIZCTEOSA-N 354.454 1.975 0 50 FDAA N[C@@H]1CN(C(=O)[C@H]2COCCN2C2CCCC2)C[C@H]1c1cccc(F)c1 333893060 YNJSQZRCNCMJCY-IPMKNSEASA-N 361.461 1.722 0 50 FDAA O=C(O)COc1cccc(C(=O)N2CCN(C(=O)c3ccsc3)CC2)c1 262237229 ZGQDTXWRKCDDPV-UHFFFAOYSA-N 374.418 1.810 0 50 FDAA Cc1nccc(CN2CCC[C@@H](Nc3ccnc4c3cnn4C)C2=O)n1 376487463 LKGPMNGEVLADRE-MRXNPFEDSA-N 351.414 1.670 0 50 FDAA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCNC(=O)C(C)C 158811157 AHBBNFDKGBOXPC-GOSISDBHSA-N 372.469 1.494 0 50 FDAA CC(=O)N1CSC[C@@H]1C(=O)N1CCC(c2nnc3ccccn23)CC1 159158204 GMPXSKYRYUPGOE-CQSZACIVSA-N 359.455 1.357 0 50 FDAA CCC[C@H]1CCc2c(sc(=O)n2CC(=O)N2CCC[C@H](C(N)=O)C2)C1 131592140 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CC(=O)N(CC(=O)O)[C@@H]1CCCN(C(=O)c2n[nH]c3ccccc23)CC1 262867900 CHUBFGMHWIKAMN-CYBMUJFWSA-N 358.398 1.491 0 50 FDAA C=CC(=O)NCCC(=O)N[C@@H](C(=O)OCC)[C@@H](O)c1ccc(Cl)cc1 862328497 CGXQDCGLCNEVCW-CVEARBPZSA-N 368.817 1.114 0 50 FDAA CC(C)[C@@H](O)c1nnc2ccc(C(=O)N[C@H]3CC[C@@H](C(=O)O)CC3)cn12 2100482509 FCEHOMKBBDPZGP-OSAQELSMSA-N 360.414 1.792 0 50 FDAA O=C1C[C@H]2CCCCN2CCCN(C(=O)Cc2cnc[nH]2)CCCCN1 2100532865 GBEFFXVIKHIOQL-QGZVFWFLSA-N 361.490 1.326 0 50 FDAA O=C(NC(=S)N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1Cl 4756107 UHSOKYXZSJHALO-QMMMGPOBSA-N 367.279 1.785 0 50 FDAA C[C@H](Cc1ccc2c(c1)OCCO2)NC(=O)CC[C@@H]1CC[C@H](C(N)=O)O1 2325786877 RQCJICATPZKLFN-IVMMDQJWSA-N 362.426 1.318 0 50 FDAA CCCCCC[C@H](C)NC(=O)c1cn(CCCc2nc(=O)o[nH]2)nn1 2325822113 DXLQCGMUNSNGPW-LBPRGKRZSA-N 350.423 1.676 0 50 FDAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)c(N3C(=O)CNC3=O)c2)C1 2325889309 JUCJULUQFIRYMX-LLVKDONJSA-N 374.372 1.245 0 50 FDAA C[C@@H](CCNS(=O)(=O)CC1CN(S(C)(=O)=O)C1)CC(C)(C)C 907143510 ZYCSIZJINVMCBO-LBPRGKRZSA-N 354.538 1.260 0 50 FDAA CC[C@H]1COCCN1C(=O)[C@@H]1CO[C@H](CNC(=O)c2ccc(Cl)o2)C1 2332237955 SBAYVTWZIRIAEP-AVGNSLFASA-N 370.833 1.705 0 50 FDAA O=S(=O)(NC[C@H]1CCCO1)c1ccc(I)cc1 887298 UEGSNLPGFGGHKZ-SNVBAGLBSA-N 367.208 1.749 0 50 FDAA CCOCC(=O)NCc1cc(CNC(=O)c2ccc(OC)nc2)ccn1 2356158293 HDYPHANPTRGBLA-UHFFFAOYSA-N 358.398 1.068 0 50 FDAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(C(=O)c2cnc3ccccc3n2)C1 2356159275 TXZGYIBIIDOYRF-HXUWFJFHSA-N 360.421 1.953 0 50 FDAA COC(=O)Cc1csc(NC(=O)CSc2cccc(C(=O)O)n2)n1 23114725 MDSNJGYTGPOGSP-UHFFFAOYSA-N 367.408 1.683 0 50 FDAA O=S1(=O)CC[C@H](NC2CCN(c3cccc(-n4cccn4)c3)CC2)C1 23431097 MNWNXRVCGIEKDH-INIZCTEOSA-N 360.483 1.618 0 50 FDAA CCN(CC)Cc1cnc2c(C(=O)N3CCCC[C@H]3CCO)cnn2c1 67878090 NRMZOMVHYJWOQQ-INIZCTEOSA-N 359.474 1.948 0 50 FDAA Cc1ccc(NC(=O)CNc2ncc(F)c(N3CCOCC3)n2)c(F)c1 65405341 NABCORHFBZIZKU-UHFFFAOYSA-N 363.368 1.950 0 50 FDAA Cc1cccc(CN2CCC[C@@](O)(CN(C)CC3(CO)CCC3)C2=O)c1 67540807 POSOJYXKKOLCSZ-OAQYLSRUSA-N 360.498 1.943 0 50 FDAA NC(=O)c1ccc(N2CCN(Cc3nc4c(s3)CCCC4)CC2)nc1 65508641 WKIDGMGRFCPDPN-UHFFFAOYSA-N 357.483 1.838 0 50 FDAA CCn1ccnc(N2CCC[C@H](N(C3CCC3)S(C)(=O)=O)CC2)c1=O 328646483 SOLZXICUGMTLST-HNNXBMFYSA-N 368.503 1.436 0 50 FDAA CCCCc1nc(CN2C(=O)[C@@H](Cc3cn(C(C)C)nn3)N=C2O)no1 328609600 FDBFBKPWWDAVKJ-GFCCVEGCSA-N 361.406 1.452 0 50 FDAA CCc1ccc(C(=O)O)cc1S(=O)(=O)N1CCN(CC2CC2)CC1 236970393 NOMDUMRFQVSKQN-UHFFFAOYSA-N 352.456 1.664 0 50 FDAA CNC(=O)[C@@H](C)N(C)C(=O)c1coc(COc2cccc(F)c2F)n1 67820867 OFSATQNLQDMPDF-SECBINFHSA-N 353.325 1.738 0 50 FDAA O=C(CCn1cnnc1)N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1 72148546 NQCJBDWLLXLOTA-KRWDZBQOSA-N 363.421 1.739 0 50 FDAA Cc1nc(C2CCN(C(=O)[C@@H](O)C(C)C)CC2)cc(N2CCOCC2)n1 72418553 IQRZPTSMSZIJJP-SFHVURJKSA-N 362.474 1.345 0 50 FDAA CCn1c(C)ccc(C(=O)N[C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)c1=O 72147347 OAOSJZFIRYCUMY-MRXNPFEDSA-N 371.412 1.847 0 50 FDAA Cn1cnc2cc(C(=O)N3CCN(C4CCSCC4)CC3)ccc2c1=O 215922834 NIQVSYAQTZSVIZ-UHFFFAOYSA-N 372.494 1.587 0 50 FDAA CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(O)cccc3nc2-1 5924106 LCZZWLIDINBPRC-FQEVSTJZSA-N 364.357 1.785 0 50 FDAA biogenic CN(Cc1cccnc1)c1ncc(S(C)(=O)=O)c([C@@H]2CCCNC2)n1 72454046 JATRWRXPOAGDQF-CQSZACIVSA-N 361.471 1.379 0 50 FDAA COc1cccc(C(=O)N2CCN(Cc3cnc(N(C)C)nc3)CC2)c1 72152388 NIWHOVJYMKWWTA-UHFFFAOYSA-N 355.442 1.509 0 50 FDAA CCN1CCO[C@H](C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)C1 174549263 QCBMSHHKZRZZQD-IBGZPJMESA-N 371.481 1.791 0 50 FDAA CCC(CC)N1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2ncc[nH]2)[C@H]3C1=O 77452682 QLKBUEKAHHROCB-FJXLLPKBSA-N 358.442 1.339 0 50 FDAA O=C1NC[C@@H](C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)N1 72479632 ORMBRDFKDFDSPW-SFHVURJKSA-N 364.449 1.602 0 50 FDAA Cc1cc(C)c(CN2CCOC[C@@H](CO)C2)cc1CN1CCN(C)CC1 77322243 LBTWMYOKDZXDIE-LJQANCHMSA-N 361.530 1.492 0 50 FDAA COCc1cc(C(=O)N(Cc2scnc2C)C[C@@H]2CCNC2)no1 261798025 VORGATLETARQCS-GFCCVEGCSA-N 350.444 1.838 0 50 FDAA CC[C@H](O)CNC(=O)c1cn2cc(-c3ccc(OC)cc3)n(C)c(=O)c2n1 72422688 GHLYHHSWNGHDSI-ZDUSSCGKSA-N 370.409 1.209 0 50 FDAA CCOC(=O)CN1CCC2(CCN(Cc3cc(C)no3)CC2)[C@@H](CO)C1 215112008 PHIVOHHQVDUUQE-MRXNPFEDSA-N 365.474 1.443 0 50 FDAA CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@]3(CCCOC3)C2)cc1 375294610 YGRMQSOTWKGQAY-GOSISDBHSA-N 366.483 1.556 0 50 FDAA Cc1cc(OCC(=O)N2CCC[C@H]2C(N)=O)c2c(C)c(C)c(=O)oc2c1 32124217 UJMMQZCAJOFWQW-ZDUSSCGKSA-N 358.394 1.573 0 50 FDAA biogenic Cn1cccc1CN1CCC[C@H](n2ncc(N3CCOCC3)cc2=O)C1 375567151 RCNQVTHDTLLBDK-KRWDZBQOSA-N 357.458 1.256 0 50 FDAA Cc1ncccc1OC1(C(=O)O)CCN(C(=O)Cc2ccn(C)c2)CC1 72474904 PIVKGUDJFJHUMJ-UHFFFAOYSA-N 357.410 1.796 0 50 FDAA CCc1nc(CN2CCC3(CC2)C[C@H](C(=O)O)N(C(C)=O)C3)cs1 72144814 YPKHWQQXZDVFOX-CQSZACIVSA-N 351.472 1.993 0 50 FDAA Cc1ccc(Cn2nc(C)c(CCC(=O)N3C[C@H](O)[C@@H](CO)C3)c2C)cc1 458020657 GENXSTSHLVBQMM-QUCCMNQESA-N 371.481 1.601 0 50 FDAA COCc1cccc(NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)c1 72140709 XJGRAXGZZLDOEK-UHFFFAOYSA-N 355.460 1.290 0 50 FDAA O=C(Cn1ccc(=O)[nH]c1=O)N1CCc2[nH]c3c(Cl)cccc3c2C1 72459152 ZMCBCVBSQAGQRP-UHFFFAOYSA-N 358.785 1.256 0 50 FDAA O=C(N[C@@H]1CCN(c2ncnc3sccc23)C[C@H]1O)c1ccccn1 77374994 VCDNDYYSQYUEHL-TZMCWYRMSA-N 355.423 1.456 0 50 FDAA Nc1nc(CC(=O)N2CCC[C@@H](CCc3cccc(F)c3)C2)cc(=O)[nH]1 71756954 OLACLFCZNBCSBY-AWEZNQCLSA-N 358.417 1.905 0 50 FDAA Cn1c(=O)oc2cc(NC(=O)N3CCN(C[C@@H]4CCOC4)CC3)ccc21 176972451 NSZDSRLVBIBLGT-ZDUSSCGKSA-N 360.414 1.318 0 50 FDAA O=C(CN1CCCCCC1)N[C@@H]1CCOC[C@H]1OCc1cscn1 222279357 DGGVJTVWPHVVHT-HZPDHXFCSA-N 353.488 1.809 0 50 FDAA O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 288744237 HQAAXTWZUJKTJB-WNRNVDISSA-N 373.453 1.588 0 50 FDAA O=C(Cn1c(O)nc(=O)c2ccccc21)N1CCCC[C@@H]1c1cc[nH]n1 289325963 IUXNKWDHTQIWGO-OAHLLOKOSA-N 353.382 1.579 0 50 FDAA Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCCn2nc([C@@H](C)O)cc2C1 223964273 RZQSQXKPEBPRAS-SNVBAGLBSA-N 373.866 1.226 0 50 FDAA COc1cncc([C@@H](NC(=O)c2nnc3n2CCCC3)[C@H]2C[C@@H](O)C2)c1 223323949 RENYVIWGLPPWOT-RBOXIYTFSA-N 357.414 1.260 0 50 FDAA Cc1nn(CCO)cc1CN1CCC(n2c(=O)[nH]c3ccccc32)CC1 223147053 HRTJTTWNWFFLEM-UHFFFAOYSA-N 355.442 1.664 0 50 FDAA Cc1nnc(-c2ccc(C)c(NC(=O)NC3CCN(CC(N)=O)CC3)c2)o1 426486028 REBTXVLNFMSTLP-UHFFFAOYSA-N 372.429 1.425 0 50 FDAA O=C(NCCn1[nH]c(=O)c2ccccc2c1=O)[C@@H]1CCc2ccccc2C1 221362235 OZHQEXLWWCLHEZ-MRXNPFEDSA-N 363.417 1.611 0 50 FDAA Cc1cc(C(=O)NCc2cn3nc(C)sc3n2)c2c(C)nn(C)c2n1 426472972 QSSMKQIIIKNSCX-UHFFFAOYSA-N 355.427 1.928 0 50 FDAA O=C1CNC[C@@H](C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)N1 91677621 XBWFSWCKJSKMKI-IBGZPJMESA-N 363.461 1.683 0 50 FDAA CCN1CCc2nc[nH]c2C12CCN(C(=O)c1nnc3n1CCCC3)CC2 91519263 LLNMIGMBAQMRGT-UHFFFAOYSA-N 369.473 1.347 0 50 FDAA NS(=O)(=O)c1ccc(F)c(C(=O)NCc2cc(-c3ccccc3)n[nH]2)c1 95378334 UEDNYRDXYSHKCH-UHFFFAOYSA-N 374.397 1.793 0 50 FDAA Cn1c(Cn2ccnc2)nnc1C1CCN(C(=O)c2cccnc2)CC1 91351228 FXLPFIDSXQJPQJ-UHFFFAOYSA-N 351.414 1.475 0 50 FDAA O=C1NCCN(C(=O)c2c[nH]nc2C2CCCCC2)[C@H]1Cc1cnc[nH]1 97505708 NHQXWZOBRIRCFT-HNNXBMFYSA-N 356.430 1.364 0 50 FDAA Cn1c(CN2CCCCCC2)nnc1C1CCN(S(C)(=O)=O)CC1 91593528 GZFXQNSZJRCXIF-UHFFFAOYSA-N 355.508 1.330 0 50 FDAA CC(C)[C@@H]1CN(C(=O)c2ccc3nccnc3c2)C[C@H]1NC(=O)N(C)C 91690115 ZVEZZOVDLRLCBH-WMLDXEAASA-N 355.442 1.998 0 50 FDAA COc1cccc2c1OC[C@H](C(=O)NC1CCN(c3cnccn3)CC1)C2 91713343 ZRLAIEXQBKELKU-OAHLLOKOSA-N 368.437 1.822 0 50 FDAA COc1ccc2c(c1)OC[C@]1(CO)CN(Cc3nncn3C(C)C)C[C@H]21 95508370 JBDSNHXXXQWZAE-VQIMIIECSA-N 358.442 1.838 0 50 FDAA CC(C)(C)NS(=O)(=O)c1ccccc1-c1cnc2c(C(N)=O)cnn2c1 96162886 IHQIQJHDODMXKZ-UHFFFAOYSA-N 373.438 1.572 0 50 FDAA OCCn1c(N2CCN(Cc3ccccc3)C[C@@H](O)C2)nc2ccccc21 95521333 BCBWHUFQQWXQHY-GOSISDBHSA-N 366.465 1.712 0 50 FDAA CN(Cc1nccn1C)C(=O)c1ccc(S(=O)(=O)NCC2CC2)cc1 91872796 JCONSTDAJBENDJ-UHFFFAOYSA-N 362.455 1.381 0 50 FDAA O=C(NCc1ccccc1)c1ccc(S(=O)(=O)NCc2ncc[nH]2)cc1 91725219 CSQXHCUQHPFAKG-UHFFFAOYSA-N 370.434 1.818 0 50 FDAA CN(C)CCN1C[C@@H](C(=O)N(C)Cc2cc(-c3ccccc3)[nH]n2)CC1=O 95354885 QFCIHJPURYTEFA-INIZCTEOSA-N 369.469 1.445 0 50 FDAA C[C@H](NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1ccccc1 245227707 LZUYCICNJCUOBS-WSHGUSNWSA-N 350.418 1.917 0 50 FDAA CCn1nc(CO)c2c1CCN(CC(=O)N1c3ccccc3C[C@@H]1C)C2 244866729 WBKCJVHKVCTXSC-AWEZNQCLSA-N 354.454 1.731 0 50 FDAA CSc1nc(=NC(=O)C2CCN(C(=O)[C@@H]3CCCO3)CC2)[nH]s1 1940196075 IGMTXKJBCODURC-JTQLQIEISA-N 356.473 1.038 0 50 FDAA O=C(N[C@@H](Cc1ccccc1)C(=O)O)C1CCN(C2CCOCC2)CC1 299787982 VFCBWDKXPOUEAE-SFHVURJKSA-N 360.454 1.690 0 50 FDAA CN1CCN(c2cccc(NC(=O)N3CCN([C@H]4CCNC4)CC3)c2)C1=O 299794788 KSIQKTGUAKPSEF-KRWDZBQOSA-N 372.473 1.070 0 50 FDAA Cc1cc(C)nc(-c2cccc(C(=O)N3CCN(CCCO)CC3)c2)n1 299779843 LGGAJVJOYIJQNW-UHFFFAOYSA-N 354.454 1.901 0 50 FDAA COCC1CCN(S(=O)(=O)NCC[C@H]2CCCCN2C(C)C)CC1 824372023 BNNATAGOVKPEEY-QGZVFWFLSA-N 361.552 1.832 0 50 FDAA C=CC(=O)N(C)CC(=O)N1CC[C@@](O)(c2ccc(Br)cc2)C1 1875380848 CAAYMDVKIYPHAY-INIZCTEOSA-N 367.243 1.513 0 50 FDAA COC(=O)/C=C/C(C)(C)NC(=O)NS(=O)(=O)c1ccc2c(c1)COC2 1875331110 PWCACBYIJRGKFP-VOTSOKGWSA-N 368.411 1.213 0 50 FDAA Cn1c(O)nnc1[C@H]1[C@@H](C2CC2)CCN1C(=O)c1cnc2c(c1)COCC2 1875401975 XQIXPYRQLDTJCG-GDBMZVCRSA-N 369.425 1.602 0 50 FDAA Cc1nc(CC(=O)N2CC[C@](c3nc(C4CC4)no3)(C(F)(F)F)C2)n[nH]1 952895709 WHTVDBFWTSBCRB-AWEZNQCLSA-N 370.335 1.649 0 50 FDAA CC(C)c1nccn1CCCNc1cncc(C(=O)N2CCOCC2)n1 952967782 BUNXKUCKRILYHE-UHFFFAOYSA-N 358.446 1.771 0 50 FDAA Cc1nc(O)nc(O)c1CC(=O)N1CCC[C@@H](C(=O)c2cccs2)C1 952982745 YMUJPFPZELBHKO-LLVKDONJSA-N 361.423 1.922 0 50 FDAA COc1ccc(S(=O)(=O)N2CCN(CC(C)C)[C@@H](CCO)C2)cc1F 952971304 NHQAUALNSDDQIX-AWEZNQCLSA-N 374.478 1.548 0 50 FDAA Cn1nc(C(F)(F)F)cc1S(=O)(=O)NC[C@@H]1CNCc2ccccc21 888100062 DZWRKUWMHIUXAT-NSHDSACASA-N 374.388 1.604 0 50 FDAA NC(=O)c1ncn(CC(=O)Nc2ccccc2NC(=O)c2cccs2)n1 1360806622 LBXCWOMSRJKQQP-UHFFFAOYSA-N 370.394 1.330 0 50 FDAA CN(C(=O)c1ccc2[nH]c(=O)n(C)c2c1)c1ccc(N2CCOCC2)nc1 273388077 KCQJRYZZEQRLEA-UHFFFAOYSA-N 367.409 1.375 0 50 FDAA O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1C[C@@H](O)C[C@H]1CO 185908978 LWCNJLRXVQRQAY-UWVGGRQHSA-N 367.755 1.510 0 50 FDAA CN(C)C(=O)c1cccc(CNC(=O)N[C@H](CO)Cc2ccccc2)c1 275569113 FWJQOFAUDVHCDH-SFHVURJKSA-N 355.438 1.791 0 50 FDAA CCN(CC(=O)O)C1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 186753123 HAMSXJOOKOKGIE-UHFFFAOYSA-N 360.501 1.925 0 50 FDAA O=C(NS(=O)(=O)Cc1cccc2c1OCCO2)C1CC2(CCC2)C1 408497323 IXPCKEFKENSMEC-UHFFFAOYSA-N 351.424 1.984 0 50 FDAA Cc1c(-c2ccccc2)nn(C)c1NC(=O)C[C@@H]1C(=O)NCCN1C(C)C 1529100735 YRBRUQMEJGSQOG-MRXNPFEDSA-N 369.469 1.933 0 50 FDAA CCn1c(N2CCC[C@]3(CCC(=O)N(C)C3)C2)nc2cc(C(=O)O)cnc21 1529089645 SAMWYRSDECMLEN-LJQANCHMSA-N 371.441 1.988 0 50 FDAA O=C(c1c(N2CCOCC2)noc1-c1ccccc1)N1C[C@@H](O)[C@H](F)C1 1704309623 ZOHHJFGDUWEZDG-ZIAGYGMSSA-N 361.373 1.333 0 50 FDAA Cn1cncc1CN(CCO)C(=O)Cn1c(C2CC2)nc2ccccc21 1704336451 JCLAWPIGVCHSBT-UHFFFAOYSA-N 353.426 1.668 0 50 FDAA Cc1ccncc1C(=O)N1CCCN(Cc2cnn3cccnc23)CC1 1800412287 XFKVWMBFZMOWJM-UHFFFAOYSA-N 350.426 1.781 0 50 FDAA COC(=O)c1cc(O)cc(C(=O)N2CCC(c3ccn(C)c(=O)c3)CC2)c1 1772810048 HUWOARQLXDHKJC-UHFFFAOYSA-N 370.405 1.897 0 50 FDAA COc1c(F)cccc1CN1CCCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 1775983608 ORJKTVGNCPZTPZ-CQSZACIVSA-N 363.433 1.395 0 50 FDAA OC[C@@]12CN(Cc3cc[nH]n3)C[C@H]1CN(Cc1cccc3cnccc13)C2 1772815165 XNTSDVAFTHIJEN-WIYYLYMNSA-N 363.465 1.884 0 50 FDAA CC(=O)NCC(=O)NC[C@@H]1Cc2cccc(-c3nc(C)cc(C)n3)c2O1 11980687 MSUKCGYPLMLWHA-HNNXBMFYSA-N 354.410 1.316 0 50 FDAA O=C(Cn1nnnc1CN1CCCCCC1)NCCCOc1cccnc1 12430334 SHKSFMFHPUHJTI-UHFFFAOYSA-N 373.461 1.029 0 50 FDAA COc1cc(CNC(C)C)ccc1OC[C@@H](O)CN1CCSCC1 12593346 WECRJSDZEOXDOB-INIZCTEOSA-N 354.516 1.982 0 50 FDAA COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)NCc1cccnc1 13580942 CCZZWAXFGINUAF-UHFFFAOYSA-N 367.402 1.166 0 50 FDAA CCOC(=O)c1nn(CC)c2c1CN(C(=O)c1cn3ccccc3n1)CC2 14533506 SMWRZOGEWXTVRS-UHFFFAOYSA-N 367.409 1.926 0 50 FDAA CCn1ncc(C2=NO[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C2)c1C 6804888 RYRVMOBEIZPVRW-QGZVFWFLSA-N 356.382 1.750 0 50 FDAA O=C(Cn1nnc2ccccc21)OCC(=O)c1ccc2c(c1)OCCO2 4776206 QGQCLILVVJKYDC-UHFFFAOYSA-N 353.334 1.629 0 50 FDAA CCOC(=O)c1cccc(NC(=O)N2C[C@@H]3OCCC(=O)N(C)[C@H]3C2)c1 1857668521 YPKCXUYTYNFTOP-GJZGRUSLSA-N 361.398 1.327 0 50 FDAA Cn1nc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1Cl 1857689725 WJKFTINAMDZYDV-UHFFFAOYSA-N 363.805 1.155 0 50 FDAA Cc1ncc(C)c(N2CC[C@H](N3CCN(c4ccccn4)CC3)[C@@H](O)C2)n1 253601840 XJTMUDFRCBRTJH-ROUUACIJSA-N 368.485 1.250 0 50 FDAA CC(=O)N[C@H](CC(=O)N1CCC[C@H](N)C1)c1ccc(Br)cc1 158437215 CZMNVLZIHUITOQ-LSDHHAIUSA-N 368.275 1.966 0 50 FDAA CC(C)(CNC(=O)c1cccnc1N1CCCC1)N1CCS(=O)CC1 265077389 WFRCXGYWIMWXEQ-UHFFFAOYSA-N 364.515 1.255 0 50 FDAA COc1ccccc1C1(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)CC1 266682196 LXQSDIRQIXEKLM-HXPMCKFVSA-N 357.410 1.221 0 50 FDAA Cn1cnnc1NC(=O)CN1CCCC[C@H](OCc2ccccc2)C1=O 818849860 MSNVXZAWXAFMLA-HNNXBMFYSA-N 357.414 1.352 0 50 FDAA CC(=O)c1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1 4717415 GITIABGHTXMJTJ-UHFFFAOYSA-N 362.411 1.595 0 50 FDAA Cc1ccccc1-n1cc(C(=O)N2CCC[C@]23CCS(=O)(=O)C3)nn1 2325786675 PHVYNDRBGUNYGS-QGZVFWFLSA-N 360.439 1.369 0 50 FDAA O=C(Cc1cccc2cnccc12)N[C@@H](c1nn[nH]n1)C1CCOCC1 2325824350 YZKDAQYFCIBRFR-QGZVFWFLSA-N 352.398 1.575 0 50 FDAA CC(C)[C@@H](C)CC(=O)N1CC[C@@H](NC(=O)C(F)(F)c2cnccn2)C1 2325860906 YMCXCRSLNQMJNF-QWHCGFSZSA-N 354.401 1.968 0 50 FDAA CS(=O)(=O)c1csc(S(=O)(=O)Nc2cccc3c2NC(=O)C3)c1 2325866397 JMLCMBLAQBQJRB-UHFFFAOYSA-N 372.449 1.447 0 50 FDAA C=CC(=O)N(C)c1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2COC(C)(C)O2)cc1 2325889920 BMRIVWGIAHRHHG-SJORKVTESA-N 374.437 1.828 0 50 FDAA Cc1ccc(OCC(=O)NCCNC(=O)c2nc(C3CC3)no2)cc1C 20394870 PWQMMZHEHKIETE-UHFFFAOYSA-N 358.398 1.489 0 50 FDAA Nc1nonc1-n1nnc(CN2CCCCCC2)c1CN1CCCCCC1 2294579 HNYCNUQWKZJMTI-UHFFFAOYSA-N 374.493 1.985 0 50 FDAA COc1nc2c(cc1CN1CCC[C@]13CCCNC3=O)C(=O)N(C(C)C)C2 2356167174 UKAZKXWOJYUNDR-FQEVSTJZSA-N 372.469 1.699 0 50 FDAA O=C1C[C@@H](N2CCN(c3ccc(O)cc3)CC2)C(=O)N1c1ccccc1 4140853 JJFJQFJFFVLMCX-GOSISDBHSA-N 351.406 1.846 0 50 FDAA O=C(NCc1ccc2c(c1)OCO2)c1c(O)c2cccc3c2n(c1=O)CC3 100621238 DWRMZLRXDXCHSR-UHFFFAOYSA-N 364.357 1.922 0 50 FDAA biogenic Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N(C)[C@H](C)C[S@@](C)=O 135696539 MTGNKLVZWIBZIG-ZLOXQWCVSA-N 372.512 1.374 0 50 FDAA Cc1ccccc1-n1c(CN(C)S(C)(=O)=O)nnc1SCC(=O)O 67688397 QKOYLGWGEOVQRQ-UHFFFAOYSA-N 370.456 1.144 0 50 FDAA CNc1ncccc1C(=O)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 65410332 AWOSNRBAZXZHKZ-DZGCQCFKSA-N 355.394 1.843 0 50 FDAA COC(=O)c1cc2n(n1)CCN(C(=O)c1cc(-c3ccc(O)cc3)n[nH]1)C2 67605317 SKYFLMOMKDGYHL-UHFFFAOYSA-N 367.365 1.421 0 50 FDAA COc1cccc(C(=O)N2CCN(c3cc(-n4cccn4)ncn3)CC2)c1 67630113 FOXMFNHTRDVCPL-UHFFFAOYSA-N 364.409 1.633 0 50 FDAA CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)COc1ccc(CC)cc1 252490531 KWMRVYCEBBAPJN-QWHCGFSZSA-N 350.415 1.200 0 50 FDAA COc1ccc(OC[C@H](C)NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1 65361837 GOULAJIRXPQBEU-KBPBESRZSA-N 370.471 1.250 0 50 FDAA Cc1noc([C@@H]2COCCN2C(=O)CCCc2nc(C(C)(C)C)no2)n1 120963064 MIGPIKCGPBCXEF-LBPRGKRZSA-N 363.418 1.981 0 50 FDAA Cc1cc(C)n(-c2ccc3nnc(CCC(=O)Nc4nccs4)n3n2)n1 67630332 NPOHUCXGWYHNNH-UHFFFAOYSA-N 368.426 1.955 0 50 FDAA CC(C)[C@H](NC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O)C(=O)O 61720700 YMZSUUIVOCQNSN-INIZCTEOSA-N 363.801 1.789 0 50 FDAA CC1(C)CN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)[C@H]1[C@@H]1CCCO1 332984139 ACLWTTZXTVVLCU-BARDWOONSA-N 358.504 1.941 0 50 FDAA O=C(CN1CCOc2ccccc2C1)N1CCC[C@H](c2cc(O)ncn2)C1 65383675 ITHQKVGNMIUPHE-HNNXBMFYSA-N 368.437 1.783 0 50 FDAA CCCN(C(=O)Cc1c(C)nn(C(F)F)c1C)[C@H]1CC(=O)N(C)C1=O 283441981 GXKOQZMCDCFRQF-LBPRGKRZSA-N 356.373 1.433 0 50 FDAA Cc1ccnc(N2CCN(C(=O)c3c(C)nn(C)c3-n3cccn3)CC2)c1 330198833 UQTWREALMFKACT-UHFFFAOYSA-N 365.441 1.580 0 50 FDAA CCn1c(C2CCN(C(=O)[C@H]3CC(=O)c4ccccc43)CC2)nn(C)c1=O 67757664 JYXUCNNZINUNHE-INIZCTEOSA-N 368.437 1.678 0 50 FDAA CCN1CCO[C@@H](C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)C1 173690835 SSRUOXNTFMGECC-GOSISDBHSA-N 359.470 1.262 0 50 FDAA O=C(c1cnc(C2CC2)nc1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCCO)C1 72427226 IDLGENVYRPOBTR-GOEBONIOSA-N 358.442 1.190 0 50 FDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)NCCO 72144686 KDAUEQLCNRICDQ-IBGZPJMESA-N 367.449 1.153 0 50 FDAA Cn1cc(Oc2ccccc2C(=O)N2CCO[C@@H](c3ncon3)C2)cn1 367274463 MOYCCYUVZZCIKZ-OAHLLOKOSA-N 355.354 1.809 0 50 FDAA CNc1cc(C)nc(N2CCC3(CC2)C[C@H](C(=O)O)N(C(=O)C2CC2)C3)n1 72476723 OTVYQBZTWMLBAH-CQSZACIVSA-N 373.457 1.509 0 50 FDAA O=C(c1ccoc1C1(O)CCOCC1)N1CCN(c2ccccn2)CC1 370468508 LRKHUTOSFFGLLY-UHFFFAOYSA-N 357.410 1.635 0 50 FDAA CC(=O)C1(c2ccccc2)CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 72408314 TUHFSUAPFGOHPG-ZDUSSCGKSA-N 352.456 1.074 0 50 FDAA Cc1[nH]nc(O)c1CC(=O)N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1 77436612 FYVZYAKHQONRJA-IBGZPJMESA-N 360.458 1.607 0 50 FDAA Cc1ccnn1CC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(=O)O)cc1 223059112 BZIQORJXEDLROY-HZPDHXFCSA-N 359.382 1.242 0 50 FDAA CCOc1ccc(S(=O)(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@@H]2COC)cc1C 223373519 VIYKZDGLTIBYTN-ABFRBSLYSA-N 355.456 1.722 0 50 FDAA O=C(NC1CCN(C(=O)N2CCOCC2)CC1)[C@H]1CCc2ccccc2O1 221340129 OYJONXLCMXZDJI-GOSISDBHSA-N 373.453 1.413 0 50 FDAA Cc1cccc2nc(CCNC(=O)N3CC[C@]4(CN(C)C(=O)CO4)C3)[nH]c12 426369865 FQVYKUFZWHQLBZ-IBGZPJMESA-N 371.441 1.057 0 50 FDAA Cc1ccc(CN2CCn3nc([C@H](O)CC(=O)N(C)C)cc3C2)cc1F 220751259 ZLDSQIPYMIOURQ-GOSISDBHSA-N 360.433 1.858 0 50 FDAA O=C(CN1C[C@@H](c2ccccc2)CC1=O)NCc1cc2n(n1)CCCNC2 82135616 LFEFCWGRMKGVJE-INIZCTEOSA-N 367.453 1.009 0 50 FDAA O=C(NC[C@@H]1CNCCO1)c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1 426406037 FLPZTSXUMUNHKG-KRWDZBQOSA-N 364.409 1.252 0 50 FDAA CCc1cc(N2CCC(n3cc(C(C)(C)O)nn3)CC2)nc(N(C)C)n1 19145798 COVSCEBUHGKDAT-UHFFFAOYSA-N 359.478 1.765 0 50 FDAA CCN=c1cc[nH]c(-c2ccc(C(=O)N3CCC(=O)NC[C@H]3C)cc2)n1 426412331 DEIKCGSYNMCYKA-CYBMUJFWSA-N 353.426 1.348 0 50 FDAA CN(C)c1nc(N)nc(CNC(=O)c2cc(-n3cccn3)ccc2Cl)n1 426612194 BFNYRMXRWPOQAV-UHFFFAOYSA-N 372.820 1.289 0 50 FDAA CCCNC(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 82127550 BUUKJDNMEYMJBZ-MRXNPFEDSA-N 366.506 1.141 0 50 FDAA Cn1c(=O)n(C)c2cc(CNC(=O)N3CCC[C@@H]3Cn3cccn3)ccc21 426490721 PBVKUFJVMMFSPW-OAHLLOKOSA-N 368.441 1.448 0 50 FDAA Cc1ncnc(N2CCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)CC2)c1C 91987351 VXUKISICMDYGQI-INIZCTEOSA-N 371.485 1.533 0 50 FDAA Cc1ccc(C(=O)N2CCC[C@@H](c3nnc(Cn4cccn4)n3C)C2)cn1 91625917 XRUCELQIPQRJLM-MRXNPFEDSA-N 365.441 1.783 0 50 FDAA CC(=O)N1CC2(CCN(C(=O)c3sccc3C)CC2)C[C@H]1C(=O)O 91656496 YRFWBFAGPNUVAR-ZDUSSCGKSA-N 350.440 1.984 0 50 FDAA Cc1ncc(S(C)(=O)=O)c(N2CCC[C@H](OCc3cccnc3)C2)n1 95388480 OWZMTTPTDTUHBF-HNNXBMFYSA-N 362.455 1.769 0 50 FDAA CN(C)C(=O)N1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 95507272 QZDOZDMLZXYBCW-QGZVFWFLSA-N 373.501 1.904 0 50 FDAA CCn1nc(C2(c3ccccc3)CC2)nc1CN(C)[C@@H]1CCS(=O)(=O)C1 96140379 MOYYODIJDDEPPU-MRXNPFEDSA-N 374.510 1.997 0 50 FDAA Cn1c(C(N)=O)cc2c1CN(C(=O)[C@@H]1CCCN(C3CCCC3)C1)CC2 91505202 KHDNSXUCIPNPLP-OAHLLOKOSA-N 358.486 1.663 0 50 FDAA COCCCn1cnnc1CNC(=O)c1ccc([C@@H]2CCCNC2)cc1 95382638 NNVBKXZWCKIXBS-QGZVFWFLSA-N 357.458 1.712 0 50 FDAA CN(C)[C@@H](C(=O)NCCc1nc(-c2cccnc2)n[nH]1)c1ccc(F)cc1 95365799 SMXUUCWOHCOSIT-QGZVFWFLSA-N 368.416 1.967 0 50 FDAA CN(C)[C@H]1CCN(S(=O)(=O)Cc2ccccc2)C[C@H]1CCC(=O)O 91664809 YRZYZNDZCLIZDG-CVEARBPZSA-N 354.472 1.633 0 50 FDAA Cc1nc(N2CCN(Cc3ccoc3)[C@H](CCO)C2)c2cnn(C)c2n1 95361156 IDSFRWKNATXWNM-OAHLLOKOSA-N 356.430 1.338 0 50 FDAA O=C(NC[C@@H]1COc2ccccc2C1)c1cnc(N2CCOCC2)nc1 91548601 GUWODWXTCRSBHT-CQSZACIVSA-N 354.410 1.294 0 50 FDAA CCc1nnsc1C(=O)N1CCC(c2nccn2CCN(C)C)CC1 91965971 WTNKCVIJJVCFTL-UHFFFAOYSA-N 362.503 1.878 0 50 FDAA C[C@H](O)CNC(=O)c1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1 91908151 HQCFEHZGPQPXCY-LBPRGKRZSA-N 366.414 1.415 0 50 FDAA CC(=O)c1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(S(C)(=O)=O)C3)s1 91526273 KZMZGMNVUSOIGW-NWDGAFQWSA-N 356.469 1.447 0 50 FDAA COc1ccc2c(c1)OC[C@@H](CNC(=O)c1ccc(-n3cnnn3)cc1)C2 91966184 PGFJEZKZZDIMNV-CYBMUJFWSA-N 365.393 1.652 0 50 FDAA O=C(c1ncccc1O)N1CC[C@]2(CCCN(C3CCOCC3)C2=O)C1 91858927 GNLBOWWYRNWVKK-LJQANCHMSA-N 359.426 1.421 0 50 FDAA C[C@H]1CN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CCN1S(C)(=O)=O 181599315 KQGKPBGQCYVHEW-JTQLQIEISA-N 370.862 1.042 0 50 FDAA Cc1nc(CCNC(=O)CN(C)Cc2ccncc2)nc2c1CCCC2 244574948 CUADGXSDMFLNJR-UHFFFAOYSA-N 353.470 1.850 0 50 FDAA Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N1CCO[C@H](C(=O)O)C1 299749569 KUXANTKTXPKQSF-INIZCTEOSA-N 374.441 1.874 0 50 FDAA O=C(CCCn1cnnn1)N1CCc2onc(-c3cccc(F)c3)c2C1 67643216 IAUMCAIDIPYJFJ-UHFFFAOYSA-N 356.361 1.832 0 50 FDAA CC(=O)N1CCc2c(nc(-c3ccccn3)nc2N2C[C@@H]3CC[C@H](C2)N3)C1 72165117 ZDKAXRWJUVWKEL-GASCZTMLSA-N 364.453 1.384 0 50 FDAA CCc1cc(C(=O)N2CCC(N3CCC[C@H](C(=O)O)C3)CC2)cc(O)n1 299785691 NJLPSSUMFMTTQU-ZDUSSCGKSA-N 361.442 1.751 0 50 FDAA CO[C@H]1CC[C@@]2(OC)CCN(Cc3cc(=O)n4cccc(O)c4n3)[C@H]2C1 299788810 XQVPGYRUHLHZEO-URLQWDBASA-N 359.426 1.559 0 50 FDAA CCS(=O)(=O)N1CCN(C(=O)C2(N3CCCCC3)CCCCC2)CC1 823413097 ZJFMRPULOLNXIW-UHFFFAOYSA-N 371.547 1.669 0 50 FDAA CSCC(=O)N1CCOC2(CCN(C(=O)c3ccncc3C)CC2)C1 824881616 WRFAGQRQIGGMJZ-UHFFFAOYSA-N 363.483 1.587 0 50 FDAA CC[C@H](Cn1ccnc1)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 670472871 NXHKAELVBMENAN-GFCCVEGCSA-N 357.457 1.044 0 50 FDAA CN1Cc2nncn2C[C@H]1c1nc(-c2ccc3c(O)ncnc3c2)no1 952894751 QJPWLBDUIMYTOJ-LBPRGKRZSA-N 350.342 1.164 0 50 FDAA Cc1ccnc2nc(C(=O)NC[C@@H](O)CO[C@@H](C)c3ccccc3)nn12 1875256288 DCEWFLORLBZPLT-DZGCQCFKSA-N 355.398 1.301 0 50 FDAA O=C(N[C@@H]1CCN(CCF)C1=O)N1CCC[C@@H](c2cc(O)cc(F)c2)C1 1875301563 NAWQPGOGQHGLFP-MLGOLLRUSA-N 367.396 1.991 0 50 FDAA Cc1conc1CN1CCC2(CCN(C(=O)CCc3cnn[nH]3)CC2)C1 1875407170 UJSBBEBBKMQQOK-UHFFFAOYSA-N 358.446 1.548 0 50 FDAA Cn1ncc(CCC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCCC2(C)C)n1 1875406466 FCOAPWMWXXIGHF-JYJNAYRXSA-N 359.474 1.386 0 50 FDAA Cn1cnc2ccc(C(=O)N[C@@H]3C[C@@H](Cn4cc(Cl)cn4)C[C@H]3O)nc21 1875403082 PMXJLTHNECRAFI-VCTAVGKDSA-N 374.832 1.388 0 50 FDAA CC(=O)c1c(C)nn(CCC(=O)N2CCN(CC(F)(F)F)CC2)c1C 952982272 VXQIZEJAMMTFRR-UHFFFAOYSA-N 360.380 1.799 0 50 FDAA Cc1noc(C[C@]2(O)CCCN(CC(=O)NCc3ccccc3C)C2)n1 888076822 JDURTSIIZARTHO-LJQANCHMSA-N 358.442 1.372 0 50 FDAA Cc1cnn([C@@H]2[C@@H](NC(=O)c3cnn(C4CCOCC4)c3C)C[C@H]2O)c1 888077152 NZEAGRSHKISBBL-GVDBMIGSSA-N 359.430 1.152 0 50 FDAA COC[C@@H]1[C@H](NC(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)[C@H]2CCO[C@@H]12 1565514809 XWWPLBNHOKCXRG-DTTOXWODSA-N 357.410 1.865 0 50 FDAA NC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H](CC(=O)O)C2)c1 281717378 CWFRKDGYRNBGMK-VIFPVBQESA-N 360.819 1.314 0 50 FDAA Cc1cc(C)c2c(c1)CN(C(=O)Cn1c(=O)[nH]c3ccccc3c1=O)CC2 187797045 SSSDVNNUKQOTHV-UHFFFAOYSA-N 363.417 1.892 0 50 FDAA COCCN1CCC[C@H]1CNC(=O)N1CCC[C@@H](c2nc(C)no2)C1 111864330 CRRSAQXWGSQALR-CABCVRRESA-N 351.451 1.378 0 50 FDAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Nc1ccccc1F)C2 213325143 BRJGPIVHIDGVNT-OLZOCXBDSA-N 362.405 1.369 0 50 FDAA CCC[C@@H]1COC[C@@H]2CN(C(=O)c3ccccc3-n3cnnc3)CCN21 1615730106 BOLSOTMEIIOODS-CVEARBPZSA-N 355.442 1.593 0 50 FDAA COc1ccccc1CN1C[C@@H](C(=O)N(C)CCn2ccnc2)CCC1=O 11753734 BEXSSZHZJMZIRA-KRWDZBQOSA-N 370.453 1.789 0 50 FDAA COC(=O)c1cccc(CN2CCN(C(=O)c3ccco3)CCC2=O)c1 14888686 YWOZZWUCEODBEK-UHFFFAOYSA-N 356.378 1.941 0 50 FDAA COc1cccc(-n2nnnc2SCC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 16577663 YSSAFMKEHAEIND-VXGBXAGGSA-N 363.443 1.399 0 50 FDAA CN1CCN(C(=O)/C(=C\c2ccc(O)cc2)NC(=O)c2ccccc2)CC1 5059138 UGJIUSWDHXVDJD-XDJHFCHBSA-N 365.433 1.937 0 50 FDAA CCc1c(C)sc(NC(=O)CSc2nnnn2C)c1C(=O)OC 6731039 UOULUFYEUJFJCT-UHFFFAOYSA-N 355.445 1.660 0 50 FDAA CN1CCn2nc(C(=O)NC[C@@H]3CCCN(Cc4ccco4)C3)cc2C1=O 1857675376 VRQKCQRDJDYFMX-AWEZNQCLSA-N 371.441 1.204 0 50 FDAA O=C(CN1CCc2[nH]nc(-c3ccccc3)c2CC1)NC[C@H]1CCCO1 1857701518 MHWKULDLSXXDBW-MRXNPFEDSA-N 354.454 1.773 0 50 FDAA Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CCC[C@H](NC(=O)CO)C1 1857706633 XUHNMQCGWYAFRP-LSDHHAIUSA-N 357.410 1.800 0 50 FDAA COC(=O)c1cccc(CN2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)n1 1857707560 CQOALTNVAJIDKZ-FCEWJHQRSA-N 359.426 1.426 0 50 FDAA CN(C)C(=O)C[C@H]1CN2C[C@H](n3ccnc3-c3cccc(O)c3)C[C@H]2CO1 1857730948 DSENTFWLDYTRQL-RYRKJORJSA-N 370.453 1.748 0 50 FDAA Cc1nc(CN(C)[C@H]2CCCN(C(=O)CC3(O)CCCC3)CC2)no1 328629251 IBHZZBWINRXNAI-HNNXBMFYSA-N 350.463 1.886 0 50 FDAA CN1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(Br)o3)[C@@H]2C1 408025494 AEAIJWLVWXFYAA-ZJUUUORDSA-N 365.249 1.136 0 50 FDAA CCCS(=O)(=O)NC1CCN(C(=O)[C@H](C2CC2)N2CCCC2)CC1 123336829 QCRZWCXLIBSPHA-INIZCTEOSA-N 357.520 1.181 0 50 FDAA Cn1nc([C@@H]2CCCOC2)cc1NC(=O)N1CCOC2(CCOCC2)C1 333482577 YAYGVHWWOBREBM-CQSZACIVSA-N 364.446 1.727 0 50 FDAA COc1ccc(C2(C(=O)N3CC[C@](O)(C(N)=O)C3)CC3(CCC3)C2)cc1 368614905 OMRWJEHZBQWWHA-HXUWFJFHSA-N 358.438 1.346 0 50 FDAA CCN1CC[C@H](C(=O)N2CCC23CCN(C)CC3)[C@H](c2ccnn2C)C1 2325756198 KJYHWOKHIHRFJD-DLBZAZTESA-N 359.518 1.542 0 50 FDAA N[C@@H](COC1CCOCC1)C(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 2325790627 YZGXALOOQRMMMY-ZBFHGGJFSA-N 368.861 1.843 0 50 FDAA Cc1[nH]nc(C(=O)NCCN(C(=O)[C@@H](C)C2(O)CCC2)C2CC2)c1Cl 2325829757 RHINYUJTPZSEOX-SNVBAGLBSA-N 368.865 1.643 0 50 FDAA Cc1cccnc1C(=O)NC[C@@H](C)N(C)C(=O)c1cccc2nccn12 2325839403 RXKXAYUYUNLYRX-CQSZACIVSA-N 351.410 1.928 0 50 FDAA COc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(OC)c1 1088681 IVCMKAFQZWVXQQ-UHFFFAOYSA-N 364.423 1.324 0 50 FDAA biogenic CCCN1CCC[C@]2(CCCN2S(=O)(=O)c2c(C)n[nH]c2C)C1=O 2356152049 OEWSTVXAWSEYMO-INIZCTEOSA-N 354.476 1.582 0 50 FDAA CO[C@H]1CC[C@H](NC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2)CC1 2356156269 ZNBANGUFTDYGLN-KZNAEPCWSA-N 359.470 1.451 0 50 FDAA Cn1nccc1CCC(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 119646306 ICVPQVXDHVRESJ-UHFFFAOYSA-N 358.417 1.867 0 50 FDAA C[C@@H](C(=O)N1CCN(C)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O 20568038 YOSUPPJBJBYHTC-LBPRGKRZSA-N 359.879 1.269 0 50 FDAA Cc1cc(C)n(CCC(=O)N(C)Cc2nc(-c3ccncc3)no2)c(=O)n1 55575904 FVJCZNQCBCBUJE-UHFFFAOYSA-N 368.397 1.354 0 50 FDAA NC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1 9667464 VIZYWGIQOFHXTL-HNNXBMFYSA-N 369.396 1.954 0 50 FDAA Cc1nc2[nH]cc(C(=O)N3CCN(c4ccccc4C)C[C@H]3C)c(=O)n2n1 101820687 HLNHNHQOXQGIPB-CYBMUJFWSA-N 366.425 1.385 0 50 FDAA COc1ccc(-c2ccnc3c2c(=O)[nH]c(=O)n3C[C@@H]2CCCO2)cc1 10157280 CAGACIVPCTZAGK-AWEZNQCLSA-N 353.378 1.939 0 50 FDAA CNC(=O)c1n[nH]c2c1[C@@H](c1c(Cl)nc3sccn13)CC(=O)N2 65383477 ZAMXQWCJDWVWFZ-YFKPBYRVSA-N 350.791 1.606 0 50 FDAA COc1cc2cc(CN3CCC(NC(C)=O)CC3)c(=O)[nH]c2cc1OC 67771760 PALCGDBQKREWCH-UHFFFAOYSA-N 359.426 1.646 0 50 FDAA CCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1ccc(Cn2nc(C)cc2C)cc1 67459379 WXAJMJPSQVPJKX-MSOLQXFVSA-N 369.469 1.226 0 50 FDAA Cc1cnc(C)c(N2CCC([C@@]3(c4cccnc4)NC(=O)NC3=O)CC2)n1 67955480 KXWGVYIIKIVZQR-IBGZPJMESA-N 366.425 1.440 0 50 FDAA CN(Cc1nc(-c2ccccn2)no1)c1nccc(N2CCC[C@H](O)C2)n1 65373362 RVRWGCSSVCQXTF-ZDUSSCGKSA-N 367.413 1.519 0 50 FDAA CCc1ncnc(N2CCC[C@@H](N(C)Cc3nccc(N)n3)CC2)c1F 328634010 MIXIZCXAUHRNGI-CYBMUJFWSA-N 359.453 2.041 0 50 FDAA CCOCc1nc2c(c(N3CC(N4CCCC[C@@H]4C)C3)n1)CCNCC2 72447422 QHERDSDZVQBHAJ-HNNXBMFYSA-N 359.518 1.764 0 50 FDAA CS(=O)(=O)c1ccc(CN2CCN(c3ccc4nccn4n3)CC2)cc1 214967613 MUNMTNBIJIGZCX-UHFFFAOYSA-N 371.466 1.455 0 50 FDAA NC(=O)NCC(=O)N1CCC[C@H](C(=O)c2cccc(C(F)(F)F)c2)C1 72148326 FWBOUHULLZHXIP-NSHDSACASA-N 357.332 1.795 0 50 FDAA O=S1(=O)CC[C@H](n2nccc2NS(=O)(=O)c2cccc(F)c2)C1 174027293 BARCYJDVKGYWAB-NSHDSACASA-N 359.404 1.183 0 50 FDAA Cc1noc2ncnc(N3CCC(c4nnc(CN(C)C)n4C)CC3)c12 77518826 BDWJYBPFXBGDIU-UHFFFAOYSA-N 356.434 1.500 0 50 FDAA C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCC2(CCN(C)C2=O)CC1 365480759 IIVLIRPMIYHFNK-AWEZNQCLSA-N 370.453 1.305 0 50 FDAA O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCC2(C1)Oc1ccccc1O2 365676268 GOOBAMRQEUGAMN-GFCCVEGCSA-N 354.366 1.163 0 50 FDAA CS(=O)(=O)[C@H]1CCCCN(S(=O)(=O)C[C@H]2CCCC2(F)F)C1 333260146 AWRPRPPGWWGSMC-NEPJUHHUSA-N 359.460 1.651 0 50 FDAA O=C([C@H]1CCCN(Cc2ncnn2-c2ccccc2)C1)N1CCOCC1 369202084 GJIOWXYEZNXWEW-INIZCTEOSA-N 355.442 1.338 0 50 FDAA CCCc1ccc(C(=O)NC[C@@H]2CCN(c3cnn(C)c(=O)c3)C2)cc1 77420554 IMSASEKJOJDPIQ-INIZCTEOSA-N 354.454 1.989 0 50 FDAA Cc1cc(C(=O)N2CCC3(CC2)C[C@H](C(=O)O)N(C(=O)C2CC2)C3)n(C)n1 72477880 RYFLEEJTTBNXQR-OAHLLOKOSA-N 374.441 1.046 0 50 FDAA O=C(CCc1cc(O)no1)N1CCC[C@@]2(CCC(=O)N(CC3CC3)C2)C1 77302253 FORIDQNBMHTMSH-LJQANCHMSA-N 361.442 1.954 0 50 FDAA O=C(O)c1cc(-n2ncc3cccnc32)cc(S(=O)(=O)N2CCCC2)c1 71751991 ZAWHTENFIUGAIG-UHFFFAOYSA-N 372.406 1.903 0 50 FDAA O=C(O)[C@@H]1COCCN1C(=O)c1cc2ccc(Br)cc2[nH]1 262450329 HEROHXRJCVSNLO-LBPRGKRZSA-N 353.172 1.856 0 50 FDAA Cc1ncc(C(=O)NCCN2CCC[C@@H](C(N)=O)C2)c(-c2ccccc2)n1 215404285 SWELKKTTXYKINP-MRXNPFEDSA-N 367.453 1.379 0 50 FDAA COc1nc2c(cc1CNC(=O)c1cnccn1)C(=O)N(C1CCCC1)C2 71639230 QZLFXQGTMTVZFC-UHFFFAOYSA-N 367.409 1.709 0 50 FDAA CCc1nn(C)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 378397156 PIHIUENBYGSWAK-LLVKDONJSA-N 356.382 1.703 0 50 FDAA O=C(NCCO)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 71278661 VVUMEOIRLRSHLC-MRXNPFEDSA-N 366.465 1.957 0 50 FDAA Cc1ccc2c(=O)cc(C(=O)N3CCc4c(nc(C)[nH]c4=O)C3)oc2c1 72133870 MKOXGTACVDDIEJ-UHFFFAOYSA-N 351.362 1.692 0 50 FDAA COc1ccc([C@H](N)CC(=O)N2CCc3c(nc(C)[nH]c3=O)C2)cc1OC 71749654 AKVOCICVDBDRPY-CQSZACIVSA-N 372.425 1.070 0 50 FDAA CC(=O)N1CCC[C@@](O)(C(=O)NCc2nc3ccccc3n2C(C)C)C1 286076120 CQSUMFTVOBIBOU-IBGZPJMESA-N 358.442 1.607 0 50 FDAA COC(=O)c1n[nH]cc1CN1CCN(C(=O)c2cccc(OC)c2)CC1 72163916 MORBEKZSRVFGRR-UHFFFAOYSA-N 358.398 1.163 0 50 FDAA CNC(=O)[C@@H]1CCN(c2nc(-c3ccccc3)nc3c2CCNCC3)C1 72447329 ROKDPAQMFCLGOV-OAHLLOKOSA-N 351.454 1.404 0 50 FDAA COc1ccnc(CNC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)c1 221273981 NDHAVUCIXKDVHH-LJQANCHMSA-N 355.438 1.998 0 50 FDAA Cn1cnc(-c2cccc(NC(=O)N3CCN(C4CCOCC4)CC3)c2)n1 161656828 UORDXNLUHSMVMH-UHFFFAOYSA-N 370.457 1.811 0 50 FDAA Cc1cc(C(=O)NC[C@@H]2CCCN2)ccc1NS(=O)(=O)C(F)(F)F 178744253 IXJUMNPEYLEGRA-NSHDSACASA-N 365.377 1.738 0 50 FDAA Cc1cc(C)nc(CCNC(=O)N2CCC[C@H](C(=O)c3nccn3C)C2)n1 426623037 QLWLJDSIHRPCRZ-HNNXBMFYSA-N 370.457 1.674 0 50 FDAA COC[C@H]1CCCN(C(=O)c2ccc(N(C)Cc3cnn(C)c3)nc2)C1 20776084 BTQWDQRHDVZGJV-HNNXBMFYSA-N 357.458 1.950 0 50 FDAA CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3ccc(O)cc3)cc2)[C@H](O)C1 426635328 JOPBQGISWMCVNF-RTBURBONSA-N 354.406 1.771 0 50 FDAA CS(=O)(=O)N1CCc2[nH]cnc2C12CCN(Cc1cccnc1)CC2 91587304 CTXYXERGRVUOLS-UHFFFAOYSA-N 361.471 1.114 0 50 FDAA NS(=O)(=O)c1ccc(Cl)c(NC(=O)NCCCN2CCCC2=O)c1 95500394 TZZNCANZHRMKDF-UHFFFAOYSA-N 374.850 1.121 0 50 FDAA CN1CC[C@H]2CN(C(=O)c3cc(=O)c4ccccc4o3)C[C@@]2(C(=O)O)C1 91650960 FWLHSGRWRDIEQL-BUXKBTBVSA-N 356.378 1.272 0 50 FDAA O=C([C@@H]1CCCN(Cc2ccco2)C1)N1CCN(c2cnccn2)CC1 95362829 UTEANTYOFKPANY-MRXNPFEDSA-N 355.442 1.630 0 50 FDAA O=S(=O)(Cc1noc2ccccc12)N1CCN(Cc2ccon2)CC1 180417423 OXOPWFYJORXQOA-UHFFFAOYSA-N 362.411 1.463 0 50 FDAA O=C1C[C@@H](C(=O)O)C2(CCN(c3cc(C(=O)O)c4ccccc4n3)CC2)N1 95367541 HJETZZARIKFLRB-ZDUSSCGKSA-N 369.377 1.493 0 50 FDAA CNc1nc(N2C[C@H](C3CC3)[C@@H](NC(=O)CCSC)C2)ncc1F 91781736 CYQMQOGAULCDDO-YPMHNXCESA-N 353.467 1.742 0 50 FDAA CC(C)CN1CC2(CCN(C(=O)c3cn4cccnc4n3)CC2)CC1=O 95388121 SLPKLLMNTIWZIF-UHFFFAOYSA-N 355.442 1.840 0 50 FDAA O=C1CCC2(CCN(S(=O)(=O)c3cn[nH]c3)CC2)CN1C1CCCC1 92046127 GIPUODPDUQZIAW-UHFFFAOYSA-N 366.487 1.746 0 50 FDAA O=C(Cc1ccc(-n2cnnn2)cc1)N1CCN(C2CCSCC2)CC1 97347299 LWFSURGZIDNWFB-UHFFFAOYSA-N 372.498 1.245 0 50 FDAA O=S1(=O)CC[C@@H](n2nc(-c3ccncc3)nc2CCCn2cccn2)C1 96140344 WAVTVEOJALUVDG-OAHLLOKOSA-N 372.454 1.529 0 50 FDAA C[C@@H](C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1)n1c(O)nc2ccccc2c1=O 238950702 ZJZFKKOAYTYNQF-AVGNSLFASA-N 373.409 1.670 0 50 FDAA COCCN(C)C[C@@H]1CN(C(=O)C2(c3ccc(C)cc3)CC2)C[C@@H]1CO 91519181 CZONAZCVCIJJKV-QZTJIDSGSA-N 360.498 1.672 0 50 FDAA COCCN1CCC[C@@]2(CCN(Cc3nnc(-c4ccco4)o3)C2)C1=O 92001491 UQMOJGKVVBPKEQ-SFHVURJKSA-N 360.414 1.791 0 50 FDAA CN(CCC(=O)NCCc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 242822447 FLQJZKPDFLUIDP-OAHLLOKOSA-N 358.891 1.508 0 50 FDAA Nc1nc(N2CCN(c3ncccc3Cl)CC2)cc([C@H]2C[C@@H](O)C2)n1 244723636 MEVSDGWLFGERPG-TXEJJXNPSA-N 360.849 1.672 0 50 FDAA Cn1cccc(C(=O)N[C@H]2C[C@H](c3cc(N4CCCC4)ncn3)C2)c1=O 252550121 RZORPDHVKGXMOW-HDJSIYSDSA-N 353.426 1.452 0 50 FDAA CO[C@H](C(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1)C1CC1 298657464 SQXUUDABCGCXLE-KBPBESRZSA-N 367.243 1.874 0 50 FDAA C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@H]2C(=O)O 257350277 WBGZYOIFCRLSRY-KDGRZGFDSA-N 368.470 1.293 0 50 FDAA C[C@H](C(=O)N[C@@H](CO)c1cccc(Br)c1)N1CCN(C)CC1 183913398 OUURDYTWDYABCA-DOMZBBRYSA-N 370.291 1.235 0 50 FDAA COc1ccc(N2C[C@@H](NC(=O)CCc3n[nH]c(C)c3C)CC2=O)cc1 299769048 INRPHSNGDKWJRU-AWEZNQCLSA-N 356.426 1.889 0 50 FDAA CSc1ncccc1C(=O)NCc1cc2n(n1)CCN(C(=O)C(C)C)C2 299798043 UNURLGAYPGIUSF-UHFFFAOYSA-N 373.482 1.928 0 50 FDAA COc1cccc(F)c1C(=O)NCc1cc2n(n1)CCN(C(=O)C(C)C)C2 299793417 HURRRNUCIHTINM-UHFFFAOYSA-N 374.416 1.959 0 50 FDAA COc1cccc2c1OC[C@@H](NC(=O)c1ccc3c(=O)n(C)cnc3c1)C2 824804679 CLICRFOIGONGKG-AWEZNQCLSA-N 365.389 1.676 0 50 FDAA CN1CCN(CC(=O)N2CCC([C@H](O)CCc3ccccc3)CC2)C1=O 584884198 JRDBHPDOBSWMMD-GOSISDBHSA-N 359.470 1.586 0 50 FDAA COC[C@@H]1CCCN(S(=O)(=O)NCc2nc3ccc(OC)cc3[nH]2)C1 670472319 DTWOKUMDNAEFHF-GFCCVEGCSA-N 368.459 1.264 0 50 FDAA O=C(NCCc1cnn[nH]1)N1CCN(c2nc3ccccc3s2)CC1 670451160 UNYJHBJQNCPJTL-UHFFFAOYSA-N 357.443 1.489 0 50 FDAA Cc1ccsc1C(=O)NC1CCN(C2CCS(=O)(=O)CC2)CC1 670455381 BWJWDHASAUFBQK-UHFFFAOYSA-N 356.513 1.828 0 50 FDAA 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Cc1nc2c(C(=O)N(C)c3ccc(N4CCOCC4)nc3)ccnc2[nH]1 333289525 RFWGIXLZPGYVBI-UHFFFAOYSA-N 352.398 1.775 0 50 FDAA CNS(=O)(=O)c1cccc2c1CCN(c1nccnc1OC(C)C)C2 376472674 FJFPODISRXEUIC-UHFFFAOYSA-N 362.455 1.735 0 50 FDAA NCCCNC(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71721691 RPBDHASGLNEQJD-GOSISDBHSA-N 359.518 1.223 0 50 FDAA Cn1cnnc1CCC(=O)N1CCN([C@H]2CCc3ccccc3C2)CC1 72149049 JRUOAWDVYFSPAS-SFHVURJKSA-N 353.470 1.449 0 50 FDAA CNC(=O)c1ccnc(N2CCC[C@@]3(CCC(=O)N(CCN(C)C)C3)C2)c1 72458116 PETNTXHEVIWVMT-HXUWFJFHSA-N 373.501 1.212 0 50 FDAA CCn1ccc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(=O)O)cc2)n1 219919707 JZUYPXYBDIEVCA-GDBMZVCRSA-N 359.382 1.568 0 50 FDAA O=C(c1ccc(CSc2nnc[nH]2)o1)N1CCC(c2nnc[nH]2)CC1 219566258 GTLQEUFBWIEAHJ-UHFFFAOYSA-N 359.415 1.828 0 50 FDAA Cc1ccccc1CN1CCN(C(=O)NC(C)C)[C@H]2CS(=O)(=O)C[C@H]21 72480952 UNQDHIQIDVHHKO-SJORKVTESA-N 365.499 1.396 0 50 FDAA Cn1cc([C@H]2CN(CCc3nc4ccccc4n3C)C[C@@H]2C(N)=O)cn1 286843312 USNAIHUBFBMIIG-CABCVRRESA-N 352.442 1.050 0 50 FDAA CN(C)C[C@]1(O)CCCN(S(=O)(=O)N(C)Cc2ccccc2)CC1 72148610 PMTXSTPPMGOYGL-KRWDZBQOSA-N 355.504 1.142 0 50 FDAA CNC(=O)[C@]1(C)CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)C1 288177403 PZGMUQGGQCSZGM-XAUMDUMWSA-N 358.486 1.817 0 50 FDAA O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NC1Cc2ccccc2C1 49543815 DMDQVSZFMMAFKL-BQFCYCMXSA-N 359.495 1.996 0 50 FDAA biogenic Cc1ccc(N2CCN(C(=O)CC[C@@H](C)N3CCOCC3)CC2=O)cc1 82097908 KAVARBKOPROIBB-QGZVFWFLSA-N 359.470 1.671 0 50 FDAA CS(=O)(=O)C1CCC(NC(=O)Nc2cccc(-n3ccnn3)c2)CC1 178235680 HOHHWSCLKVBKIW-UHFFFAOYSA-N 363.443 1.745 0 50 FDAA O=S(=O)(N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1)N1CCCC1 222443799 HMBPQMACABMMMA-JFUPDXTOSA-N 361.467 1.977 0 50 FDAA Nc1nc(N2CCC(Oc3cccc(F)c3)(C(=O)O)CC2)c2nc[nH]c2n1 82125573 YLICQTPPOXHVFS-UHFFFAOYSA-N 372.360 1.577 0 50 FDAA Cc1ccccc1OC1CCN(C(=O)CN2CCC(C(N)=O)CC2)CC1 91519369 RCAYKRVODDZGEN-UHFFFAOYSA-N 359.470 1.562 0 50 FDAA CC(C)N1C[C@@H](NC(=O)N(C)Cc2cc(-c3cccnc3)no2)CC1=O 426551804 MBIHMEGAEPTCBU-AWEZNQCLSA-N 357.414 1.887 0 50 FDAA Cc1nc(C)n(C[C@H](C)C(=O)N2CCC(CCN3CCCC3=O)CC2)n1 91914610 ZVRLOYVOMRYRLA-AWEZNQCLSA-N 361.490 1.782 0 50 FDAA C[C@@H]1CCCCN1C1CN(C(=O)c2ccccc2N2CCC(=O)NC2=O)C1 95356274 WCUYFTFAQRHFDP-CQSZACIVSA-N 370.453 1.832 0 50 FDAA CC(C)N1CCC[C@]2(CCN(C(=O)c3nc(N)nc4c3CCCC4)C2)C1=O 91603612 HZGSTRVTJZVPAM-HXUWFJFHSA-N 371.485 1.801 0 50 FDAA COc1cccc(OC[C@H](O)CNC(=O)c2cc(=O)[nH]c3ccccc23)c1 97730288 KVKXWCPBFNOBLC-CYBMUJFWSA-N 368.389 1.706 0 50 FDAA NC(=O)Cn1ccnc1C1CCN(C(=O)[C@H]2Cc3ccccc3S2)CC1 95526356 KPKMCKFROGSMNO-MRXNPFEDSA-N 370.478 1.791 0 50 FDAA COCCN1CC2(CCC1=O)CCN(S(=O)(=O)c1ccccc1)CC2 91872054 IJPAOYKVZYECRJ-UHFFFAOYSA-N 366.483 1.726 0 50 FDAA COCCN(Cc1ccccn1)C(=O)c1ccc(CN2CCN(C)CC2)o1 97436758 FDAXPIZMKLDHHJ-UHFFFAOYSA-N 372.469 1.711 0 50 FDAA COCC(=O)N1CCC(C(=O)N2CCC[C@H]2c2nc(C(C)C)no2)CC1 91439891 UVLUFXCRMKSAFI-AWEZNQCLSA-N 364.446 1.742 0 50 FDAA CCN1CC2(CCN(C(=O)c3ccc(-n4cnnc4)cc3)CC2)CC1=O 95526398 WOGLXDNDUFBSGV-UHFFFAOYSA-N 353.426 1.742 0 50 FDAA 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1.096 0 50 FDAA O=C(c1cnc(CN2CCCC2)s1)N1CCN(c2ncccn2)CC1 97528029 XWYXVWYLWLZKDB-UHFFFAOYSA-N 358.471 1.491 0 50 FDAA COc1ccc2nc(CCN=c3cc([C@H]4CCOC4)nc(N)[nH]3)[nH]c2c1 426429060 XIWBGFPXIZHCDS-NSHDSACASA-N 354.414 1.524 0 50 FDAA O=C(NCc1noc(C2CCCC2)n1)[C@@H]1CC(=O)N(Cc2cccnc2)C1 95497310 WUKWBKLKYRXWKI-OAHLLOKOSA-N 369.425 1.787 0 50 FDAA O=C(c1ccc(F)c(F)c1)N1C[C@H](CO)[C@H](CN2CCC(O)CC2)C1 91656404 YCDFDKYCRRYNLQ-ZIAGYGMSSA-N 354.397 1.102 0 50 FDAA O=C(O)[C@@H]1CN(C(=O)c2cc(C(F)(F)F)n[nH]2)C[C@H]1c1ccncc1 91665612 NTZNZXVUVOTOPV-VHSXEESVSA-N 354.288 1.764 0 50 FDAA CN1CCN(Cc2nnc(C3CCN(C(=O)C4CCCC4)CC3)n2C)CC1 91551086 OSTQHKFWRVAHBI-UHFFFAOYSA-N 374.533 1.459 0 50 FDAA Cc1nnsc1CN1CCC[C@H](c2nnc(Cn3cccn3)n2C)C1 95387461 GVGBWNDFIFOAAR-ZDUSSCGKSA-N 358.475 1.599 0 50 FDAA O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ncccc1O)C2 95379929 GIJKRABLNHISRD-UONOGXRCSA-N 352.394 1.559 0 50 FDAA COc1cccc2c1OC[C@H](C(=O)NCc1nc(-c3cnccn3)n[nH]1)C2 95369783 SPNDODLRIGXMOV-GFCCVEGCSA-N 366.381 1.138 0 50 FDAA O[C@]12CCNC[C@H]1CN(C1CCN(c3ccc(F)c(F)c3)CC1)CC2 91664195 ZEFCPBHNCCFSAW-LIRRHRJNSA-N 351.441 1.980 0 50 FDAA Cc1nn(C)c(C)c1CN(C(=O)c1cnc(N2CCOCC2)nc1)C1CC1 97694821 WKTDZQHRNDXECL-UHFFFAOYSA-N 370.457 1.468 0 50 FDAA COc1coc(C(=O)N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)cc1=O 91679631 HZRMTMFYUBPKSL-IBGZPJMESA-N 360.410 1.513 0 50 FDAA CCc1n[nH]c(SCC(=O)N2CCC([C@H](O)c3ccccn3)CC2)n1 244723625 MERCSSHGCPGWNH-INIZCTEOSA-N 361.471 1.826 0 50 FDAA CCn1nccc1S(=O)(=O)N[C@@H](c1ccc(OC)nc1)[C@H]1C[C@@H](O)C1 244811531 SGFVCCBSCYJSTC-ZENOOKHLSA-N 366.443 1.097 0 50 FDAA CC[C@@H]1CN(c2ccccc2)CCN1C(=O)CCC(=O)N1CCC(O)CC1 184272403 JJMZZDJMCVLTGV-QGZVFWFLSA-N 373.497 1.877 0 50 FDAA O=C(O)[C@@H]1CN(S(=O)(=O)c2cncc(Cl)c2)C[C@H]1C(F)(F)F 299741275 DINQYBOUIUDWBG-RKDXNWHRSA-N 358.725 1.619 0 50 FDAA CSCC[C@H](CO)NC(=O)Cc1c(C)c2ccc(O)cc2oc1=O 252538248 MTHWSDUAAYJSOR-LLVKDONJSA-N 351.424 1.580 0 50 FDAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2cc(O)ccc2C)C1 252552462 USWTUMSMOVKEOO-BETUJISGSA-N 360.414 1.107 0 50 FDAA O=C(C[C@H]1CNCCO1)NC1CCN(Cc2ccc(F)c(F)c2)CC1 269248917 ODIUJSJQRVZKEG-HNNXBMFYSA-N 353.413 1.424 0 50 FDAA CCN(CC)C(=O)CN1C(=O)N[C@@H](c2ccc(OC)cc2)C2=C1COC2=O 263618914 WDIUGHZRXFJPSK-KRWDZBQOSA-N 373.409 1.441 0 50 FDAA Cn1c(=O)[nH]cc(CCN2CCc3onc(-c4ccccc4)c3C2)c1=O 67975796 BSMLOWIJCKSHMQ-UHFFFAOYSA-N 352.394 1.329 0 50 FDAA Cc1noc(C)c1CCC(=O)N1CCN(c2ccnc3nncn23)CC1 299800831 VXVUQYKQMSWRDO-UHFFFAOYSA-N 355.402 1.011 0 50 FDAA Cc1cc(N)n(CC(=O)N2CCC[C@@]3(C2)C(=O)N(C)c2ccccc23)n1 299788538 QRDTXZSDBOKVQG-IBGZPJMESA-N 353.426 1.311 0 50 FDAA O=C(NCCc1nc(-c2ccccn2)no1)[C@@H]1CCCN1C(=O)C1CC1 299793127 KJAXPZYXCYYPFU-AWEZNQCLSA-N 355.398 1.191 0 50 FDAA Cn1nc(-c2cccnc2)cc1NC(=O)N[C@H]1COC[C@@H]1N1CCCC1 299764790 LMRKKOBCZUAABF-HOTGVXAUSA-N 356.430 1.467 0 50 FDAA CNC(=O)[C@H]1CCN(C(=O)c2cccc(-c3ccc(O)c(CO)c3)c2)C1 299777732 FJMXDWQOISIKNV-INIZCTEOSA-N 354.406 1.760 0 50 FDAA NC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1ccn(Cc3ccccc3)c1)C2 952850336 KNPXOPQVVXIIAI-XLIONFOSSA-N 353.422 1.500 0 50 FDAA CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cn(CCN)nn1 952993370 RSHFERLEIRGEQN-UHFFFAOYSA-N 371.228 1.254 0 50 FDAA Cc1cccc2nc([C@@H]3CN(Cc4cc(=O)n5nccc5[nH]4)CCO3)cn12 1875268361 KISRLMQBDOZFQZ-INIZCTEOSA-N 364.409 1.552 0 50 FDAA O=C(C[C@H](Cc1ccccc1)C(=O)O)NCc1cccc2c1NC(=O)CO2 1875323600 MYHABJXHALLMKK-HNNXBMFYSA-N 368.389 1.967 0 50 FDAA C=CC(=O)N1CCC[C@@H](C(=O)N[C@]2(C(=O)OC)COc3ccccc3C2)C1 1875370905 IIMPZTZLRDWCRK-QRWLVFNGSA-N 372.421 1.074 0 50 FDAA COC(=O)/C=C/C(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 1875379145 NGJPUMBUKABAPD-VOTSOKGWSA-N 351.790 1.745 0 50 FDAA NC(=O)CN1CCC[C@H](C(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 952963473 KKJWZNLJECNIPJ-GXTWGEPZSA-N 373.375 1.052 0 50 FDAA CN(CCN(C)S(=O)(=O)c1ccc2oc(=O)n(C)c2c1)C1CCCC1 952979667 DWVYVLRMBPASOQ-UHFFFAOYSA-N 367.471 1.626 0 50 FDAA COCC(=O)N1CC[C@H](NC(=O)c2c(F)ccc(C)c2Cl)[C@@H](O)C1 1565508461 ASUIWJDEHOGCJQ-RYUDHWBXSA-N 358.797 1.126 0 50 FDAA C[C@@H](NC(=O)[C@H]1CCCN1C(=O)C(F)(F)F)c1ccc(NC(N)=O)cc1 170600651 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OTMBGAAQOHWBGC-IBGZPJMESA-N 368.518 1.779 0 50 FDAA CCN1C[C@H](CN(C)Cc2cnc(S(C)(=O)=O)n2CC(C)C)CC1=O 12446445 YWHRNEMXIGLBMZ-AWEZNQCLSA-N 370.519 1.243 0 50 FDAA COCc1cc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3F)C2)[nH]n1 15933815 ZMOHUSUSYUNDEM-CQSZACIVSA-N 374.416 1.750 0 50 FDAA COc1ccccc1NC1=N[C@]2(N=C(N)N1)C(=O)N(C)c1ccccc12 19327593 YOFYVEWIDRCGHN-SFHVURJKSA-N 350.382 1.210 0 50 FDAA C[C@@](CN1CCNCC1)(NS(=O)(=O)c1ccccc1)c1ccccc1 19830913 FVMHRIIKBTULDQ-IBGZPJMESA-N 359.495 1.786 0 50 FDAA CCc1noc(-c2cn([C@H]3CCN(C(=O)c4cc(C5CC5)n[nH]4)C3)nn2)n1 169777975 GVILFSRLGQOWBM-NSHDSACASA-N 368.401 1.578 0 50 FDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3ncccc3F)C2)n1 1857528216 KNDPDLMYWSRRDO-CYBMUJFWSA-N 358.421 1.356 0 50 FDAA COCCc1noc([C@@H]2CCCCN2C(=O)c2ccn3ncnc3c2)n1 1857676913 ZFSANCGAPOPQJY-ZDUSSCGKSA-N 356.386 1.669 0 50 FDAA O=C(Cn1ccnc1-c1ccccc1)N1CC[C@H](O)[C@@]2(CCCNC2=O)C1 1857685128 COZKJTBWTLGVFW-OXJNMPFZSA-N 368.437 1.040 0 50 FDAA Cc1ccc2c(c1)CCCN2C(=O)CN1CCC2(CC1)CC(=O)NCCO2 1857688130 VCXLZQXLNOCOTN-UHFFFAOYSA-N 371.481 1.645 0 50 FDAA CN1CC2(CCN(C(=O)c3ccc4c(c3)CCCO4)CC2)OCCC1=O 1857714769 KZXHWHYQCUPPPM-UHFFFAOYSA-N 358.438 1.865 0 50 FDAA O=C(CCc1cccnc1)N1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1 1857722880 RJXLXYDAUZGKFC-FPOVZHCZSA-N 372.440 1.968 0 50 FDAA O=C1COc2c(Cl)cc(NC(=O)c3cn4c(n3)CCNCC4)cc2N1 1857725249 YLMMLJIXJCBHPF-UHFFFAOYSA-N 361.789 1.265 0 50 FDAA Cn1cc(CN2CC3(CCN(C[C@H]4CCOC4)CC3)OCCC2=O)cn1 1857731709 XYOWLURUPRBEQA-MRXNPFEDSA-N 362.474 1.040 0 50 FDAA Cc1nc2ccc(C(=O)N3CC[C@@]45OCCCN4C(=O)C[C@@H]35)cc2nc1C 1857735725 IEQBRSZHYNDZII-XLIONFOSSA-N 366.421 1.810 0 50 FDAA O=C(O)c1cc2n(n1)CCN(CC1(N3CCOCC3)CCCCC1)C2=O 1875241204 QLSLWBHPMWPSFM-UHFFFAOYSA-N 362.430 1.072 0 50 FDAA CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCN(C)[C@H](c2nc(C3CC3)no2)C1 375912369 BBSLADQKDCWQFM-CQDKDKBSSA-N 363.462 1.313 0 50 FDAA O=C(c1nc2ncc(Br)cn2n1)N1C[C@H](CO)c2ccccc21 498253048 LKTSQKIIOLQEJP-SECBINFHSA-N 374.198 1.623 0 50 FDAA Cc1ccc(S(=O)(=O)N2CC[C@@H](O)[C@@](CC3CC3)(C(=O)O)C2)cc1C 1704299190 OAKNMRRMBXQLIK-AEFFLSMTSA-N 367.467 1.930 0 50 FDAA CC(C)CN1C[C@H]2COC[C@@H]1CN(C(=O)c1nnc(O)c3ccccc13)C2 1704313086 NFMXPPMMCAXXHB-CABCVRRESA-N 370.453 1.764 0 50 FDAA Cn1cc([C@@H](O)C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)cn1 837731348 VFQHFLNWWGOWKU-GOSISDBHSA-N 354.362 1.792 0 50 FDAA O=C(c1cccc(-c2cn[nH]c2)c1)N1CCC[C@@]12CCCN(CCO)C2=O 2100539366 FMOOBTLTVKJWMQ-HXUWFJFHSA-N 368.437 1.666 0 50 FDAA Cn1cnc2c(C(=O)NC[C@@H]3CC=CC[C@H]3C(F)(F)F)[nH]nc2c1=O 2325786110 ABEVIBYITGVJBX-DTWKUNHWSA-N 355.320 1.531 0 50 FDAA Cc1cnc2nc(C(=O)O[C@H](C)C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)nn2c1 850320994 NAMDJMOMJCGRBT-MRLBHPIUSA-N 371.441 1.919 0 50 FDAA O=C(O)c1ccc(S(=O)(=O)Nc2cnn3cccnc23)c(Cl)c1 2325818433 BGZBSAHTBUZMSR-UHFFFAOYSA-N 352.759 1.882 0 50 FDAA Cn1ccnc1[C@@H]1N(C(=O)c2ccc(-n3nnnc3O)cc2)CC1(C)C 2325821673 MUJPCAKPYKVYNJ-ZDUSSCGKSA-N 353.386 1.325 0 50 FDAA CN(Cc1cnn(-c2ccccc2)n1)C1=NC[C@@H](c2ccc(CO)cc2)N1 2325863525 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359.817 1.984 0 50 FDAA O=C(Cn1ccc2ccccc21)N1CCOC[C@@](O)(CN2CCCC2)C1 77337078 GNLWHUNIQSCTTO-HXUWFJFHSA-N 357.454 1.327 0 50 FDAA NCCCOC1CCN(C(=O)c2cccnc2OCC(F)(F)F)CC1 237825392 JLQNZHCEKKMSBU-UHFFFAOYSA-N 361.364 1.993 0 50 FDAA CN1CCCN(c2cnn(CCCOc3ccc(F)cc3)c(=O)c2)CC1 72128283 LDDVIOMFPLYGFK-UHFFFAOYSA-N 360.433 1.993 0 50 FDAA CN(CCn1cccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CC(C)(C)C)C(=O)[C@H]13)O2 77459129 RZRPFVMBONDOHB-QOIOWGMHSA-N 372.469 1.170 0 50 FDAA Cc1cccc(C(=O)NCC2CCN(c3cnn(C)c(=O)c3)CC2)c1O 77354960 UNUWOKMTXWDMON-UHFFFAOYSA-N 356.426 1.441 0 50 FDAA Cc1cc2ccccc2nc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 372748048 YZUFDKKABGLFQU-UHFFFAOYSA-N 366.425 1.010 0 50 FDAA COC(=O)[C@H]1CCN2C(=O)N(c3ccc(N4CCCCC4)nc3)C(=O)[C@H]2C1 286154184 YTLAJZZAEAOMRU-DZGCQCFKSA-N 372.425 1.792 0 50 FDAA O=C(O)[C@H]1CC12CCN(C(=O)[C@H]1CCCCN1C(=O)c1ccco1)CC2 262404884 ICAKBSRZZHXCJH-ZIAGYGMSSA-N 360.410 1.988 0 50 FDAA CNC(=O)CN1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 72135539 ZJTSRKBDRYYLIH-KRWDZBQOSA-N 350.894 1.672 0 50 FDAA CCCCc1nc(C)cc(NCCNc2nc3c(c(=O)[nH]2)CCNC3)n1 77353639 ASOLYJASXTZCIT-UHFFFAOYSA-N 357.462 1.381 0 50 FDAA CN(C)Cc1nnc([C@@H]2CCCN(C(=O)c3cccc4ccnn34)C2)n1C 72433883 XJKRNYIAUWCESI-CQSZACIVSA-N 367.457 1.544 0 50 FDAA CN(C(=O)c1ncccc1O)[C@@H](C(N)=O)c1cccc(Br)c1 134017059 UQEASFZQSWKVKX-CYBMUJFWSA-N 364.199 1.848 0 50 FDAA CC(C)n1cccc1C(=O)N1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)C1 77323660 JLKJDCHPCQSYEK-RHSMWYFYSA-N 356.426 1.469 0 50 FDAA Cc1c[nH]c(C(=O)N2CCc3ncnc(NC[C@@H]4CCCO4)c3CC2)c1 72476125 ZQGAKJBOBLMSHK-AWEZNQCLSA-N 355.442 1.945 0 50 FDAA NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc2c(c1)OCO2 17075704 RQDOLIWSGQPDAH-UHFFFAOYSA-N 369.402 1.751 0 50 FDAA COc1ccccc1CN1CCn2nc([C@@H](O)c3nccn3C)cc2C1 221178828 IPVWGGSPJDSNRW-GOSISDBHSA-N 353.426 1.723 0 50 FDAA Cn1cc([C@@H](NS(=O)(=O)Cc2ccccc2F)C2CC(O)C2)cn1 222787908 YIHJLGAKJGEUOG-PXCJXSSVSA-N 353.419 1.491 0 50 FDAA CN1CC[C@H](NC(=O)N2CC[C@H](CS(C)(=O)=O)C2)[C@H]1c1ccccc1 292619394 OLDSLLCNZCJADF-BHYGNILZSA-N 365.499 1.508 0 50 FDAA Cc1cccc(=O)n1CCCNC(=O)[C@@H](C)Oc1ccc2c(c1)OCO2 221265022 PIXXWUXLRBVQNJ-CQSZACIVSA-N 358.394 1.859 0 50 FDAA CC(=O)N1CC2(CCN(Cc3cc(C(C)(C)C)[nH]n3)CC2)C[C@H]1C(=O)O 82158157 CSWOPHPHQHNUOY-HNNXBMFYSA-N 362.474 1.995 0 50 FDAA Cn1c(CN2CCOCC2)nnc1[C@@H]1CCCN(CCCn2cccn2)C1 426707448 PZYBZKJTKQKHRY-QGZVFWFLSA-N 373.505 1.114 0 50 FDAA CCc1n[nH]c(SCC(=O)N2C[C@H](CO)[C@H](CN3CCCCC3)C2)n1 91792896 FUQJWROXGOWPGE-ZIAGYGMSSA-N 367.519 1.012 0 50 FDAA CN1CC[C@@]2(CCC1=O)CN(Cc1ccc3nsnc3c1)CCN2C 91269783 PKUFVALHORUAGV-SFHVURJKSA-N 359.499 1.820 0 50 FDAA COc1cc(Cl)cc(OC)c1[C@@H](C(=O)O)N1CCC(C(N)=O)CC1 95386634 TZXNKDKXZAJJQT-AWEZNQCLSA-N 356.806 1.680 0 50 FDAA CN(C)C[C@H]1C[C@H](CO)CN(C(=O)c2cccc(N3CCCC3=O)c2)C1 92080910 UQRDTXADFDRWLO-CVEARBPZSA-N 359.470 1.446 0 50 FDAA COc1cccc(SCC(=O)N2C[C@@H]3CCN(C)C[C@]3(C(=O)O)C2)c1 91780450 DATPYYFDYHADGE-UGSOOPFHSA-N 364.467 1.652 0 50 FDAA Cn1cc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc4c(c3)OCO4)C2)ccc1=O 91706766 GQBKQIINBJPYIS-UONOGXRCSA-N 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368.445 1.054 0 50 FDAA Cc1cc(N2CCn3nc(CNS(C)(=O)=O)cc3C2)c2ccccc2n1 299778419 RWALRAPTWGXONL-UHFFFAOYSA-N 371.466 1.809 0 50 FDAA CC[C@H](NC(C)=O)C(=O)NS(=O)(=O)c1cc(Br)cs1 870358349 XAHAAMBLNCWECS-QMMMGPOBSA-N 369.262 1.230 0 50 FDAA Cc1csc2ncc(C(=O)N[C@H]3C[C@@H](NC(=O)Cc4cnco4)C3)n12 1875407147 UBRYMXXFBSFWMV-PHIMTYICSA-N 359.411 1.312 0 50 FDAA CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCO[C@H](C(F)F)C1 952845059 QSEHXXHQDPIADK-NSHDSACASA-N 368.789 1.818 0 50 FDAA CN1CC[C@H](CNC(=O)N2CC[C@H](C(F)(F)F)[C@H](CN)C2)CC1=O 952852349 ZJRGFHHNGNTSLH-TUAOUCFPSA-N 350.385 1.024 0 50 FDAA N[C@@H]1CN(C(=O)C(F)(F)CCn2ccnn2)CC[C@H]1c1ccc(F)cc1 1875291960 RETXHIBYFCHLJH-LSDHHAIUSA-N 367.375 1.786 0 50 FDAA Cc1nc(-c2cccnc2)nc(O)c1CC(=O)N1[C@H](CO)[C@H]2C=C[C@H]1C2 1875278580 MHSLTJSMPOSCOQ-DUVNUKRYSA-N 352.394 1.243 0 50 FDAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@H](C)C3(O)CCC3)C2)c1C 1875397840 QBBPAEWPHGRCGI-HUUCEWRRSA-N 361.490 1.267 0 50 FDAA CCn1nncc1CNC(=O)c1c2c(nn1CCOC)[C@H](C)O[C@H](C)C2 1875314473 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1.724 0 50 FDAA O=C(N[C@H]1OCCO[C@@H]1NC(=O)c1ccccc1F)c1ccccc1F 16511848 CAFAYFYTASYFFS-ROUUACIJSA-N 362.332 1.824 0 50 FDAA Cc1ccc2c(c1)c(CNC(=O)c1cc3n(n1)CCN(C)C3=O)nn2C 1857676385 RTPSKQJFZDRNFQ-UHFFFAOYSA-N 352.398 1.094 0 50 FDAA NC(=O)Cc1nc([C@@H]2CCn3nccc3C2)n(-c2nc3ccccc3[nH]2)n1 1857682766 RSMNLSKVWGVZNW-LLVKDONJSA-N 362.397 1.098 0 50 FDAA CCCc1nnc(N2C[C@H](C(=O)NCc3ccnc(C)c3)CC2=O)s1 1857712210 GGOUUXLHXKZNMO-CYBMUJFWSA-N 359.455 1.863 0 50 FDAA O=C(c1ccc(-n2cnnc2)cc1)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1875243549 LWMMYCVZIOITMZ-QZTJIDSGSA-N 353.426 1.203 0 50 FDAA O=C(c1cnc2ccccn2c1=O)N1CCO[C@@H](CO)[C@@H]1c1ccccc1 1875247676 OCKCKNUZNDRLJX-WMZOPIPTSA-N 365.389 1.269 0 50 FDAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCn1c(C)cccc1=O)C2 212770598 ZLQUYBPQMNYJQK-MSOLQXFVSA-N 371.481 1.962 0 50 FDAA O=C(CCCn1cncn1)N1C[C@@H]2CC[C@H]1CN(Cc1cccnc1)C2 213232046 RKUAYHSWIXFUEW-MSOLQXFVSA-N 354.458 1.576 0 50 FDAA O=S(=O)(N[C@@H]1[C@H]2COC[C@H]21)c1cc(Br)cc2c1OCC2 330130508 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371.441 1.739 0 50 FDAA COc1ccc(C(=O)N2CCN(Cc3c(C)nn(CCO)c3C)CC2)cc1 72152471 JGOXXTGWYWYOBI-UHFFFAOYSA-N 372.469 1.459 0 50 FDAA COc1ccc(CN2CCN(C(=O)CCCn3cccn3)CC2=O)cc1 77504781 XYQNAFPULXBQAB-UHFFFAOYSA-N 356.426 1.543 0 50 FDAA Cn1cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)c(C(=O)NCc2ccco2)n1 6828057 QFQVMTZFXDUDQI-QWHCGFSZSA-N 374.397 1.773 0 50 FDAA Nc1cc(N2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)ncn1 71721334 XSNXFOQXZHKQDX-UHFFFAOYSA-N 351.414 1.376 0 50 FDAA CN1CCN(C(=O)C2=Cc3cc(F)ccc3OC2)C[C@@H]1c1nccn1C 369522725 ZAQQTFIFHYERPN-MRXNPFEDSA-N 356.401 1.850 0 50 FDAA O=C(NC1CC1)[C@H]1CCCN(C2CCN(c3ncnc4[nH]cnc34)CC2)C1 71760768 UJGFVDKSKVJNRF-ZDUSSCGKSA-N 369.473 1.312 0 50 FDAA NC(=O)[C@@H]1CCCN(CCNC(=O)c2ccc3c4c([nH]c3c2)CCCC4)C1 216356602 CWHJYBYQJUGHGH-OAHLLOKOSA-N 368.481 1.974 0 50 FDAA COc1ccnc(Cn2nc([C@H]3CCCNC3)n(-c3ccccc3)c2=O)c1 71771769 JRQXYQKZHUCOAP-HNNXBMFYSA-N 365.437 1.953 0 50 FDAA Cc1cc(=O)c2ccccc2n1CC(=O)N1CCC2(CC1)CN(C)C(=O)O2 77454981 HVZUFBBKTHGUNI-UHFFFAOYSA-N 369.421 1.753 0 50 FDAA C[C@]1(C2CCN(C(=O)/C=C/c3ccc(C(=O)O)cc3)CC2)NC(=O)NC1=O 378178946 BVRPOEOQXIZCFF-ZLHKHBAESA-N 371.393 1.235 0 50 FDAA CN(Cc1nccn1Cc1ccccc1)C(=O)[C@@H]1NCCc2[nH]cnc21 72438492 DRBQZKYAZGTQEZ-GOSISDBHSA-N 350.426 1.500 0 50 FDAA Cc1noc(C)c1S(=O)(=O)N[C@@H]1COCC[C@H]1OCc1ccccn1 218926217 AETILHNXHOFOPE-HUUCEWRRSA-N 367.427 1.339 0 50 FDAA Cc1cc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(CCC(C)C)C(=O)[C@@H]24)O3)n[nH]1 77385933 RTQUSRDXUNELAA-LJCCNALRSA-N 372.469 1.505 0 50 FDAA O=C(C[C@H]1CN(Cc2ccccc2)CCO1)NCCc1nc(C2CC2)no1 221180888 OXUHGMVVTZSOTM-KRWDZBQOSA-N 370.453 1.897 0 50 FDAA O=C(c1ccc2nonc2c1)N1CCN(c2ccc3[nH]ncc3c2)C(=O)C1 82083157 VUMYDYUUHSJSHQ-UHFFFAOYSA-N 362.349 1.588 0 50 FDAA CC(C)[C@@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@H]1NS(C)(=O)=O 82087934 QOMOXORCSRDJEH-LSDHHAIUSA-N 354.472 1.463 0 50 FDAA CCN1C(=O)NC(=O)C12CCN(C(=O)[C@H]1COc3ccccc3C1)CC2 82127842 OCCLDRJUIKUVQT-CQSZACIVSA-N 357.410 1.171 0 50 FDAA CCN1CCN(CCOc2ccccc2CN2CCCN(C)CC2)CC1 223387692 URQTZZIGSYDHHM-UHFFFAOYSA-N 360.546 1.840 0 50 FDAA CN1CCN(C(=O)c2cn(C3CCOCC3)nn2)C[C@H]1Cc1ccccc1 290975837 SXPASDGLOKUDSC-GOSISDBHSA-N 369.469 1.629 0 50 FDAA COc1ccc2[nH]c(C(=O)N3CCN(CCn4cncn4)CC3)cc2c1 82145989 GUGDVLWTYQKYOW-UHFFFAOYSA-N 354.414 1.226 0 50 FDAA O=C(COc1ccccc1)N1CCN(C(=O)NCCc2ccco2)CC1 426552343 OCVDWWANRCHGPF-UHFFFAOYSA-N 357.410 1.755 0 50 FDAA COc1cc2c(cc1CNC(=O)c1nnc3nc(C)cc(C)n13)OCCO2 222382561 PSMDLVAYENGQKS-UHFFFAOYSA-N 369.381 1.451 0 50 FDAA C[C@H](C(=O)N1CCC(c2nc(N)n[nH]2)CC1)N1CCc2ccccc2C1 426477689 GVCHCPORLINDAJ-CYBMUJFWSA-N 354.458 1.540 0 50 FDAA Cc1c[nH]c(CN(C)C(=O)c2ccc3c(c2)nc(N2CCOCC2)n3C)n1 95366566 AQABICNWWZPDPF-UHFFFAOYSA-N 368.441 1.714 0 50 FDAA CCN(Cc1nc(C)no1)C(=O)c1ccc(-c2cc(OC)nc(N)n2)cc1 426657049 WGGRJOVYMADYNZ-UHFFFAOYSA-N 368.397 2.088 0 50 FDAA CN(CC(=O)N1CCn2nc(Cc3ccccc3)cc2C1)C1CCNCC1 97294606 CAJXLCXUPKMHRM-UHFFFAOYSA-N 367.497 1.500 0 50 FDAA CN(C)S(=O)(=O)CCC(=O)N1C[C@@H]2CCCCN2c2ccccc21 294504721 YBYYAPTUSUANMJ-AWEZNQCLSA-N 351.472 1.674 0 50 FDAA CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(C/C=C/c1ccc(F)cc1)C2 95500331 BJKMIANTHNDGAD-NDIJEHHESA-N 359.445 1.850 0 50 FDAA Cc1cc(CNC(=O)c2ccc3c(c2)nc(N2CCOCC2)n3C)n[nH]1 95388660 XGSZWAMLFAKDES-UHFFFAOYSA-N 354.414 1.371 0 50 FDAA Cc1nn(Cc2nc(CC3CCN(C)CC3)nn2C)c(=O)c2ccccc12 91782397 PFBWITQARMKOPI-UHFFFAOYSA-N 366.469 1.766 0 50 FDAA CC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)Cc1ccccn1)CC2 91433904 LZTZCZXRCRCDRJ-UHFFFAOYSA-N 353.426 1.270 0 50 FDAA Cc1ccc2[nH]nc(C(=O)N3C[C@H](CO)[C@H](CN(C)CCN(C)C)C3)c2c1 91417052 MDWQZPCAPMKPIE-HZPDHXFCSA-N 373.501 1.045 0 50 FDAA CN1C[C@H](c2ccccc2)CC2(CCN(Cc3nc(C(N)=O)no3)CC2)C1 91951798 NZFQGFDUDWXVPX-MRXNPFEDSA-N 369.469 1.870 0 50 FDAA COCC(=O)N1CCC2(CCN(CCc3ccccc3)CC2)[C@@H](CO)C1 97784748 KITHSEWNPPIYQG-LJQANCHMSA-N 360.498 1.799 0 50 FDAA Cn1c(=O)c(-c2nc(Cc3cccs3)nn2CCO)nc2ccccc21 96153896 YDTGTRUVTIRZQK-UHFFFAOYSA-N 367.434 1.837 0 50 FDAA COCc1nc(NCc2nc(-c3ccncc3)n[nH]2)cc([C@H]2C[C@H](N)C2)n1 244724592 MWYMEUURMXSICF-JOCQHMNTSA-N 366.429 1.620 0 50 FDAA CN(CCC(=O)Nc1nnc(C2CC2)s1)CC1(CO)CCOCC1 244724539 MWAXBVWPRZVTGD-UHFFFAOYSA-N 354.476 1.465 0 50 FDAA CC(C)[C@@H](NC(=O)c1ccc(CSc2nnc[nH]2)o1)c1ncnn1C 244619985 FJSGZSNMOXOPRG-GFCCVEGCSA-N 361.431 1.946 0 50 FDAA COc1ccc2c(c1)CCN(C(=O)CCN(C)[C@H]1CCS(=O)(=O)C1)C2 244794921 QWMWFEGBJLRBSO-INIZCTEOSA-N 366.483 1.089 0 50 FDAA CN(CC(=O)N[C@@H](c1cnn(C)c1)[C@H]1C[C@H](O)C1)Cc1ccccc1F 244787587 PZWDDFQYBAEECJ-IDHHARJASA-N 360.433 1.619 0 50 FDAA O=C(C[C@H]1N=C(O)N(Cc2ccccc2Cl)C1=O)N1CCOCC1 253535726 BDEAUDPVNKCUNJ-CYBMUJFWSA-N 351.790 1.214 0 50 FDAA CCn1cncc1CNC(=O)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 534640930 ZSTRLGRSJIJXBW-JKSUJKDBSA-N 372.425 1.692 0 50 FDAA CNC(=O)C1(NC(=O)c2cccc(-c3cncc(=O)[nH]3)c2)CCCCC1 534649978 DVEYKTUSBFWQLJ-UHFFFAOYSA-N 354.410 1.616 0 50 FDAA CSCCN1CCN(C(=O)c2ccc(-c3cc(=N)[nH]c(=N)[nH]3)cc2)CC1 534653062 LVQVTUWPFPFJMG-UHFFFAOYSA-N 372.498 1.090 0 50 FDAA Cc1ccc2cc(CN3CCc4nc(C(N)=O)cn4CC3)c(O)nc2c1 1940196985 JQHIJRIQBDIAPT-UHFFFAOYSA-N 351.410 1.603 0 50 FDAA COc1cc(=O)n2c(c1C(=O)N1CCc3ccccc3C1)CCNCC2 299800642 UKIXKGFFHIEOGP-UHFFFAOYSA-N 353.422 1.201 0 50 FDAA CS(=O)(=O)N1CCn2nc(CNc3nc4ccccc4s3)cc2C1 299765310 FHNPYZDQBUWEGM-UHFFFAOYSA-N 363.468 1.880 0 50 FDAA CN1CCc2[nH]nc(C(=O)N3CC[C@](C(=O)O)(c4ccccc4)C3)c2C1 299756998 GBTFBGRVSBWODZ-LJQANCHMSA-N 354.410 1.266 0 50 FDAA CC(C)N1CCO[C@@H](CC(=O)NCc2ccc(N3CCCC3=O)cc2)C1 299794541 KGTQEMPRXYKELZ-SFHVURJKSA-N 359.470 1.929 0 50 FDAA CCCC(=O)N1CCOC2(CCN(C(=O)[C@@H]3CC(C(C)C)=NO3)CC2)C1 822751899 NTIBXEPXJPCCDZ-INIZCTEOSA-N 365.474 1.807 0 50 FDAA CC(C)n1ncnc1-c1cccc(C(=O)NCCS(=O)(=O)N(C)C)c1 584891739 XQQYMGGYGGRTES-UHFFFAOYSA-N 365.459 1.147 0 50 FDAA C[C@H]1C[C@@H](NC(=O)C2CCN(C)CC2)CN1C(=O)c1cccc2[nH]ncc12 1875315961 OYFKDMVNHXMUAB-DZGCQCFKSA-N 369.469 1.624 0 50 FDAA Cc1cc(=NC(=O)N2CC[C@@H](C3CC3)[C@H]2c2nnc(O)n2C)cc(C)[nH]1 1875401113 FYGOBTMTLIKNSL-GJZGRUSLSA-N 356.430 1.960 0 50 FDAA CCc1c(NC(=O)[C@H]2CC(=O)N(C3CN(C)C3)C2)cnn1C1CCCC1 952888574 QTEZPXMSFOKQKH-ZDUSSCGKSA-N 359.474 1.662 0 50 FDAA Cn1cc(CNC(=O)c2c[nH]nc2[C@H]2CCCCN2)c(C(F)(F)F)n1 952849200 RTPHIAKRLUBVIJ-LLVKDONJSA-N 356.352 1.907 0 50 FDAA CN(C)[S@](C)(=O)=NS(=O)(=O)N1CC(c2nc3ccccc3s2)C1 881993145 VUCCCADFNNOYJX-JOCHJYFZSA-N 374.513 1.515 0 50 FDAA CC(=O)c1ccc(N2CCOC3(CCN(C(=O)[C@H]4CCOC4)CC3)C2)nc1 952964763 NRJWQDZQRICRBZ-KRWDZBQOSA-N 373.453 1.519 0 50 FDAA O=C(c1ccncc1)N1CCC(N2CCN(c3ncccn3)CC2)CC1 952992050 YPHIHKZDDPUIBK-UHFFFAOYSA-N 352.442 1.298 0 50 FDAA CCc1ncc(S(=O)(=O)N(C)C[C@H]2CC(=O)N(C3CCCC3)C2)[nH]1 952988761 ULADYFHAPDQMAF-GFCCVEGCSA-N 354.476 1.384 0 50 FDAA Cc1nonc1CC(=O)N1CCC(CNC(=O)Cc2cccs2)CC1 952979341 SJNIYWTUACKXSB-UHFFFAOYSA-N 362.455 1.580 0 50 FDAA O=C(N[C@H]1CCCN(CCN2CCOCC2)C1)c1c(F)cc(F)cc1F 882633748 XRRGHUXGMRUKIR-AWEZNQCLSA-N 371.403 1.630 0 50 FDAA COc1cccc(CC(=O)N2CCO[C@H](C)[C@H]2c2nc(C3CC3)no2)n1 886062791 GUSPCZLVVZCTNA-BZNIZROVSA-N 358.398 1.882 0 50 FDAA CO[C@H]1CN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)C[C@H]1OC 277326624 WFGJEYXQXHDVCE-OIISXLGYSA-N 351.447 1.862 0 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362.437 1.858 0 50 FDAA O=C(c1cc(-n2cnnn2)n[nH]1)N1CCC(c2nc3ccccc3o2)CC1 1857680927 YDDMMHSIDIXPRP-UHFFFAOYSA-N 364.369 1.546 0 50 FDAA CCCn1nnnc1CN(C)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328648011 UGENMOBFAJKXRV-NSHDSACASA-N 357.384 1.993 0 50 FDAA CCN1C(=O)CC[C@H](C(=O)N(C)Cc2nccs2)[C@H]1c1cnn(C)c1 331430373 JOWYYRCNUGDOGO-XJKSGUPXSA-N 361.471 1.835 0 50 FDAA CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12)N1CCCS1(=O)=O 246585862 SNKGCDBZIYXHAF-KOWPAETKSA-N 354.516 1.987 0 50 FDAA O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(N2CCCC2)nn1 263944078 UMZPJMXEXRFKDQ-QGZVFWFLSA-N 365.437 1.608 0 50 FDAA O=C(NC[C@@H]1CCC[C@]12NC(=O)NC2=O)Nc1ccc2oc(=O)ccc2c1 266616848 KBRGQEAQIFGOAO-VOJFVSQTSA-N 370.365 1.293 0 50 FDAA Cc1ccc(Cn2cccc(NC(=O)[C@@H]3OCCN(C)C3=O)c2=O)cc1 901200947 RUIASFFCKREPIO-INIZCTEOSA-N 355.394 1.001 0 50 FDAA Cc1nn(C)cc1CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1cccs1)C2 1704302552 ABEJYAZDWQDCOW-HOCLYGCPSA-N 360.483 1.763 0 50 FDAA CNc1ccc(Cl)cc1C(=O)N1C[C@H]2COC[C@@H]1CN(CC(=O)O)C2 1704311718 RQANQUYMMAPVHI-AAEUAGOBSA-N 367.833 1.239 0 50 FDAA CC[C@H](SC1=NCCS1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2746202 GONLHFHHEUXZHP-NSHDSACASA-N 359.498 1.887 0 50 FDAA aggregator Cc1cc(C)n(-c2cncc(N[C@@H]3C[C@H](Cn4ccnc4)C[C@H]3O)n2)n1 2325785585 FJLHZLLLOMXDME-ARFHVFGLSA-N 353.430 1.727 0 50 FDAA Cn1c(CC(=O)Nc2cnn(C3CCNCC3)c2)nnc1-c1ccccc1 2325795119 GLMIRFLPSYORJS-UHFFFAOYSA-N 365.441 1.784 0 50 FDAA O=C1COc2cc(C(=O)N[C@H]3c4cccc(O)c4C[C@@H]3C(=O)O)ccc2N1 2325821001 NPDVANGOGQJPGW-SJCJKPOMSA-N 368.345 1.451 0 50 FDAA Cc1nc2ccc(N(C)S(=O)(=O)c3c(C)nc(O)nc3O)cc2s1 2325841536 YWNVFLWGQDYAIE-UHFFFAOYSA-N 366.424 1.939 0 50 FDAA COC[C@@](CO)(NC(=O)Nc1cc(C(N)=O)ccc1F)c1ccccc1 2325850937 LLTKGBLNXYOZQK-GOSISDBHSA-N 361.373 1.580 0 50 FDAA O=C(O)c1cc(C(=O)O)cc(C(=O)c2cc(C(=O)O)cc(C(=O)O)c2)c1 113608046 NDEURWFVDGQGAG-UHFFFAOYSA-N 358.258 1.710 0 50 FDAA CCOC(=O)[C@H]1CCCN(C(=S)Nc2ccc(S(N)(=O)=O)cc2)C1 1111479 SPNMDKSZLVZZKB-NSHDSACASA-N 371.484 1.306 0 50 FDAA O=C(c1[nH]c2ccccc2c1Cl)N1CCC2(CC1)C[C@@H](O)[C@@H](O)CO2 2356138809 INTGDKYLKRFKRJ-KGLIPLIRSA-N 364.829 1.938 0 50 FDAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3cc(S(N)(=O)=O)ccc3F)C[C@H]21 2356158368 ZDEJNWJOSWKMLZ-KHIZAZIESA-N 370.446 1.486 0 50 FDAA NC(=O)c1cc(N2C(=O)c3ccccc3C2=O)ccc1N1CCOCC1 2874091 AGLZVTASTWGMFY-UHFFFAOYSA-N 351.362 1.423 0 50 FDAA CS(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccc2c(c1)OCO2 2890440 YKUISIXMISWAFX-UHFFFAOYSA-N 354.428 1.584 0 50 FDAA O=C(O[C@H]1c2nccnc2C(=O)N1c1ccc(Cl)cn1)N1CCNCC1 6093465 CGSFZSTXVVJLIX-HNNXBMFYSA-N 374.788 1.226 0 50 FDAA world COC(=O)c1cc(NC(=O)C(=O)N2C[C@@H](C)C[C@H](CO)C2)cc2[nH]ccc12 421296957 QZDZOGQAONGFQN-RYUDHWBXSA-N 373.409 1.370 0 50 FDAA CCn1nc(C)c(NC(=O)CN2CCNC(=O)[C@H]2Cc2ccccc2)c1C 65385264 NDHFZJCWJTVNGS-QGZVFWFLSA-N 369.469 1.501 0 50 FDAA COc1ccc(Cl)c(CN2CCC3(CC2)C(=O)NCCN3C)c1F 67872558 OGPLYWAFIYOZTP-UHFFFAOYSA-N 355.841 1.884 0 50 FDAA Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@@]2(O)CCSC2)cs1 328603158 FFLOHKXTJXFAPY-DUVNUKRYSA-N 373.519 1.690 0 50 FDAA CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)Cc1ccn(C)n1 328634028 MJSOGTVNHCCXGL-JSGCOSHPSA-N 351.451 1.490 0 50 FDAA Cc1cc(C(=O)NCCN2CCN(C)CC2)nn1-c1c(F)cccc1F 252572633 ZOWISTBRFAFZNA-UHFFFAOYSA-N 363.412 1.436 0 50 FDAA COc1cccc(CS(=O)(=O)N2C[C@@H](OC)C[C@H]2CN2CCCC2)c1 329169059 JAVBPLOPUUCJTN-WMZOPIPTSA-N 368.499 1.710 0 50 FDAA Cc1cccnc1NCCNc1ncnc2c1CCN(C(=O)C1CC1)C2 71712104 HLKDYTWDLMAANA-UHFFFAOYSA-N 352.442 1.999 0 50 FDAA Cc1nc2ccc(NC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)cc2[nH]1 409413818 UFRCBJVELZUBOB-MRXNPFEDSA-N 363.377 1.951 0 50 FDAA CCc1nn(C)c(Cl)c1CN1CCC2(CC1)C(=O)NCCCN2C 215642728 YPYZNBDLNDGQAM-UHFFFAOYSA-N 353.898 1.422 0 50 FDAA Cn1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c(C(=O)NCc2ccco2)n1 6828045 QFQVMTZFXDUDQI-CHWSQXEVSA-N 374.397 1.773 0 50 FDAA CNS(=O)(=O)CCNC(=O)N(Cc1ccco1)Cc1cccs1 187869354 SEMNBBJSISHFSW-UHFFFAOYSA-N 357.457 1.602 0 50 FDAA Cc1cc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(CCC(C)C)C(=O)[C@H]24)O3)n[nH]1 77385922 RTQUSRDXUNELAA-CLWJZODNSA-N 372.469 1.505 0 50 FDAA Cc1cc(C(=O)N2CCc3c(nc(N(C)C)nc3N(C)C)C2)c(=O)[nH]c1C 71419243 LPMBKBTVWZIQDG-UHFFFAOYSA-N 370.457 1.112 0 50 FDAA Cn1cc([C@H](NC(=O)c2c[nH]c(=O)c3ccccc23)[C@H]2C[C@@H](O)C2)cn1 219973740 FRKDQMSKJNQTEX-CJBNDPTMSA-N 352.394 1.504 0 50 FDAA Cn1cc([C@H](NC(=O)c2c[nH]c(=O)c3ccccc23)[C@H]2C[C@H](O)C2)cn1 219292417 FRKDQMSKJNQTEX-BTJLNZGRSA-N 352.394 1.504 0 50 FDAA CCCn1ccnc1CN1CCCN(S(=O)(=O)N2CCCC2)CC1 215227548 MKUFJLYXFDOTEA-UHFFFAOYSA-N 355.508 1.141 0 50 FDAA Cn1ncc2c(NC[C@H]3COCCO3)nc(CCc3ccccc3)nc21 72145385 KPUVQUYTZZNPGI-HNNXBMFYSA-N 353.426 1.976 0 50 FDAA Cc1ccccc1[C@H](CC(=O)O)NC(=O)Cn1c(=O)n(C)c2ccccc21 237654627 FFJFDDMQFSUPBM-HNNXBMFYSA-N 367.405 1.981 0 50 FDAA NC(=O)c1ccccc1CC(=O)N1CCC[C@](CO)(c2ccccc2)C1 367324056 IMLNJHNQJNLPJE-NRFANRHFSA-N 352.434 1.881 0 50 FDAA CCc1ccc(CN2CCn3nc([C@@H](O)c4ccnn4C)cc3C2)nc1 218909959 FMBULIKBCAIOJU-LJQANCHMSA-N 352.442 1.672 0 50 FDAA CCCCOc1ccccc1C(=O)N1CCNC[C@@H]1C(=O)N1CCCC1 72138975 QQHDUCHLASWSLR-QGZVFWFLSA-N 359.470 1.902 0 50 FDAA C[C@@H]1CCSCCN1C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 241317001 LWTJWRLDPGSOFZ-XNJGSVPQSA-N 353.488 1.841 0 50 FDAA Cc1cccnc1CN1CCN(C(=O)Cn2nc3ccccc3n2)CC1 72435664 PXJZXHXKDHQOMR-UHFFFAOYSA-N 350.426 1.479 0 50 FDAA Cc1c(CN2C[C@@H]3CC[C@H](C2)N(C)C3=O)c(=O)n(-c2ccccc2)n1C 72480874 WVOYJWSEIVRRPU-DOTOQJQBSA-N 354.454 1.537 0 50 FDAA Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)NCCN1C(=O)CNC1=O)CC3 378503953 CNKGUPAQMZRHHB-GFCCVEGCSA-N 369.425 1.185 0 50 FDAA COCCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2cccn2C2CC2)C1 219244350 UQABMMTXZZGGET-BETUJISGSA-N 359.430 1.229 0 50 FDAA Cc1ccc2c(c1)c(CNC(=O)[C@@H]1CC3(CCNCC3)CN1C)nn2C 72453753 ZBHTYPUSHAXLGX-SFHVURJKSA-N 355.486 1.572 0 50 FDAA O=C(c1cn(Cc2cccc(F)c2)nn1)N1CCC[C@H]1Cn1ccnc1 133614822 PMSVXWXWMVTAKZ-INIZCTEOSA-N 354.389 1.967 0 50 FDAA COc1nc2ccccc2nc1CCC(=O)NCc1cnn2cccnc12 221322637 YCOAMFTZSUAWJF-UHFFFAOYSA-N 362.393 1.930 0 50 FDAA COc1ccnc(N2CCN(C(=O)c3c(C)oc4c3C(=O)CCC4)CC2)n1 220276218 HERHPFNEOMWYME-UHFFFAOYSA-N 370.409 1.868 0 50 FDAA O=C(Cc1csc(-c2ccccc2)n1)NCc1cc2n(n1)CCNC2 82109149 LDTKDEOLHQHDEY-UHFFFAOYSA-N 353.451 1.969 0 50 FDAA O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1)c1ccccc1N1CCOCC1 223776391 YPMXRUQNSIONNF-GSEOLPGOSA-N 371.481 1.505 0 50 FDAA CCCn1ncc(CN2CCn3nc([C@@H](O)CC(=O)N(C)C)cc3C2)c1C 221172291 ITFMQGPITJEESQ-SFHVURJKSA-N 374.489 1.326 0 50 FDAA CN(CC(=O)NCCc1csc(-c2ncccn2)n1)Cc1cccnc1 220226667 XHUIVQQKFRYZNM-UHFFFAOYSA-N 368.466 1.786 0 50 FDAA C[C@@H]1CCc2sc(C(=O)N3CCc4c(c(C(N)=O)nn4C)C3)cc2C1 221174097 XRDFNXURRRIYLW-SNVBAGLBSA-N 358.467 1.904 0 50 FDAA O=C(c1ccc(N2CCCC2)nn1)N1CC[C@](CO)(c2ccccc2)C1 291246208 OXUYRZVEMLOQBW-FQEVSTJZSA-N 352.438 1.853 0 50 FDAA CN(C[C@H]1COCCO1)C(=O)[C@H]1CC(Cc2cccc(Cl)c2)=NO1 20907063 WADIIXZMVZTMPV-JKSUJKDBSA-N 352.818 1.901 0 50 FDAA CC(C)c1noc(CCC(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)n1 330910825 PUKRDJOMVWQOFW-CHWSQXEVSA-N 357.476 1.940 0 50 FDAA CC(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3ccc(C(N)=O)cn3)cc2)C1 426606827 XSDRLXYGWPJBAC-KRWDZBQOSA-N 366.421 1.588 0 50 FDAA CC(=O)Nc1ccc(CN2CCC3(CCC(=O)N(CC(N)=O)C3)CC2)cc1 91998157 APDZQQJXLHLWDQ-UHFFFAOYSA-N 372.469 1.335 0 50 FDAA O=C1OCC2(CCN(C(=O)NCCc3nc(-c4cccnc4)n[nH]3)CC2)O1 426705868 SIPYXWURGLWJSP-UHFFFAOYSA-N 372.385 1.120 0 50 FDAA Cc1nnnn1Cc1ccc(C(=O)N2CCC[C@H](c3ccncn3)C2)cc1 426716853 JEDQOECZICONTP-KRWDZBQOSA-N 363.425 1.840 0 50 FDAA COC(=O)N1CCN(C(=O)Nc2ccc3c(c2)C(=O)N(C2CC2)C3=O)CC1 95521792 GTCPHQAEMPDJJM-UHFFFAOYSA-N 372.381 1.361 0 50 FDAA CNC(=O)c1cc2c(s1)CCN(C(=O)[C@H]1CSC(C)(C)C(=O)N1)C2 97570874 QPSRZXSCBABEBF-SNVBAGLBSA-N 367.496 1.003 0 50 FDAA CN(C)C(=O)c1cc2c(s1)CCN(C(=O)[C@H]1CC(=O)N(C3CC3)C1)C2 91849125 YUXVIQCUFDLWJN-LBPRGKRZSA-N 361.467 1.346 0 50 FDAA CCCOCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 91254506 FTFIHFCIDDFTCX-HXUWFJFHSA-N 374.485 1.943 0 50 FDAA O=C(O)Cn1ccc([C@@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)n1 426514857 PWOIGCLDYFMDCV-CYBMUJFWSA-N 361.373 1.892 0 50 FDAA COc1ccc2c(c1)OC[C@]1(C(=O)O)CN(C(=O)CN3CCCCC3)C[C@H]21 96163468 SQRIXNMLLWAWNA-OXQOHEQNSA-N 374.437 1.570 0 50 FDAA CC(C)[C@H]1CN(CC(=O)NC2CCCCCC2)C[C@@H]1NS(C)(=O)=O 91649895 XDPHBTRAAQKHKB-CVEARBPZSA-N 359.536 1.331 0 50 FDAA CN(C)C(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)o1 95523561 AHZAOXDEWPETRP-ZDUSSCGKSA-N 370.409 1.041 0 50 FDAA Cn1c(Cn2ccnc2)nnc1[C@H]1CCCN(C(=O)c2sccc2N)C1 95363394 KSAIKJHIUCBMBI-LBPRGKRZSA-N 371.470 1.723 0 50 FDAA CN1CCN([C@H]2CCN(c3ncccc3F)C[C@H]2CCC(=O)O)CC1 95368705 OSEHLQFBYRQCMS-ZBFHGGJFSA-N 350.438 1.528 0 50 FDAA Cc1nn(C)c(C)c1CCC(=O)N1CCNC(=O)[C@@H]1Cc1ccccc1 97288746 OOECIEXOTYFFQN-SFHVURJKSA-N 354.454 1.539 0 50 FDAA NS(=O)(=O)c1ccc(CCn2cc(-c3ccc(Cl)nc3)nn2)cc1 91915137 RFBWYWWYIPRLMA-UHFFFAOYSA-N 363.830 1.884 0 50 FDAA CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Nc1cccc(N3CCCC3=O)c1)C2 96152027 ZJYHNNMHLNQYRX-CJNGLKHVSA-N 356.426 1.898 0 50 FDAA COc1cccc(-c2nc3c([nH]2)CCN(c2cc(NCCO)ncn2)C3)c1 97436977 PNVNHJFJJBCYSP-UHFFFAOYSA-N 366.425 1.842 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cccn2C)CN1C(=O)c1cccs1 96148388 IDCWESZWUVZMOL-JSGCOSHPSA-N 374.466 1.236 0 50 FDAA CC[C@@H](C(=O)Nc1nccs1)N1CCCN(C)C2(CCNCC2)C1 244794555 QOVPUCBYEDEISZ-AWEZNQCLSA-N 351.520 1.620 0 50 FDAA CCCc1nnc(NC(=O)CN2CCN(c3ccnc(C)c3)CC2)s1 244795633 RKKLBCJZWIWLIX-UHFFFAOYSA-N 360.487 1.955 0 50 FDAA COc1ccc(-c2cc(C(=O)N[C@H](CO)CCSC)n[nH]2)cc1OC 252482879 DPPZNQVQZKTMTA-LBPRGKRZSA-N 365.455 1.938 0 50 FDAA CCN1CCC[C@H]1CN1C[C@@H](C(=O)NCc2ccc(C(=O)O)cc2)CC1=O 299749622 LBGOHJMAAFDXEE-IRXDYDNUSA-N 373.453 1.334 0 50 FDAA Cc1noc(C)c1CC(=O)N(C)CCNc1cc([C@H]2CCOC2)ncn1 299800393 VGDJFBHMAJEBMV-AWEZNQCLSA-N 359.430 1.698 0 50 FDAA C[C@@H](Cc1cnccn1)NC(=O)Nc1ccc2c(c1)C(=O)N(C1CC1)C2=O 299766697 DYOILARVLDLIRV-NSHDSACASA-N 365.393 1.988 0 50 FDAA O=C(NCCN1CCCc2ccccc21)c1cc2ncc(CCO)cn2n1 828773618 KWKQYAXGNBRQEB-UHFFFAOYSA-N 365.437 1.447 0 50 FDAA CN(C(=O)NCCOc1ccc(Cl)cc1)C1CCS(=O)(=O)CC1 584900668 UWOLNWIOJCBAIM-UHFFFAOYSA-N 360.863 1.937 0 50 FDAA COc1ccc2[nH]c3c(c2c1)CN(C(=O)N[C@H]1C[C@@H](C(=O)O)N(C)C1)CC3 670441822 MTZDJKILKZDULH-GTNSWQLSSA-N 372.425 1.402 0 50 FDAA O=C(NC1CCN(Cc2cccs2)CC1)[C@@H]1CCCCn2nnnc21 670430014 AFOCRUBBWRGVRX-OAHLLOKOSA-N 360.487 1.783 0 50 FDAA Cc1cc(NC(=O)[C@@H]2CC(=O)N(C3CN(C)C3)C2)nn1-c1ccccc1 952887426 FNJBDFJXBLZCBG-CQSZACIVSA-N 353.426 1.282 0 50 FDAA CCOc1ccccc1-c1cc(C(=O)N2CC[C@]3(CNCCO3)C2)n[nH]1 1875287516 MSNXOUKYQRVXRC-IBGZPJMESA-N 356.426 1.680 0 50 FDAA Cn1cc(CC(=O)N2CCC[C@H](CS(C)(=O)=O)C2)c(C(F)(F)F)n1 1875318029 AZQOLLAJVKFLQV-JTQLQIEISA-N 367.393 1.265 0 50 FDAA CN1CCN(C)CC(NC(=O)c2cnc3c(cnn3C3CCCC3)c2)C1 1875306655 BAULIQRHBPLJDM-UHFFFAOYSA-N 356.474 1.522 0 50 FDAA C=CC(=O)NCc1ccc(C(=O)N2C[C@@H](CO)O[C@H](C(F)(F)F)C2)cc1 1875370822 FIVHCZJOPLTVLV-KBPBESRZSA-N 372.343 1.253 0 50 FDAA C[C@@H](C(=O)n1[nH]c(=N)c2ccc(F)cc21)N1C(=O)NC2(CCCC2)C1=O 1875312005 FZPKYXZFSCWQNG-VIFPVBQESA-N 359.361 1.481 0 50 FDAA C=CC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CCC(=O)NC2=O)cc1 1875380712 XHJFKLADPPZGRZ-CVEARBPZSA-N 369.421 1.859 0 50 FDAA 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O=C(NC1CCCC1)c1ccc(S(=O)(=O)N[C@H]2CCCOC2)cc1 91624764 UGCBQPBNLNAXEV-HNNXBMFYSA-N 352.456 1.816 0 50 FDAA CN(Cc1cccc(OC[C@@H](O)CN2CCOCC2)c1)Cc1nccn1C 95511162 BKCPWUIIJOFYTG-SFHVURJKSA-N 374.485 1.124 0 50 FDAA Cc1cnn(CCC(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)c1 95363677 QROLOSOFRFLDKL-KRWDZBQOSA-N 358.490 1.746 0 50 FDAA O=C(O)[C@@H]1CN(C(=O)CCC(=O)N2CCCCCC2)C[C@H]1c1ccncc1 92038713 AMNRLXRYRDWLEA-DLBZAZTESA-N 373.453 1.891 0 50 FDAA CC(=O)NCc1cc2n(n1)CCN(Cc1sc(N(C)C)nc1Cl)C2 426698534 ZQIAVJSOITYHSE-UHFFFAOYSA-N 368.894 1.711 0 50 FDAA CN1CCN(C[C@@H]2CN(Cc3cccc(-n4cccn4)c3)C[C@@H]2CO)CC1 95368761 PHTPCWXMKDPQCT-WOJBJXKFSA-N 369.513 1.160 0 50 FDAA CC(C)c1nnsc1CN1CCCn2nc([C@H](O)CN(C)C)cc2C1 230526745 WSGJOMIESYCPIM-OAHLLOKOSA-N 364.519 1.859 0 50 FDAA CCc1nccn1CCCn1ccnc1-c1cn(C2CCNCC2)nn1 91547505 NDVBPOKHNRWZCP-UHFFFAOYSA-N 354.462 1.915 0 50 FDAA COC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)Cc2ccon2)c1 95377126 GLFKBVHSQPYQHZ-LBPRGKRZSA-N 367.427 1.260 0 50 FDAA COc1cccc([C@H]2CN(C(=O)c3nc(O)nc4ccccc34)C[C@@H]2N)c1 92096515 JLVPGMIRNAFGJJ-CVEARBPZSA-N 364.405 1.911 0 50 FDAA Cc1cc(N2CCN(C(=O)c3onc4c3CCCC4)CC2)n2ncnc2n1 426724073 ZGYOWNAXWNQUOX-UHFFFAOYSA-N 367.413 1.262 0 50 FDAA c1ccc2c(c1)OC[C@H](Cn1ccnc1-c1cn(C3CCNCC3)nn1)O2 91655921 YISBAQZNHWKSDH-HNNXBMFYSA-N 366.425 1.906 0 50 FDAA O=C1CCC2(CCN(C[C@H]3COCCO3)CC2)CN1Cc1ccccn1 91468889 LSOPUJCQKXTXBE-SFHVURJKSA-N 359.470 1.702 0 50 FDAA CS(=O)(=O)Nc1cccc(NC(=O)N[C@H]2COC[C@@H]2N2CCCC2)c1 95508055 WBLWIXBALBECNG-GJZGRUSLSA-N 368.459 1.043 0 50 FDAA COC(=O)c1cc(OCC2CCC2)cc(C(=O)N2CCC[C@H]2C(N)=O)c1 92003840 QVZFEBAXWPZATO-INIZCTEOSA-N 360.410 1.742 0 50 FDAA Cc1nc(CN(C)C(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)no1 95521157 LGVYRJZKHWERIX-HNNXBMFYSA-N 373.413 1.951 0 50 FDAA COc1ccc(F)c(F)c1CN1C[C@H](C(C)C)[C@@H](NC(=O)CCO)C1 92065666 VSDLZFASBHIMIG-DOMZBBRYSA-N 356.413 1.928 0 50 FDAA OC[C@H]1CN(Cc2ccc(-n3ccnc3)cc2)C[C@H]1CN1CCOCC1 91381250 PCWKWAFKQCFNEP-RTBURBONSA-N 356.470 1.245 0 50 FDAA O=C(c1cnc(C23CC4CC(CC(C4)C2)C3)nc1O)N1C[C@@H]2CNC[C@@H]2C1 92045445 FYENCJCLLHFEFQ-AWPDPCMLSA-N 368.481 1.941 0 50 FDAA O=C([C@@H]1CCCN(C2CCOCC2)C1)N(CCO)Cc1cccs1 97785623 YEMWBMHYPWJMCP-OAHLLOKOSA-N 352.500 1.960 0 50 FDAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3[C@H]4[C@H]2[C@]2(c5ccccc5)[C@@H]([C@@H]43)[C@@H]12 248008148 UOEKMKGZFBVWBA-CLZUSOQFSA-N 355.397 1.970 0 50 FDAA Cc1nonc1N1CCN(C(=O)[C@@H](C)c2n[nH]c(=O)c3ccccc23)CC1 244884008 YDLYLHRMQJIJNW-NSHDSACASA-N 368.397 1.067 0 50 FDAA O=C1CCc2cc(C(=O)N3C[C@@H](C(=O)O)[C@H](C(F)(F)F)C3)ccc2N1 299744635 PNSHALSLOUBZDC-GHMZBOCLSA-N 356.300 1.906 0 50 FDAA Cc1oc(CN(C)C(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1C(=O)O 268946325 WMNSCDKOWRMGRP-MLGOLLRUSA-N 352.412 1.699 0 50 FDAA CNC(=O)Cc1ccc(NC(=O)N2CCC[C@H](CN3CCCC3=O)C2)cc1 299774978 JGZXILWSHPRJLH-MRXNPFEDSA-N 372.469 1.841 0 50 FDAA CC(C)[C@H](NC(=O)CN1CCN(c2ncccn2)CC1)c1cccnc1 299773425 AROZSNURFFSSCR-SFHVURJKSA-N 354.458 1.507 0 50 FDAA COc1c[nH]c(C(=O)NCCN2CC[C@@H](c3ccccc3C)C2)cc1=O 824528326 XQBLTOXDAFXMAS-OAHLLOKOSA-N 355.438 1.911 0 50 FDAA COc1cccc2c1OC[C@@H](NC(=O)c1nc(N)nc3c1CCCC3)C2 670455667 GXVXQGSVTVIIMF-LBPRGKRZSA-N 354.410 1.680 0 50 FDAA Cn1c(O)nnc1[C@@H]1[C@H](C2CC2)CCN1c1ccc(-n2ccnc2)nn1 1875399653 GLXAHGLSISKOOQ-WFASDCNBSA-N 352.402 1.474 0 50 FDAA COC[C@H](C)CNC(=O)[C@H]1CC[C@H](n2cc(-c3ccc(N)cn3)nn2)C1 1875353417 RXWSNKUIGVGSEU-IPYPFGDCSA-N 358.446 1.662 0 50 FDAA O=C1CC2(CCNCC2)[C@H](CNCc2cc(CO)cc(C(F)(F)F)c2)O1 1875303741 LJTUBYASGJIBBS-HNNXBMFYSA-N 372.387 1.973 0 50 FDAA C=CC(=O)N1CCC(C(=O)N2CCS(=O)(=O)c3ccsc32)CC1 1875382003 NGVZFEPWUSATHG-UHFFFAOYSA-N 354.453 1.293 0 50 FDAA Cn1c(O)nnc1[C@@H]1[C@@H](C2CC2)CCN1C(=O)c1cc2c([nH]1)CCOC2 1875401787 RUBQNWQKRGKPNF-DOMZBBRYSA-N 357.414 1.535 0 50 FDAA O=C(NCCc1cccc2[nH]ccc12)c1coc(CN2CC[C@H](O)C2)n1 888094774 CHPMKUZYTJPCNF-AWEZNQCLSA-N 354.410 1.695 0 50 FDAA CN(C)Cc1cc(O[C@H]2CCN(C(=O)CCc3ccnn3C)C2)ccn1 886095415 VLLSHRLANBWRQU-SFHVURJKSA-N 357.458 1.489 0 50 FDAA CS(=O)(=O)N1CCN(C(=O)c2cc(Br)cs2)CC1 16604706 YKWGWCAXOPFPAT-UHFFFAOYSA-N 353.263 1.228 0 50 FDAA Cn1nc(C(=O)N[C@H]2CCN(Cc3cccnc3)C[C@@H]2O)c2c1CCCC2 1565525207 YVVKFIYDEKFABL-WMZOPIPTSA-N 369.469 1.059 0 50 FDAA CCn1c(O)nc2cc(C(=O)N3CC[C@@H](c4cc(O)nc(O)n4)C3)ccc21 1469715092 CCERBOZFBQSXBA-LLVKDONJSA-N 369.381 1.593 0 50 FDAA CS(=O)(=O)N1CC(CNC(=O)NC[C@H]2CCCc3ccccc32)C1 186085141 ZTSTVHDNPYKBMZ-OAHLLOKOSA-N 351.472 1.297 0 50 FDAA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C(=O)C[C@H]1COC(=O)C1 275453233 JAMJOTSRCAGHQG-RDBSUJKOSA-N 369.462 1.776 0 50 FDAA OC[C@@H]1CCCN1c1cc(N2CCN(Cc3cccs3)CC2)ncn1 110115255 CGDVGCBOMZJGQW-HNNXBMFYSA-N 359.499 1.821 0 50 FDAA O=C(C(=O)N(Cc1ccccc1)C1CC1)N1CC[C@H](C(=O)N2CCCC2)C1 1348096342 ZPJQNHYJSLDFNJ-KRWDZBQOSA-N 369.465 1.649 0 50 FDAA COc1ccccc1-c1c(C)nn(C)c1NC(=O)CN1C(=O)CN(C)C1=O 1529134342 XWLNPOWWUYXHEZ-UHFFFAOYSA-N 371.397 1.237 0 50 FDAA Cc1ccn(CCN2CCCN(C(=O)c3ccc(C)n(C)c3=O)CC2)n1 1529151378 BTJHQHFCDPZTPO-UHFFFAOYSA-N 357.458 1.047 0 50 FDAA CN(C)S(=O)(=O)C[C@@H]1CN(c2ncc(Cl)cc2Cl)C[C@H]1O 1529178104 IHSRVQLPWKVFFX-GZMMTYOYSA-N 354.259 1.077 0 50 FDAA CO[C@H]1CN(C(=O)Cn2nc3ccccc3n2)C[C@H]1Cc1cc(C)no1 1529167316 JQPQCGGEXUXSIM-DYVFJYSZSA-N 355.398 1.444 0 50 FDAA CSc1cccc(NC(=O)[C@@H]2CC[C@H](NC(=O)Cn3cncn3)C2)c1 215244213 YCMNDPCFEKQYLW-OCCSQVGLSA-N 359.455 1.924 0 50 FDAA CN1CC[C@@H]2CN(C(=O)c3ccccc3-n3cccn3)C[C@]2(C(=O)O)C1 221972974 QKGOFHISLUMTIU-AUUYWEPGSA-N 354.410 1.351 0 50 FDAA CC(=O)c1c(C)nn(CCC(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c1C 1616078170 JVKXLURMNJIFCN-MSOLQXFVSA-N 370.453 1.862 0 50 FDAA OC1CCN([C@H]2CCN(Cc3cc4c(cc3Cl)OCO4)C[C@@H]2O)CC1 1614377044 OJFWUWIVIFSBPE-HOTGVXAUSA-N 368.861 1.461 0 50 FDAA Cn1nccc1-n1nc([C@@H]2CCOC2)nc1CCC(=O)N1CCCCCC1 1772807829 BPBZOSHGUYBGCY-OAHLLOKOSA-N 372.473 1.840 0 50 FDAA O=C(c1cc(N2CCOCC2)no1)N1CCC[C@H](OCc2ccccn2)C1 1772816529 PASMTHPHRWXGKP-INIZCTEOSA-N 372.425 1.728 0 50 FDAA O=C1CCN(c2ccccc2C(=O)N2CCC(C3(O)CC3)CC2)C(=O)N1 1772814534 FHGYVROZJDKRNZ-UHFFFAOYSA-N 357.410 1.510 0 50 FDAA O=C(NCc1ccccn1)[C@H]1CCc2sc(N3CCOCC3)nc2C1 1772808095 ZBZXXBUCWRPXBT-ZDUSSCGKSA-N 358.467 1.796 0 50 FDAA CS(=O)(=O)N(CC(=O)N1CCC[C@H]1C1(O)CC1)c1cccc(F)c1 1772810808 MECBZHBSYKFVMT-AWEZNQCLSA-N 356.419 1.108 0 50 FDAA CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)C1 5060882 YIXFPZPKKHIBQR-LSDHHAIUSA-N 374.437 1.850 0 50 FDAA CCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN([C@H](C)COC)CC2 14541613 KYABPRSVKNYXLU-OAHLLOKOSA-N 360.458 1.735 0 50 FDAA O=C(Cc1cnc2ccccn12)N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 220243910 IRWSCGWPIFGRRV-ZTFGCOKTSA-N 350.422 1.770 0 50 FDAA CSCCC(=O)NC[C@H]1[C@H]2CN(c3ncc(F)cn3)C[C@]23CC[C@H]1O3 1857710968 DXBRHNWLPCJNCX-ZOMKSWQUSA-N 366.462 1.469 0 50 FDAA Cc1cc(C[C@@H]2CN(C(=O)c3cc(-c4ccncc4)[nH]n3)C[C@H]2O)on1 1857713954 YVEMRSCOOVKSLH-CXAGYDPISA-N 353.382 1.444 0 50 FDAA O=C(CCc1ccncc1)N1CC[C@@H](O)[C@@](CO)(Cc2ccccc2)C1 1857725163 LCKOWTQGDYWWEL-CTNGQTDRSA-N 354.450 1.829 0 50 FDAA COc1ccc2c(c1)cc(C(=O)N1CC[C@@]34OCCCN3C(=O)C[C@@H]14)n2C 1857740515 QVDMHUQRKKBZJH-XLIONFOSSA-N 369.421 1.750 0 50 FDAA CCC[C@H](NS(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C)C(=O)O 414163544 GGMIXURIBQYRCG-NSHDSACASA-N 362.835 1.540 0 50 FDAA CC(C)[C@H](C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O)c1cccnc1 330417470 XQIBHEOLTNYMIN-KBMXLJTQSA-N 353.488 1.655 0 50 FDAA COc1ccc(C)cc1N1C[C@H](C(=O)N[C@H]2CCCC[C@H]2C(N)=O)CC1=O 239722398 CCQDTEVKEOCNSG-KFWWJZLASA-N 373.453 1.517 0 50 FDAA COc1ccc(NC(=O)[C@H]2C[C@H]3CC[C@H]2N3C(=O)C2CCOCC2)cn1 242389442 ZXGPAFPZZKXLAB-OWCLPIDISA-N 359.426 1.835 0 50 FDAA O=C(O)CCCNC(=O)Cc1cc2c(cc1Br)OCCO2 265590811 PIKPKTKFBQYMSH-UHFFFAOYSA-N 358.188 1.744 0 50 FDAA CCn1nc(C)c(C2=CC(=C(O)N[C@@H]3CCS(=O)(=O)C3)N=N2)c1C 2083863401 MVTVJGONTXWKFZ-LLVKDONJSA-N 351.432 1.830 0 50 FDAA O=S(=O)(c1ccccc1-c1ccno1)N1CC[C@@H](O)[C@]12CCSC2 2325756456 DPNWJGFFUMNTNL-HZPDHXFCSA-N 366.464 1.973 0 50 FDAA C[C@H]1CN([C@H]2CCCN(C(=O)c3cnc(N)c(Cl)c3)C2)S(=O)(=O)C1 2325770138 IGJRMYBJWIXCMM-JQWIXIFHSA-N 372.878 1.203 0 50 FDAA COC[C@@H]1CCOCCN1C(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 2325787015 VFJRSICFMFGSDZ-NXHRZFHOSA-N 360.454 1.860 0 50 FDAA COc1cc(C(=O)NS(=O)(=O)c2ccc(C)s2)nnc1C1CC1 2325791881 GELQRHKZFGRWLH-UHFFFAOYSA-N 353.425 1.851 0 50 FDAA Cc1nn(CC(=O)N2CCNC[C@@H]2c2nccn2C)cc1-c1ccccc1 2325795185 NNEWIUZNWTUWBK-GOSISDBHSA-N 364.453 1.765 0 50 FDAA Cc1ncc(C)c(N2CCO[C@H](CNC(=O)[C@H](C)OCC(C)C)C2)n1 2325867651 BJBIVWWXVRHUGA-GOEBONIOSA-N 350.463 1.476 0 50 FDAA C[C@@H](CNC(=O)CC[C@@H](C)N(C)C)NC(=O)Cc1cn2ccccc2n1 2325868976 SUWZAQILZHJEIL-LSDHHAIUSA-N 359.474 1.228 0 50 FDAA O=C1CC[C@@H](N2Cc3cc(C(=O)NC4CCCC4)ccc3C2=O)C(=O)N1 2325886726 GOCYVIDDCZFTAI-OAHLLOKOSA-N 355.394 1.120 0 50 FDAA COC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1c3c(nc4onc(C)c14)CCC3)C2 2356137450 YQJWDZXGVODOSH-WLRWDXFRSA-N 371.393 1.282 0 50 FDAA Cc1cccc(N=c2[nH]c(CN3CCN(C4CC4)C[C@H]3C)nc(=N)[nH]2)c1 2356162219 CARMRKDQSWQXER-CQSZACIVSA-N 353.474 1.427 0 50 FDAA COC(=O)C[C@@H]1CN(c2nccc(-c3ccc(N(C)C)cc3)n2)C[C@H]1O 2356165486 BFYLLIGJQZGECM-RHSMWYFYSA-N 356.426 1.570 0 50 FDAA Cc1cc(C(F)F)nn1CC(=O)N(C)[C@H]1C[C@H]2CC(=O)N(C)C[C@H]2C1 2356165980 RZEOOLBFVIRGHG-XQQFMLRXSA-N 354.401 1.844 0 50 FDAA CCCN1CCC[C@]2(CCCN2S(=O)(=O)c2cnn(C)c2C)C1=O 2356170849 XZLJCFBBMCKFCP-INIZCTEOSA-N 354.476 1.284 0 50 FDAA O=C(Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccncc1 6725763 DPMFFISIEUZFGN-OAHLLOKOSA-N 361.423 1.791 0 50 FDAA COCc1cc(=O)[nH]c(-c2ccc(CN(C)CCn3ccnc3)cc2)n1 23340119 KIVBPBITJYRROE-UHFFFAOYSA-N 353.426 1.912 0 50 FDAA Cc1cc(CN2CCC3(CC2)c2ccccc2[C@@H](N(C)CCO)[C@@H]3O)n[nH]1 20322397 BWVRMNSBVDFACF-UXHICEINSA-N 370.497 1.592 0 50 FDAA COc1ccc(F)c(CN2CCC[C@](O)(CNC(C)(C)CO)C2=O)c1 67674325 BZJZYYAJMVIWIQ-SFHVURJKSA-N 354.422 1.048 0 50 FDAA C[C@@H](NC(=O)C1(Oc2ccc(Cl)cc2)CCNCC1)c1nncn1C 65461546 REHRFIBKKKBZNR-GFCCVEGCSA-N 363.849 1.847 0 50 FDAA CN(CCCSc1ccccc1)C(=O)Cn1ncc(N(C)C)cc1=O 20992637 LXVPEXCFEAQHOT-UHFFFAOYSA-N 360.483 1.950 0 50 FDAA COC(=O)[C@@H]1CCCN2C(=O)N(c3ccc(C(F)(F)F)nc3)C(=O)[C@H]12 328594905 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YEVVGCGMIAMQFB-CQSZACIVSA-N 365.455 1.998 0 50 FDAA O=C(CCN1CCOCC1)N1CCN([C@@H]2CCc3ccccc3C2)CC1 72166216 BUVYESKFXPYCIW-HXUWFJFHSA-N 357.498 1.410 0 50 FDAA O=C([C@@H]1NCCc2[nH]cnc21)N1CCN(c2nsc3ccccc23)CC1 72435870 ZUHJFZZUFNEQOZ-MRXNPFEDSA-N 368.466 1.555 0 50 FDAA O=C(O)c1cccc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)n1 262354204 BXXZZUXPMZVCKC-KEYYUXOJSA-N 365.389 1.667 0 50 FDAA O=C(O)c1cccc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)n1 262354199 BXXZZUXPMZVCKC-CPUCHLNUSA-N 365.389 1.667 0 50 FDAA Cc1cc(C)n2nc(C(=O)N(C)Cc3ccc(OCC(=O)O)cc3)nc2n1 262314098 BWHXLYMJLPTNGW-UHFFFAOYSA-N 369.381 1.477 0 50 FDAA O=C(CCCn1cncn1)N1CCc2ncnc(N3CCCC3)c2CC1 72424400 FAZMSIDZMBAADX-UHFFFAOYSA-N 355.446 1.076 0 50 FDAA Cc1nn(Cc2ccccc2)c(N)c1C(=O)N1CC[C@@H](n2cncn2)C1 376095310 UBWAWYFLEFSRGI-OAHLLOKOSA-N 351.414 1.501 0 50 FDAA O=C(CNC(=O)c1ccccc1)N[C@@H]1CCOC[C@H]1OCc1ccccn1 219595869 ZFMQPSZZRPEDJC-QZTJIDSGSA-N 369.421 1.302 0 50 FDAA CN(C)CCO[C@H]1CCOC[C@H]1NS(=O)(=O)/C=C/c1ccccc1 219361786 YSGHLEAYUPNEDA-FIRJTHROSA-N 354.472 1.312 0 50 FDAA CN(C)C(=O)[C@H](c1ccccc1)n1ccnc1-c1cc2n(n1)CCNC2 72419820 IWNDLUIAPIAVRM-KRWDZBQOSA-N 350.426 1.527 0 50 FDAA c1cncc(-c2nc3c(c(NCCCN4CCOCC4)n2)CCNC3)c1 72151783 STMMKEAWVFVCHU-UHFFFAOYSA-N 354.458 1.319 0 50 FDAA Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCCN(Cc2ccccn2)C1 72420002 ASCTWQKJMREHSX-MRXNPFEDSA-N 370.501 1.546 0 50 FDAA Cc1ccc(CCNC(=O)CNS(=O)(=O)c2ccc(F)c(C)c2)o1 223197730 JHJJUZAGAVKTBJ-UHFFFAOYSA-N 354.403 1.673 0 50 FDAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)[C@H]1CC=CCC1)CC2 82162113 BRMBLCDQDINIRO-AWEZNQCLSA-N 369.469 1.995 0 50 FDAA Cc1cccc2nc(CNC(=O)CC[C@@]3(CCC(=O)O)CCC(=O)N3)cn12 222604985 FWFSZEAKVCYBMJ-IBGZPJMESA-N 372.425 1.553 0 50 FDAA Cc1cc(C(=O)N[C@H]2C[C@@H](c3nnc(CO)n3C)C2)c2c(C)noc2n1 223047687 QYMJGPMTGNHUPF-XYPYZODXSA-N 356.386 1.136 0 50 FDAA Cc1nc(N)ccc1-c1cccc(C(=O)N(CCO)Cc2nccn2C)c1 426584516 AFENJTBOOCIWSP-UHFFFAOYSA-N 365.437 2.007 0 50 FDAA NC(=O)CN1C(=O)[C@@]2(CCN(C(=O)CCC(F)(F)F)C2)c2ccccc21 82108751 LZXLLDBYFLOQSD-MRXNPFEDSA-N 369.343 1.331 0 50 FDAA Cn1cc(N2CC[C@H](NC(=O)N3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)C2=O)cn1 291114826 XKUVUNHKWCMYQP-JYJNAYRXSA-N 373.457 1.269 0 50 FDAA CC(=O)c1c(C)nn([C@@H](C)CC(=O)NCc2cc3n(n2)CCCNC3)c1C 82160505 UWKYRMKHSASTJV-LBPRGKRZSA-N 372.473 1.660 0 50 FDAA COc1ccc(-c2noc(CN(C)C(=O)N[C@H](C)c3nncn3C)n2)cc1 426407514 IZWFAXUXNISFRV-LLVKDONJSA-N 371.401 1.776 0 50 FDAA NC(=O)N1CCC[C@@H](C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 82166964 LFTSRUTYHDEQNC-CYBMUJFWSA-N 365.861 1.941 0 50 FDAA O=C(NCc1nc(-c2cccnc2)no1)N1CC[C@@H](N2CCCCC2)C1 426596612 OIRVVADKZUSLHL-OAHLLOKOSA-N 356.430 1.901 0 50 FDAA CCc1cc(NC(=O)c2cn(CC(=O)N(C)C)nn2)c2ccccc2n1 180475356 GIQBJATXJOBBOR-UHFFFAOYSA-N 352.398 1.729 0 50 FDAA O=C1CC[C@@]2(CCCN(Cc3ccc(CO)o3)C2)CN1CCc1c[nH]cn1 92077171 UEAPPPXAOSZFCB-HXUWFJFHSA-N 372.469 1.942 0 50 FDAA COCCCN1CC[C@@H](CNC(=O)Nc2ccc(-c3nncn3C)cc2)C1 96150791 SSRRNFPYTLEVMO-HNNXBMFYSA-N 372.473 1.962 0 50 FDAA COCC(=O)N1CCC(C(=O)N2CCC(O)(c3ccccc3)CC2)CC1 95372631 DOZYVSVHSONJCN-UHFFFAOYSA-N 360.454 1.382 0 50 FDAA COCc1noc(C[C@@H]2CN(C(=O)Cc3sc(C)nc3C)CCO2)n1 97527985 ZNZIVKACGFMHPO-GFCCVEGCSA-N 366.443 1.302 0 50 FDAA Nc1n[nH]c(C2CCN(C(=O)CCc3nc(-c4cccnc4)no3)CC2)n1 426513769 VACHOYXDLAXAEV-UHFFFAOYSA-N 368.401 1.171 0 50 FDAA CC(C)c1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(c2ncccn2)C3)nc(N)n1 91849089 IFHPVLORZHKPJW-UONOGXRCSA-N 367.457 1.713 0 50 FDAA O=C(c1c(F)cccc1Cl)N1C[C@H](CO)[C@H](CN2CCOCC2)C1 91664650 QOZMVXNCCFVSOY-CHWSQXEVSA-N 356.825 1.492 0 50 FDAA O=C(CCn1cccn1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2=O 95507085 YQKFZJJDESPYLO-DOTOQJQBSA-N 353.426 1.318 0 50 FDAA Cc1n[nH]c(C)c1[C@@H](NC(=O)C1CCN(C(=O)C2CCC2)CC1)C(=O)O 95507465 KYAJUFNZDAWWLR-OAHLLOKOSA-N 362.430 1.307 0 50 FDAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1nc(C)no1)C2 95374400 GOLAFGFRJBFNJS-LMMKCTJWSA-N 364.490 1.717 0 50 FDAA CN(C)C1=NC2(CCN(Cc3ccc4c(c3)CC(C)(C)O4)CC2)C(=O)N1 97743053 VTOIFCDGVRFOMJ-UHFFFAOYSA-N 356.470 1.782 0 50 FDAA O=C(Cn1sc2ccccc2c1=O)N1CCCO[C@@H](Cn2cccn2)C1 95525629 ZJEDNZVRNMFJDC-CQSZACIVSA-N 372.450 1.577 0 50 FDAA COc1ccc(OC)c([C@H](C(=O)O)N2CCN(c3cnccn3)CC2)c1 95377306 AVMMWQUJUVSRDX-QGZVFWFLSA-N 358.398 1.442 0 50 FDAA COc1ccc(CN2CCCOCC2)cc1OC[C@H](O)CN1CCCC1 95499075 XKTGMZFLXOAVLC-GOSISDBHSA-N 364.486 1.753 0 50 FDAA CC(=O)c1cccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 239030894 CNMSUOHMSSSKFU-GYYKNPCSSA-N 364.401 1.881 0 50 FDAA CN(C)C(=O)N1CCn2nc(CNC(=O)CN(C)c3ccccc3)cc2C1 91662978 FBLKHSCPVUKOKV-UHFFFAOYSA-N 370.457 1.133 0 50 FDAA CCNC(=O)c1ccc(N2CCC3(CCC(=O)N(CCCO)C3)CC2)nc1 91894359 INUDFNQCQSVIMX-UHFFFAOYSA-N 374.485 1.423 0 50 FDAA COc1cncc([C@@H](NC(=O)c2nc3cccnc3[nH]2)[C@H]2C[C@H](O)C2)c1 244708115 KNQRXFJOSJZQPJ-WBIUFABUSA-N 353.382 1.604 0 50 FDAA Cc1cccn2c(CC(=O)N[C@@H](c3cnn(C)c3)[C@H]3C[C@@H](O)C3)cnc12 243902123 BGIJTFCVLXCVBU-RPVQJOFSSA-N 353.426 1.547 0 50 FDAA O=C(O)COc1cccc(CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)c1 299752268 TUWBHDAOBFQITP-OAHLLOKOSA-N 354.362 1.892 0 50 FDAA COc1ccccc1C1(CNC(=O)N2CCN3C(=O)NC[C@@H]3C2)CCC1 185209693 ABTILJXMHPCHCV-CQSZACIVSA-N 358.442 1.536 0 50 FDAA NC(=O)[C@H]1CCCN1C(=O)Cn1ccc2ccc(Br)cc21 71375695 ROGZAYJJYUOJSY-GFCCVEGCSA-N 350.216 1.880 0 50 FDAA biogenic CCOC(=O)N1CCN(C(=O)c2cccc(-c3nc(OC)n(C)n3)c2)CC1 299769543 NYVQXALRAKOENJ-UHFFFAOYSA-N 373.413 1.405 0 50 FDAA C[C@@H](C1CCN(C(=O)CN(C)Cc2ccccn2)CC1)N1CCOCC1 299796963 OUVPKXRPSTXITC-KRWDZBQOSA-N 360.502 1.473 0 50 FDAA COc1cccc(SCC(=O)NCCN2CCC[C@H](C(N)=O)C2)c1 299797056 PHEUFZFMLMTERD-ZDUSSCGKSA-N 351.472 1.101 0 50 FDAA O=C(CN1CCOc2ccccc2C1)NCc1noc([C@H]2CCCO2)n1 299775089 JSDVVNCRVVPFDV-OAHLLOKOSA-N 358.398 1.432 0 50 FDAA Cc1nc(S(=O)(=O)N2CCC[C@@H](c3nc(CC(C)C)no3)C2)cn1C 821483416 WHKZAQDRUZWSPK-CYBMUJFWSA-N 367.475 1.878 0 50 FDAA O=C(Cc1ccncc1)N1CCC2(CC1)CN(C(=O)c1ccco1)CCO2 827921380 QSZMNTUELDOEJA-UHFFFAOYSA-N 369.421 1.751 0 50 FDAA C[C@@H]1CN(C[C@@H](O)c2ccc(F)cc2)CCN1c1nccn2cnnc12 269378811 UQZOJABVXGWQTF-CZUORRHYSA-N 356.405 1.508 0 50 FDAA COC(=O)[C@@]12C[C@H]1CN(C(=O)Nc1cccc(Cn3cccnc3=O)c1)C2 1875289725 KYYGQFFAPIWYSE-IFXJQAMLSA-N 368.393 1.318 0 50 FDAA C=CC(=O)N1CCC(C(=O)N2CCC[C@@H](c3nncn3C(C)C)C2)CC1 1875370726 AVZFEKUHDVGOGZ-MRXNPFEDSA-N 359.474 1.990 0 50 FDAA O=C(CNC(=O)NCc1ccccc1)Nc1cc2c(cc1O)OCCO2 1875347793 SOCNCCSZAVXFOI-UHFFFAOYSA-N 357.366 1.601 0 50 FDAA CN(C)C/C=C/C(=O)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 1875377200 VQQYXRGQMJSFAG-LJLILKBBSA-N 355.360 1.741 0 50 FDAA C=CC(=O)N1CCN(C(=O)c2cnn3c2NCC[C@@H]3C(F)(F)F)[C@@H](C)C1 1875380932 FIFUVVVBANBAFZ-CMPLNLGQSA-N 371.363 1.661 0 50 FDAA O=C(Nc1ccnc2ccnn12)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 1875309364 LPFDOEGPRSYHOR-AWEZNQCLSA-N 371.422 1.809 0 50 FDAA O=C1N[C@@H]([C@@H](O)c2cccnc2)C(=O)N1c1cncc(Br)c1 1875387320 BRGQURHHQQKTTB-RYUDHWBXSA-N 363.171 1.398 0 50 FDAA C=CC(=O)N1CCC(C(=O)NCc2c(C)nc3cc(O)nn3c2C)CC1 1875370881 HIINAOPDTCEDCJ-UHFFFAOYSA-N 357.414 1.093 0 50 FDAA COCCN1C[C@H](C(=O)Nc2ccc(CC(=O)NC3CC3)cc2)CCC1=O 952966959 XUMVZJLFSLNXBL-OAHLLOKOSA-N 373.453 1.331 0 50 FDAA CC1(C(=O)NC[C@H]2CCCN(C(=O)c3cnc4sccn4c3=O)C2)CC1 952985505 WIGJNPWNYPZEKD-GFCCVEGCSA-N 374.466 1.525 0 50 FDAA CN(C)Cc1cc(O[C@@H]2CCN([C@H](C(N)=O)c3ccc(F)cc3)C2)ccn1 886068711 KIMBJFNPJPAEMG-MOPGFXCFSA-N 372.444 1.962 0 50 FDAA Cc1noc(C[C@@]2(O)CCCN(CC(=O)NCc3ccccc3C)C2)n1 888076821 JDURTSIIZARTHO-IBGZPJMESA-N 358.442 1.372 0 50 FDAA CO[C@@H]1CN(C(=O)C(F)(F)C2(O)CCCCC2)C[C@H]1c1cn(C)nn1 888078014 BBTNAUFZKIMTAE-WCQYABFASA-N 358.389 1.086 0 50 FDAA O=C([C@@H]1COCCN1CC1CCC1)N1CCC(Nc2cccnn2)CC1 170083329 MMGMAZMAFVGXAC-KRWDZBQOSA-N 359.474 1.380 0 50 FDAA COC[C@@H](C)S(=O)(=O)NC(=O)c1c(-c2ccc(F)cc2)noc1C 170626580 GIQMDZLBVQBZMZ-SECBINFHSA-N 356.375 1.884 0 50 FDAA CC(C)N(C[C@H]1CCC(=O)N1)S(=O)(=O)CCOc1ccc(F)cc1 1506423291 UTFZSEPWFJMEKW-CQSZACIVSA-N 358.435 1.523 0 50 FDAA CN1CC[C@](C)(C(=O)N2CCCN(C(=O)c3c(O)cccc3F)CC2)C1 1529169064 SHHOAUZBQGDNQR-IBGZPJMESA-N 363.433 1.548 0 50 FDAA NS(=O)(=O)c1ccc(CNC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 656505 KOMANIYNOXCFEE-XBXARRHUSA-N 360.391 1.392 0 50 FDAA biogenic Cc1cccc(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1Cl 1704344490 OQXLJWXAVGHYJJ-AAEUAGOBSA-N 360.863 1.285 0 50 FDAA CCc1cc(N2CCN(c3cc(C(=O)N4CCCC4)ccn3)CC2)ncn1 1704338942 LLHCOPAIYSGCQJ-UHFFFAOYSA-N 366.469 1.997 0 50 FDAA CCc1nc2ccccc2n1CCC(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1 1800411475 KKTOEOKDRJGXCQ-BFUOFWGJSA-N 357.410 1.548 0 50 FDAA CN1CC[C@@H]2CN(C(=O)CCc3nc(-c4ccccc4F)no3)C[C@@H]2C1=O 1772806933 HOVCZAWUQIXIIP-OCCSQVGLSA-N 372.400 1.745 0 50 FDAA O=C(NCc1[nH]nc2ncccc12)[C@H](c1cccnc1)N1CCOCC1 1772816358 KILBQDIAEACUKF-INIZCTEOSA-N 352.398 1.043 0 50 FDAA CC(C)[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(Cl)c3)CN2C1=O 14540971 BFGRYWFPYKCYMS-IHRRRGAJSA-N 364.833 1.585 0 50 FDAA Cc1noc(-c2cn([C@H]3CCN(C(=O)c4ccc5c(c4)OCO5)C3)nn2)n1 169777941 SCBNWJOPMTXJKC-LBPRGKRZSA-N 368.353 1.452 0 50 FDAA O=C(COCc1cccnc1)N[C@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@@H]1O 1857531434 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Cc1cc(S(=O)(=O)N2CC[C@H](O)[C@@](CC3CC3)(C(=O)O)C2)c(C)s1 1704299762 SSCMFAZMZWFYIB-HOCLYGCPSA-N 373.496 1.991 0 50 FDAA Cc1ccc(N2CCN([C@@H]3CCCCN(CC(=O)O)C3=O)CC2)c(C)c1 852740219 AKMFDDLBYNIDLW-GOSISDBHSA-N 359.470 1.891 0 50 FDAA Cn1c(=O)c2c(nc(O)n2Cc2ccc(Cl)cc2Cl)n(C)c1=O 4320801 SJBMGAWFKNPLNJ-UHFFFAOYSA-N 355.181 1.494 0 50 FDAA CC(=O)N[C@@H]1CCCN(C(=O)CN2C[C@H]3C[C@]3(c3ccc(C)cc3)C2)C1 2325779261 SGJSTNZQKANFRW-SFHLNBCPSA-N 355.482 1.695 0 50 FDAA COC(=O)c1cc(NC(=O)[C@@H](N)Cc2cnc[nH]2)cc(C(F)(F)F)c1 2325865383 AHHMZVIYOVVXPR-LBPRGKRZSA-N 356.304 1.724 0 50 FDAA CC(C)[C@H](C)C(=O)NCc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2 2325887207 YCKMCBYKJNLHEP-LRDDRELGSA-N 371.437 1.356 0 50 FDAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC(N3CCOC3=O)CC2)cc1 2325889950 GZPNKFCZPYLCRE-UHFFFAOYSA-N 357.410 1.892 0 50 FDAA C=CC(=O)N(C)c1ccc(C(=O)N(C)[C@@H]2CS(=O)(=O)C2(C)C)cc1 2325889984 MDDMPOKPWGPKNE-CQSZACIVSA-N 350.440 1.483 0 50 FDAA CN(Cc1ccccc1)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 691960 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361.417 1.941 0 50 FDAA Cc1cc2occ(CC(=O)NCCCN3CCNC(=O)C3)c2cc1Cl 215650867 QONZWQSJPYGCRN-UHFFFAOYSA-N 363.845 1.875 0 50 FDAA O=C(c1ccccc1[C@H]1CCNC1)N1CCCN(c2ncccn2)CC1 72130803 MEJNIACSGJFGOG-INIZCTEOSA-N 351.454 1.906 0 50 FDAA O=C(NCc1ccnc(-n2ccnc2)c1)N1CCN(CC(F)F)CC1 363441583 IFKHCRNLKMQNHA-UHFFFAOYSA-N 350.373 1.360 0 50 FDAA CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1n[nH]c2ccc(Cl)cc12 331748945 ZNVKTQVYZVLVCV-CABZTGNLSA-N 370.862 1.664 0 50 FDAA Cc1nc(-c2cccnc2)nc(O)c1CC(=O)N1CCC[C@H]2COC[C@H]21 367252751 RWWIMYSUNIDLCY-GOEBONIOSA-N 354.410 1.733 0 50 FDAA CCc1ccc2nc(C)cc(C(=O)N3CCNC(=O)[C@@H]3CC(=O)NC)c2c1 77320414 VYRDUWJNGJAWRL-KRWDZBQOSA-N 368.437 1.182 0 50 FDAA CSCCCN1CCC[C@@H](c2nnc(CN3CCOCC3)n2C)C1 72434265 AJPWOIWCHJYZJP-OAHLLOKOSA-N 353.536 1.580 0 50 FDAA CC(C)n1cc([C@]2(O)CCCN(C(=O)c3cc(Cl)cn3C)C2)nn1 284829660 KHEBNPKPITZBNN-INIZCTEOSA-N 351.838 1.975 0 50 FDAA CCN(Cc1noc(C2CCC2)n1)C(=O)[C@@H]1CC2(CCNCC2)CN1C 72424700 KABGWUYVACJYFK-HNNXBMFYSA-N 361.490 1.760 0 50 FDAA Cc1noc([C@]2(O)CCN(C(=O)Cc3cnn(-c4ccccc4)c3)C2)n1 372871828 RWYUSEGQVMOTQM-SFHVURJKSA-N 353.382 1.226 0 50 FDAA COc1ccc(S(=O)(=O)NCC[C@@H](C)N2CCCC2)cc1NC(C)=O 72441467 VVQJGFZJXABVRN-CYBMUJFWSA-N 369.487 1.806 0 50 FDAA O=C(c1cnn2cc(CCO)cnc12)N1CCO[C@@H](c2ccc(F)cc2)C1 71738717 MNRRBABYIFPFOI-QGZVFWFLSA-N 370.384 1.617 0 50 FDAA Cc1nc(CCNC(=O)CSc2nnc(N)s2)nc2c1CCCC2 215297363 SRNXBTQKADGCPN-UHFFFAOYSA-N 364.500 1.549 0 50 FDAA CCc1cc(N2C[C@H](COCC(=O)N(C)C)OC(C)(C)C2)nc(C)n1 285212412 XCWCKHWRIFBOAN-OAHLLOKOSA-N 350.463 1.436 0 50 FDAA Cc1ccc(-c2ccnc(N3CCN[C@@H](C(=O)NC4CC4)C3)n2)c(C)n1 72154594 SJFMTTICELORBM-QGZVFWFLSA-N 352.442 1.212 0 50 FDAA CCCCC(=O)N1CCc2ccc(S(=O)(=O)NCC[C@@H](C)O)cc2C1 77406467 QLJJMDNQUGHLAN-CQSZACIVSA-N 368.499 1.811 0 50 FDAA COCCNc1nc2cc(C(=O)NCc3snnc3C)ccc2n1C 219468130 MVMXVMPXURSORO-UHFFFAOYSA-N 360.443 1.722 0 50 FDAA CN(C)CCN(C)[C@H]1CCCN(C(=O)c2cnc(-c3cccnc3)nc2)C1 72168490 IKTSHNBIWKDYEU-SFHVURJKSA-N 368.485 1.637 0 50 FDAA C[C@@H]1C[C@H](NC(=O)[C@H]2CCCN2C2CCOCC2)C(=O)N1c1ccccc1 245675800 HEWLOBAUKYCMNA-AYOQOUSVSA-N 371.481 1.940 0 50 FDAA CCn1ccnc1[C@H](NC(=O)c1cnn2cccnc12)C1CCOCC1 286706429 FWYLQJJVXRIDFO-OAHLLOKOSA-N 354.414 1.843 0 50 FDAA COc1cccc(OCC(=O)N2CCCO[C@H](CN3CCOCC3)C2)c1 221438198 VXACKRKKLAETJQ-GOSISDBHSA-N 364.442 1.024 0 50 FDAA O=C1CCc2cc(S(=O)(=O)N3[C@H]4CC[C@H]3[C@@H](C(=O)O)C4)c(F)cc2N1 263501400 TUVRMSILGSYZLE-KWBADKCTSA-N 368.386 1.337 0 50 FDAA CC(=O)N1CCC(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)CC1 222566701 YSCLHQBNXHDWQA-HZPDHXFCSA-N 367.471 1.192 0 50 FDAA CNc1nc(N[C@@H]2COCC[C@H]2Oc2ccc(C(N)=O)cc2)ncc1F 220746708 HVKIMOJNKCIZMV-ZIAGYGMSSA-N 361.377 1.405 0 50 FDAA O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(-c2cn[nH]c2)nc2ccc(F)cc12 20235253 GKXUYNWCNFSRIH-LBPRGKRZSA-N 374.397 1.681 0 50 FDAA CN1CCN(CCC(=O)NCc2c[nH]nc2-c2ccc(Cl)cc2)CC1 220529842 IKRNSBWMKBRRDK-UHFFFAOYSA-N 361.877 1.984 0 50 FDAA CSCCC(=O)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 82106504 IFWUAHBJQULIDB-GOSISDBHSA-N 364.515 1.937 0 50 FDAA O=C(O)Cn1nccc1[C@@H]1CCCN(C(=O)CCc2nc(Cl)n[nH]2)C1 426519204 GQEYUNGZTSIGCA-SNVBAGLBSA-N 366.809 1.078 0 50 FDAA O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1)c1cccc(-n2cnnc2)c1 222238539 DMROKKVQPDAWPV-XMTFNYHQSA-N 353.426 1.249 0 50 FDAA Cc1ccccc1C(=O)N1CC[C@]2(C1)C(=O)N(CC(N)=O)c1ccccc12 82160806 PIVJJZCJGLVOEK-OAQYLSRUSA-N 363.417 1.611 0 50 FDAA C[C@H](NS(C)(=O)=O)C(=O)NCc1c[nH]nc1-c1ccc(Cl)cc1 223837235 PUPHHDXEHYYGLD-VIFPVBQESA-N 356.835 1.284 0 50 FDAA Cc1cc(C)n(CC(=O)NCCc2nc(Cc3ccccc3)no2)c(=O)n1 220650083 XCFFYLBVHWVWHC-UHFFFAOYSA-N 367.409 1.193 0 50 FDAA O=C1N[C@@H](C(=O)N2CCC(CCN3CCCC3=O)CC2)Cc2ccccc21 95359550 ZFTFUTLKPSXRMZ-GOSISDBHSA-N 369.465 1.592 0 50 FDAA CN(C)S(=O)(=O)CCNC(=O)Nc1cnn(Cc2ccccc2F)c1 426370523 MUKPYJCXHVFVCG-UHFFFAOYSA-N 369.422 1.083 0 50 FDAA O=C(CSc1ncccn1)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 91915373 PHAVTAGIAFWGAE-GOSISDBHSA-N 360.483 1.820 0 50 FDAA O=C(CO)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1 95512061 HVMUEYUCTBBVGC-NRFANRHFSA-N 372.509 1.866 0 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355.394 1.445 0 50 FDAA CC(C)Cc1noc(CN(C)C(=O)CN2C(=O)COc3ccccc32)n1 95502986 JJJBDHSRYVRMRD-UHFFFAOYSA-N 358.398 1.652 0 50 FDAA CC(C)c1nnc2n1CCN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CC2 91468863 HOMOLUUSJWFUMW-CQSZACIVSA-N 359.474 1.577 0 50 FDAA O=C(NCc1cc(O)ncn1)N1CCC([C@@H](O)Cc2ccccc2)CC1 534674791 AFBYQHFXSMXUHQ-KRWDZBQOSA-N 356.426 1.707 0 50 FDAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)N[C@@H]1CCCCNC1=O 1940196120 LQCYQPLXFRTZAJ-OAHLLOKOSA-N 369.421 1.363 0 50 FDAA CN(CC(=O)N1CC=C(c2ccc(F)cc2)CC1)[C@H]1CCS(=O)(=O)C1 299802205 ZCLSXRGLPNMOCF-KRWDZBQOSA-N 366.458 1.560 0 50 FDAA COc1ccc(N2C[C@@H](NC(=O)C3(Cn4ccnc4)CC3)CC2=O)cc1 299789495 VWCYOXURLNBZJW-AWEZNQCLSA-N 354.410 1.594 0 50 FDAA CCOc1ccc(NC(=O)NCCN2CCC[C@H](C(N)=O)C2)c(F)c1 299767871 WWEHOGDWIURARR-LBPRGKRZSA-N 352.410 1.543 0 50 FDAA O=C(c1c[nH]c(=O)cn1)N1CCOC2(CCN(Cc3ccsc3)CC2)C1 828930841 UVYCEMKSZJVXCE-UHFFFAOYSA-N 374.466 1.339 0 50 FDAA COc1ccc(-c2ccno2)cc1S(=O)(=O)N[C@H]1COC[C@@H]1OC 824742864 JPCLLVOSMJTHFF-FZMZJTMJSA-N 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360.462 1.165 0 50 FDAA CN1CCC2(CCN(C(=O)c3cc(N4CCNC4=O)ccc3F)CC2)C1=O 446520365 XYEHOLKCUOCVIG-UHFFFAOYSA-N 374.416 1.440 0 50 FDAA Cc1nn(C)c(C)c1CCC(=O)N1CCC(C(=O)O)(n2cccn2)CC1 72419824 NJHYZQHLPRXGBN-UHFFFAOYSA-N 359.430 1.269 0 50 FDAA C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N[C@H]2CCNC2)cc1 246745668 HGRQJQMCKIOKQT-UXLLHSPISA-N 359.470 1.947 0 50 FDAA COCCOc1ccc(-n2nc(C)c(C(=O)N3CCC[C@H]3C(=O)O)n2)cc1 262181137 WQMNHWKZPCFUFV-HNNXBMFYSA-N 374.397 1.290 0 50 FDAA C[C@@]1(C(=O)NCc2ccccc2CN2CCC(O)CC2)CCCNC1=O 373785013 COSPVHUFNRYCEY-HXUWFJFHSA-N 359.470 1.176 0 50 FDAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CC12CCS(=O)(=O)CC2 375196357 UWMAMMLELBEBNN-AJNGGQMLSA-N 369.483 1.534 0 50 FDAA O=C(NC[C@@H]1COCCO1)c1coc(COc2cccc3cnccc23)n1 71279022 CXSBCWZWQBVAGT-CQSZACIVSA-N 369.377 1.947 0 50 FDAA CC(C)CN1CCO[C@H](CNC(=O)CNC2(C3CC3)CCOCC2)C1 375702925 VKTNOFWRGOGAHN-QGZVFWFLSA-N 353.507 1.008 0 50 FDAA CCOc1ccccc1NC(=O)CN1CCN(C(=O)[C@@H]2CCCO2)CC1 35800966 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1940196148 NUIJHTHNVRVDFS-UHFFFAOYSA-N 368.441 1.139 0 50 FDAA O=C(CCc1nc(O)c2ccccc2n1)N[C@@H](CO)Cc1ccccc1 299754442 PKPIHOLUWUTPLW-OAHLLOKOSA-N 351.406 1.988 0 50 FDAA biogenic COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)Cc1cc(C(C)C)no1 299768690 YUQKKDNPCWPHTL-UHFFFAOYSA-N 367.427 1.726 0 50 FDAA COCc1ccc(C(=O)N2CC[C@]3(OC)CC[C@H](OCCO)C[C@H]23)o1 299780693 BSKBKPQTWYQNER-QANKJYHBSA-N 353.415 1.587 0 50 FDAA c1ccc(Cn2cccn2)c(CN2CC[C@@H]3OCc4cnnn4[C@H]3C2)c1 299759395 RCFTVDBIDKOINA-OALUTQOASA-N 350.426 1.869 0 50 FDAA COc1ccc(OC)c(S(=O)(=O)N[C@H]2CCCN(C(=O)C(C)C)C2)c1 586081096 ZQHBDJCFLSEZOF-ZDUSSCGKSA-N 370.471 1.629 0 50 FDAA COCCn1cnnc1[C@@H](C)NS(=O)(=O)c1cc(OC)c(C)cc1C 824464087 WPZFMNLHGDIDLM-CYBMUJFWSA-N 368.459 1.589 0 50 FDAA Cn1cncc1C(=O)N1CCC2(CC1)CN(C(=O)NC(C)(C)C)CCO2 827969798 REPONNSNBSCRRH-UHFFFAOYSA-N 363.462 1.235 0 50 FDAA Cc1noc(CN(C)C(=O)N[C@H]2CC(=O)N(c3ccccc3Cl)C2)n1 584895747 BCGPZPWCJNDAEK-NSHDSACASA-N 363.805 1.978 0 50 FDAA CCN(CCn1cccn1)C(=O)N[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 584898178 QFNPXZCRIBBXSR-HNNXBMFYSA-N 371.441 1.729 0 50 FDAA CN1CCC(N(C[C@@H]2C[C@H]3C=C[C@H]2C3)C(=O)c2cn3cnnc3cn2)CC1 1875294231 NSLGGMBURQMVOF-JYJNAYRXSA-N 366.469 1.873 0 50 FDAA CC1(C)C[C@H]1[C@H](NC(=O)N1CCc2c(O)nc(O)nc2C1)C(F)(F)F 1875306542 JULRVFKQQYCEJE-WPRPVWTQSA-N 360.336 1.933 0 50 FDAA C=CC(=O)N(C)c1ccc(C(=O)N2CC[C@@H]3CN(C(C)=O)CC[C@@H]32)cc1 1875379966 APPPKCKEOYKFAL-AEFFLSMTSA-N 355.438 1.918 0 50 FDAA C=CC(=O)NCC(=O)N1CCc2c(OC)ccc(Br)c2C1 1875370980 KIRBCBFZZXAXOX-UHFFFAOYSA-N 353.216 1.645 0 50 FDAA CCN1CC[C@H]1C(=O)N1CCC2(CN(C(=O)c3ccc(OC)cc3)C2)C1 1875356643 OGRHRERXPYWQMK-KRWDZBQOSA-N 357.454 1.464 0 50 FDAA Cc1cnc(N[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)nc1C 1875301521 MDYJFUJYHKLTHH-OAHLLOKOSA-N 369.473 1.893 0 50 FDAA CN1CCCc2cc(CC(=O)N[C@@H]3C[C@@H](Cn4cccn4)C[C@H]3O)ccc21 1875401186 SPIZVPCPROIMAK-YVWKXTFCSA-N 368.481 1.764 0 50 FDAA CS(=O)(=O)NCCC(=O)Nc1ccc(OC[C@H]2CCCCO2)cc1 952987217 JEURWDNVDUFEER-OAHLLOKOSA-N 356.444 1.512 0 50 FDAA CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccccc2C)CCO1 886071679 VHLGKKNXAXUBFD-CGTJXYLNSA-N 374.437 1.259 0 50 FDAA Cc1noc(C[C@@]2(O)CCCN(C(=O)Cc3ccc4c(c3)CCO4)C2)n1 886097006 VHBHYXRLWWHMKQ-IBGZPJMESA-N 357.410 1.452 0 50 FDAA O=C(CCCc1cn[nH]c1)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1 1565506304 NRXPEHMPABYFIY-ZBFHGGJFSA-N 373.482 1.839 0 50 FDAA Cc1cc(F)cc(S(=O)(=O)N[C@@H](C(=O)O)c2c(C)nn(C)c2C)c1 275111456 RYHMQPFZPMFVGX-CQSZACIVSA-N 355.391 1.589 0 50 FDAA O=C(CCn1c(S)nnc1-c1cccs1)NC[C@H]1CCC[C@H]1O 170651864 NTWSPHZMRKSFSE-GHMZBOCLSA-N 352.485 1.963 0 50 FDAA CCc1ccc(-n2nc(C(=O)NCCc3nc(=O)o[nH]3)c3c2CCC3)cc1 280013370 CSURRHLSUZTFNI-UHFFFAOYSA-N 367.409 1.572 0 50 FDAA Cc1cc(C)n2nc(CC(=O)N3CCC(Nc4cccnn4)CC3)nc2n1 109636595 ZCNRKFPJIILFJP-UHFFFAOYSA-N 366.429 1.177 0 50 FDAA COC[C@H](CO)NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C 225433550 DCFIQWRGDWJLNM-AWEZNQCLSA-N 351.834 1.809 0 50 FDAA C[C@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)c2cc(Br)ccc2O1 195277267 KNMSNRDLNHCFSL-IUCAKERBSA-N 362.245 1.996 0 50 FDAA Nc1ncccc1CN1CCCN(C(=O)c2cnc(C3CC3)nc2)CC1 1529190202 GKWMBROMEAPARK-UHFFFAOYSA-N 352.442 1.679 0 50 FDAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N2CC(N3CCCCC3)C2)OCC(=O)N1C 1529141954 AWQHRLWCESYXGR-UXHICEINSA-N 371.481 1.590 0 50 FDAA CN1C(=O)[C@H]2COC[C@@H]1CN(Cc1ccc(OCc3ccccn3)cc1)C2 1704309365 ROBQSAVGBKDMDM-MJGOQNOKSA-N 367.449 1.950 0 50 FDAA COc1cccc(SCC(=O)N2C[C@@H]3COCC[C@]3(C(=O)O)C2)c1 1772708455 IENIXHVXAZLGMD-PXAZEXFGSA-N 351.424 1.737 0 50 FDAA O=C(CCn1cnnn1)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2)C1 11839358 GCDSTFXATZGJQY-IBGZPJMESA-N 372.448 1.717 0 50 FDAA COc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2N2CCCC2)cc1C 19820995 SLFYMRQDMQIQPO-GDBMZVCRSA-N 373.496 1.039 0 50 FDAA N=c1[nH]c2cc(-c3nc(CC(N)=O)nn3[C@@H]3CCCC[C@H]3O)ccc2s1 1857675349 USUCKLMGLKKHLG-VXGBXAGGSA-N 372.454 1.471 0 50 FDAA O=C(COc1ccc(F)cc1)N1CC[C@H]2[C@@H]1CC(=O)N2C1CCOCC1 1857693653 GJELOMRDOQCGNT-IRXDYDNUSA-N 362.401 1.585 0 50 FDAA COC(C)(C)C(=O)N1CC[C@@H](O)[C@]2(CCCN(C(=O)C3CCCC3)C2)C1 1857699655 XTCPWQIVZYBOIS-UZLBHIALSA-N 366.502 1.804 0 50 FDAA Cc1ncccc1C(=O)NC[C@H]1[C@H]2CN(C3CCOCC3)C[C@]23CC[C@H]1O3 1857736688 WQPDYBJXXUFJNR-QEUVDIPISA-N 371.481 1.778 0 50 FDAA O=C(Cc1csc(N2CCCNC2=O)n1)N1CCO[C@H](C(F)F)C1 225757170 NQLZCMKXBZZHMM-JTQLQIEISA-N 360.386 1.098 0 50 FDAA O=C(NCc1ccccn1)C1CCN(C(=O)[C@@H]2CC[C@H](C(=O)O)C2)CC1 247375784 IFFNVAXWGIJOLJ-CABCVRRESA-N 359.426 1.437 0 50 FDAA COCCN1C[C@H]2CN(C(=O)C3(c4ccccc4)CC3)C[C@@]2(C(=O)O)C1 247831778 HTPFOQYWXGGPBY-JXFKEZNVSA-N 358.438 1.210 0 50 FDAA NS(=O)(=O)Cc1cccc(C(=O)N2CCCC[C@H]2CCC(=O)O)c1 262140580 ABIIVYZPHUTRHZ-AWEZNQCLSA-N 354.428 1.335 0 50 FDAA O=C1N[C@H](C(F)(F)F)CC[C@H]1C(=O)N1CC[C@@H](OCc2ccncc2)C1 265156473 CTBLNKFCVSPWNX-MCIONIFRSA-N 371.359 1.656 0 50 FDAA C=CC(=O)N1CCC(C(=O)N2CC(NC(C)=O)C2)(c2ccccc2)CC1 847863243 BKNJZXBUVIWNRN-UHFFFAOYSA-N 355.438 1.080 0 50 FDAA Cn1ccc2c(C(=O)N3C[C@H]4COC[C@@H]3CN(CC(=O)O)C4)cccc21 1704326777 MLUXXFHQKWFKTF-KBPBESRZSA-N 357.410 1.036 0 50 FDAA CNC(=O)[C@H]1Cn2c(C)nnc2CN1C(=O)c1cc2cccc(C)c2o1 818364431 LDGMEEMTIWXCGY-CYBMUJFWSA-N 353.382 1.412 0 50 FDAA CN(C)Cc1cn(CC(=O)N2[C@H]3CC[C@H]2CC(O)(c2ccccc2)C3)nn1 2325806024 MSORWEVCHGAXQK-ROUUACIJSA-N 369.469 1.381 0 50 FDAA C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 1065506 CGXPLEWUHCHUHN-LBPRGKRZSA-N 362.407 1.763 0 50 FDAA COc1ccc(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 1140389 LQXIUDABUZYCGU-UHFFFAOYSA-N 356.425 1.868 0 50 FDAA C[C@@H](Cn1cncn1)NC(=O)c1cc2c(s1)C1(CCNCC1)OCC2 2356163736 OYBVBTMPMBVOQQ-LBPRGKRZSA-N 361.471 1.310 0 50 FDAA Cc1cccc(NCCn2c(C)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)c1 10049273 TVSSJGHARYCBDD-UHFFFAOYSA-N 352.398 1.405 0 50 FDAA C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 247995537 BCTGQIJXOQQSRZ-OVARMSRNSA-N 360.454 1.505 0 50 FDAA COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cccnc3)=C2)cc1 20219978 JPIUSEJVINFZIM-UHFFFAOYSA-N 372.406 1.592 0 50 FDAA Cc1nc[nH]c1CN1CCc2ncnc(N3CC[C@@H](N(C)C)C3)c2CC1 106959939 ZTJIZXFJFAKSMN-OAHLLOKOSA-N 355.490 1.249 0 50 FDAA O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)OCC(=O)c1ccccc1 104313533 UHLFESIZBNNHMZ-HSGSIZQLSA-N 365.385 1.466 0 50 FDAA CS(=O)(=O)N(CC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc2c(c1)OCO2 101469386 MNCHZQOTNGJPLM-OBJOEFQTSA-N 366.439 1.486 0 50 FDAA CC[C@@H]1C(=O)N(C)CCN1C(=O)c1cc(COc2ccccc2OC)[nH]n1 67489898 CPXWQFGSRNZNRG-OAHLLOKOSA-N 372.425 1.690 0 50 FDAA O=C(CN1C(=O)CNC1=O)N1CCC[C@@]2(C=Cc3ccccc3O2)CC1 65465708 JSJMJALOSKOZNL-LJQANCHMSA-N 355.394 1.395 0 50 FDAA CCS(=O)(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(C)n2)CC1 65365058 FGNWEAIELRHFIN-UHFFFAOYSA-N 364.475 1.059 0 50 FDAA Cn1ccn2ncc(C(=O)N3CC[C@@H](c4ccc5c(c4)OCO5)[C@H](O)C3)c12 67562904 MYIQUCPPXNWFHV-DZGCQCFKSA-N 368.393 1.392 0 50 FDAA C[C@H]1CCCN(S(=O)(=O)c2cn(C)nc2C(F)(F)F)[C@@H]1C(=O)O 424373777 YIJHXXMNBJIKRP-CBAPKCEASA-N 355.338 1.313 0 50 FDAA Nc1nc(N2CCOCC2)cc(N2CCC(CCN3CCCC3=O)CC2)n1 65495190 MCPZCKDEYSKEAI-UHFFFAOYSA-N 374.489 1.124 0 50 FDAA Cc1nc(CN(C)[C@H]2CCCN(Cc3cnc4ncccn34)CC2)no1 328630718 JPYJPUUSRNHKEU-HNNXBMFYSA-N 355.446 1.907 0 50 FDAA O=C(c1nnc(N2CCC(F)(F)C2)n1C[C@H]1CCOC1)N1CCCC1 328847087 QSDKQFLQKYQRPB-GFCCVEGCSA-N 355.389 1.396 0 50 FDAA O=C1N(CC2CC2)CCC[C@@]1(O)CNCC1(O)C2CC3CC(C2)CC1C3 67872680 DVAPFJVRYDXBDT-SGRZJPDBSA-N 362.514 1.527 0 50 FDAA CC(C)c1cc(C(=O)N2CC[C@H](Nc3ccc4nccn4n3)C2)nn1C 329074691 ABGKQZKBUCWRNW-ZDUSSCGKSA-N 353.430 1.913 0 50 FDAA CCN(CC)[C@@H]1CCN(C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)C1 174152525 RCTTUXKUYWMXSM-DLBZAZTESA-N 350.507 1.857 0 50 FDAA Cc1ccc(CN2CCN(c3nc(C(N)=O)cs3)C[C@@H]2CCO)o1 72440540 SABODABDLZNCGN-LBPRGKRZSA-N 350.444 1.217 0 50 FDAA C[C@H]1NC(C(=O)Nc2c3c(nn2C)CCC3)=NN(c2ccccc2)C1=O 363605184 DAWSHXNYGALEQQ-LLVKDONJSA-N 352.398 1.186 0 50 FDAA Cc1nn(CCNC(=O)[C@H]2CC3(CCNCC3)CN2C)c(C)c1Cl 72418840 ZYDQVSUNACIIGZ-CQSZACIVSA-N 353.898 1.343 0 50 FDAA Cc1cc(-n2cccn2)ccc1CN1CCN(CCS(C)(=O)=O)CC1 215332384 HSNMVNPJHAMLLM-UHFFFAOYSA-N 362.499 1.343 0 50 FDAA O=C(c1c[nH]c(=O)c(Cl)c1)N1CCN(c2ncnc3ccccc23)CC1 72479948 JFXCYACWWNVZJF-UHFFFAOYSA-N 369.812 1.934 0 50 FDAA Cc1cn(CC(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c(=O)[nH]c1=O 72478077 BLWHOJWDUYRWMQ-ZDUSSCGKSA-N 367.409 1.128 0 50 FDAA Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCC[C@H]1C(=O)O 262134059 OLPOSFKOANOOGH-AWEZNQCLSA-N 352.412 1.125 0 50 FDAA Cn1cc(N2CC[C@H](N3C(=O)CN(Cc4ccc(F)cc4)C3=O)C2)cn1 372900610 GEWNWICBOROXPZ-HNNXBMFYSA-N 357.389 1.602 0 50 FDAA O=C(O)[C@@H]1COCCN1C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 262525196 RPHAXRFPJVPJKS-ZDUSSCGKSA-N 369.299 1.817 0 50 FDAA Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(C(=O)c2cocn2)C1 72426027 XYRLTVCIUXQOAA-AWEZNQCLSA-N 358.446 1.809 0 50 FDAA O=c1[nH]c(-c2cccnc2)nc2c1CCN(S(=O)(=O)c1cccs1)C2 72172531 CUQABAOBIOQCBY-UHFFFAOYSA-N 374.447 1.640 0 50 FDAA CC[C@H]1CN(S(=O)(=O)N2CCCC2)CCC(=O)N1Cc1ccccc1 71752242 KKVIEDMNKLPZQX-KRWDZBQOSA-N 365.499 1.840 0 50 FDAA Cn1cnnc1SCC(=O)N1CCN([C@@H]2CCc3ccccc3C2)CC1 72149888 DKOPKJNBLYBIIC-QGZVFWFLSA-N 371.510 1.609 0 50 FDAA Cc1cc(C)n([C@H](C)C(=O)N2CCc3c(ncnc3N3CCOCC3)C2)n1 71752581 GCTYRMUYFQRNEN-OAHLLOKOSA-N 370.457 1.272 0 50 FDAA CC(C)(C(=O)N1CC[C@@H](CNC(=O)N2CCCC2)[C@H](O)C1)n1cccc1 72435584 CENSLFFCOSPAQX-JKSUJKDBSA-N 362.474 1.238 0 50 FDAA CNC[C@@H]1CCCN(C(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCC2)C1 223525089 DBZOYWCSSYXPHN-HNNXBMFYSA-N 364.511 1.970 0 50 FDAA CC(=O)Nn1ccc2c(nnc3c(-c4ccc(F)cc4)c(C)nn32)c1=O 40392043 BXGTYONVJPZJIU-UHFFFAOYSA-N 352.329 1.644 0 50 FDAA COc1cccc(-c2cc(CNC(=O)CN3C(=O)NC(C)(C)C3=O)no2)c1 223938748 FOPNPGLFJDXIKI-UHFFFAOYSA-N 372.381 1.297 0 50 FDAA NCCOc1ccc(Cl)cc1C(=O)N1C[C@H](O)[C@@H](N2CCCCC2)C1 426493938 FBMVXDWTMPIICC-HOTGVXAUSA-N 367.877 1.349 0 50 FDAA Cc1nn(CCCNC(=O)c2nn(C)cc2C(=O)O)cc1Br 20602557 OEUQAOBGTTWQFP-UHFFFAOYSA-N 370.207 1.206 0 50 FDAA O=C(CCc1nc(-c2ccccc2F)no1)N1CCN2C(=O)OC[C@H]2C1 426648215 XJNJEABGYIVSBV-LLVKDONJSA-N 360.345 1.471 0 50 FDAA Cc1nnc(SCC(=O)N[C@@H]2CCOC[C@H]2Oc2cccc(F)c2)o1 222388881 ALSZCQSFYKWMPQ-ZIAGYGMSSA-N 367.402 1.962 0 50 FDAA CNc1cc(C)nc(N2CCCn3nc(CNC(=O)C4CCC4)cc3C2)n1 82166932 WYAMPYDJIKMECD-UHFFFAOYSA-N 369.473 1.850 0 50 FDAA O=C(Cn1cnc2ccccc21)N[C@@H]1COCC[C@@H]1OCc1cscn1 220438939 RHPKXNIBVHKJPL-WBVHZDCISA-N 372.450 1.983 0 50 FDAA Cc1ncsc1CCC(=O)N1CCC(C(=O)N2CCOCC2)CC1 82138348 WDEBDTQGTNXPQB-UHFFFAOYSA-N 351.472 1.482 0 50 FDAA O=C([C@@H]1CCCN(Cc2c[nH]nc2-c2cccnc2)C1)N1CCOCC1 179894188 GNVYESVVHDSWGW-MRXNPFEDSA-N 355.442 1.543 0 50 FDAA CCc1nn(C)c(Cl)c1CN1CCC2(CC1)[C@@H](C(=O)O)CC(=O)N2C 95378714 IZIKVZZWKALGNG-GFCCVEGCSA-N 368.865 1.533 0 50 FDAA COCCn1ccnc1[C@@H]1CCCN(C(=O)CSc2nnc(C)o2)C1 95501536 OIQRLGKEJISITQ-CYBMUJFWSA-N 365.459 1.719 0 50 FDAA CCc1ccc(-n2cnnc2)cc1NC(=O)NCCCN1CCCC1=O 96136083 VQUJMBHAMTZHSC-UHFFFAOYSA-N 356.430 1.964 0 50 FDAA O=C([C@@H]1CCCN1C(=O)c1cc(-c2ccccc2F)n[nH]1)N1CCOCC1 91770393 STEXRIVVXQSMOG-KRWDZBQOSA-N 372.400 1.679 0 50 FDAA CO[C@H](C)C(=O)N1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1 91586155 FPVMJKYLICKPQE-MRXNPFEDSA-N 359.470 1.890 0 50 FDAA O=C(O)[C@H]1c2[nH]cnc2CCN1C(=O)c1cc(-c2ccccc2F)[nH]n1 96132736 XTQJUSNVCSZCLB-OAHLLOKOSA-N 355.329 1.763 0 50 FDAA CC(C)Cc1noc([C@H](C)NC(=O)c2ccc(Cn3cnnn3)cc2)n1 97570782 ATAJAHUXTKALAQ-LBPRGKRZSA-N 355.402 1.794 0 50 FDAA O=C(C[C@@H]1C=CS(=O)(=O)C1)N1CCn2nc(Cc3ccccc3)cc2C1 97716927 POSOQBJITOWCOA-INIZCTEOSA-N 371.462 1.765 0 50 FDAA Cc1ccc(C)c(OCCCN(C)C(=O)C[C@@H]2C(=O)N(C)C(=O)N2C)c1 91965470 NZNBJNBVPJEYKO-OAHLLOKOSA-N 361.442 1.813 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)CC(F)(F)F)CN1Cc1ccc(C)o1 96141499 JGJOWAISXACQGM-AAEUAGOBSA-N 361.364 1.736 0 50 FDAA COc1ccc(F)cc1[C@@H](NC(=O)Cn1ccccc1=O)[C@H]1C[C@H](O)C1 244594207 DIEQUEHMIFMDEE-PJFSTRORSA-N 360.385 1.624 0 50 FDAA CC(C)(CN1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N[C@H]1CC[C@H](O)CC1)N1CCCCC1 244874768 XGZRQFUWVFDXSY-HWHMVJPJSA-N 363.546 1.848 0 50 FDAA CC(C)N1C(=O)N[C@@H]2CN(Cc3cn(C)nc3-c3cccnc3)CC[C@@H]21 299746075 VEBJZVVIYSUDLR-SJORKVTESA-N 354.458 1.859 0 50 FDAA COCC(=O)N1CC[C@@H](NC(=O)c2cccc(-c3ccc(C)o3)c2)[C@H](O)C1 299784503 HKMUFMUYAONYIF-IAGOWNOFSA-N 372.421 1.593 0 50 FDAA C[C@@H]1CCCCN1C1CN(C(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1 299778018 LPDUFEHKJNBMCV-MRXNPFEDSA-N 371.481 1.858 0 50 FDAA Cc1nccnc1CN1CCn2nc(CNC(=O)C3CCCC3)cc2C1 299778777 QTLNYAVSNMWEHO-UHFFFAOYSA-N 354.458 1.804 0 50 FDAA CC(C)CN1CCN(C(=O)c2ccccc2-n2cnnc2)C[C@H]1CCO 299760784 OZIXBFJQNHWTLD-MRXNPFEDSA-N 357.458 1.432 0 50 FDAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)c1cc(=O)n(-c3ccccc3)[nH]1)CC2 299773993 DHFLQYYKACDEPW-SIXWZSSISA-N 357.410 1.310 0 50 FDAA COc1nccnc1N1CCN(C)[C@@]2(CCC(=O)N(CC3CC3)CC2)C1 824853291 WQAMRZWWGAGTHJ-LJQANCHMSA-N 359.474 1.398 0 50 FDAA CCNC(=O)c1c(NC(=O)C[C@@H]2CNCCO2)sc2c1CCCC2 67757224 IZVPHGCMDNIOSF-LLVKDONJSA-N 351.472 1.694 0 50 FDAA CCn1nc(C)c(C(=O)N2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)n1 952848237 IUEAGAYEUQNSEP-KGLIPLIRSA-N 355.446 1.868 0 50 FDAA CC(C)c1cc(C(=O)N2CCOC3(CN(Cc4cnsn4)C3)C2)n[nH]1 952893839 KBSVGWMSHTXGBL-UHFFFAOYSA-N 362.459 1.112 0 50 FDAA FC(F)(F)[C@]1(c2nc(Cn3cncn3)no2)CCN(c2ccccn2)C1 952894246 MJZXXOHGHPDYTM-CQSZACIVSA-N 365.319 1.815 0 50 FDAA O=C1CC(C(=O)N2CCOC[C@@H]2c2cccc(Br)c2)=NN1 1875268016 QAHYIUPMGAQEES-GFCCVEGCSA-N 352.188 1.225 0 50 FDAA COc1ccc2nc(C)c(C(=O)N3C[C@@H](C)O[C@](C)(C(F)F)C3)n2n1 1875268195 JQGNAYVYTBDXJB-ABKXIKBNSA-N 354.357 1.931 0 50 FDAA C=CC(=O)N1CCC(C(=O)N2CCOC[C@]2(CO)c2ccccc2)CC1 1875384357 FZWZFLKDUQRWAN-HXUWFJFHSA-N 358.438 1.158 0 50 FDAA O=C(NC1(c2cn(C3(C(=O)O)CC3)nn2)CC1)c1cc2scnc2[nH]1 1875355997 QMQVTMBCDHWSIA-UHFFFAOYSA-N 358.383 1.209 0 50 FDAA C=CC(=O)N1CCC(C(=O)N[C@@H]2CCOC3(CCSCC3)C2)CC1 1875370483 QNIRHBKSRYDRTG-OAHLLOKOSA-N 352.500 1.972 0 50 FDAA O=S(=O)(NCCc1nc(-c2cc(C3CC3)[nH]n2)no1)c1ccccc1 1875318528 QWNRLBHRZBXRLZ-UHFFFAOYSA-N 359.411 1.858 0 50 FDAA COc1ccccc1C(=O)NC[C@@H]1CCCN1C(=O)C1CCN(C)CC1 1875328578 ZPDZLHOZRJNAHT-INIZCTEOSA-N 359.470 1.758 0 50 FDAA O=C(c1ncn2c1COc1ccccc1-2)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O 1875309997 XYHDTEUPSTVCIZ-UXGGDIESSA-N 357.435 1.890 0 50 FDAA Cc1nc(C(=O)NCc2ncoc2C)nc(N2CC[C@@H](N(C)C)C2)c1C 1875402792 LRRXFSHIJLUYIR-CQSZACIVSA-N 358.446 1.460 0 50 FDAA O=C(N[C@@H]1CN(c2ncc3c(n2)COC3)CC2(CCC2)C1)[C@@H]1CCOC1 1875408500 YCMPLOZDJCRTKO-HIFRSBDPSA-N 358.442 1.409 0 50 FDAA CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@]2(C)c2ccccc2)Cc2nccn2C1 1875406996 QOGPTVBTPMLYAW-ABSDTBQOSA-N 352.438 1.708 0 50 FDAA COCCc1noc([C@H]2CCCCN2C(=O)c2cnn3ccn(C)c23)n1 952977061 JBFOIBXOOPXYQT-CYBMUJFWSA-N 358.402 1.612 0 50 FDAA COc1ccc(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2O)cc1F 1565508610 SGYCMBPVQIDSPT-IRXDYDNUSA-N 359.401 1.595 0 50 FDAA COC[C@H]1CCCCN1S(=O)(=O)c1ccc(OCC(=O)O)c(F)c1 414342140 IKJAUPSVUJYTNN-LLVKDONJSA-N 361.391 1.479 0 50 FDAA O=C(NCc1ccnc(N2CCCC2)c1)N1CCO[C@@H](Cn2cccn2)C1 111811776 XHFJJECHVLAXED-QGZVFWFLSA-N 370.457 1.489 0 50 FDAA CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(CN)nc2C2CC2)C1 170068565 AJGQZFJIOZDOSQ-GXTWGEPZSA-N 351.472 1.503 0 50 FDAA CN(C)C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 198210953 BRFZRWOGFIBQOF-UHFFFAOYSA-N 361.833 1.690 0 50 FDAA Nc1ncccc1CN1CCCN(C(=O)c2ccc3c(c2)CCO3)CC1 1529109551 DVVKCTPUZFMWAQ-UHFFFAOYSA-N 352.438 1.947 0 50 FDAA CCS(=O)(=O)N1CCN(c2noc(-c3ccccc3)c2C(=O)O)CC1 1704311455 KLUSSGUOYDVHCJ-UHFFFAOYSA-N 365.411 1.512 0 50 FDAA Cc1nc(-c2cccnc2)ncc1C(=O)N1C[C@H]2CCN(C)C(=O)[C@H]2C1 1772806753 KIASCEOTIMRYCH-ZBFHGGJFSA-N 351.410 1.397 0 50 FDAA COc1cc(S(=O)(=O)N2C[C@@H]3CNC(=O)C[C@@H]3C2)c(OC)cc1Cl 1775979960 QNGVCNNAXQOWGR-ZJUUUORDSA-N 374.846 1.114 0 50 FDAA O=C1CC[C@@H](C(=O)N2CCCN(Cc3ccccc3OC(F)F)CC2)N1 1772710881 ULPKQJFHWAEREL-AWEZNQCLSA-N 367.396 1.601 0 50 FDAA CCCN1C[C@@H]2COC[C@H](C1)N(C(=O)CCc1c(C)nc(O)nc1C)C2 1772703306 ZODNCQDIVQZSOJ-HOTGVXAUSA-N 362.474 1.301 0 50 FDAA Cc1cc(C)n(CCCNC(=O)[C@H]2CCCN(C3CCN(C)CC3)C2)n1 11879882 BTBMADQEPCSVNX-SFHVURJKSA-N 361.534 1.812 0 50 FDAA O=C(Cn1nc2ccccc2n1)N[C@@H]1CC(=O)N(C2CCCCCC2)C1 12702588 YPAMSRGNJWAOQJ-CQSZACIVSA-N 355.442 1.871 0 50 FDAA COC(=O)CCCC(=O)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 12716088 UMZLDHXHWKHXNO-IBGZPJMESA-N 350.459 1.971 0 50 FDAA Cc1cc(Cl)ccc1-n1nc(CC(N)=O)nc1[C@H]1CCc2ncnn2C1 1857674287 BPNVXHQUNSPLJW-NSHDSACASA-N 371.832 1.578 0 50 FDAA O=C(Cn1c(C2CC2)nc2ccccc21)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857695828 ZMACVPGLGNLXCF-JEBQAFNWSA-N 355.438 1.912 0 50 FDAA COc1ccccc1-n1cc(S(=O)(=O)N[C@H]2CCC[C@@H]2CN)cn1 237111516 NDGBSEWHEGINHL-OCCSQVGLSA-N 350.444 1.287 0 50 FDAA CC(C)n1cnc(S(=O)(=O)N2CCN([C@@H](C)C(F)(F)F)CC2)c1 153838194 IBIFARZVMPHSFE-NSHDSACASA-N 354.398 1.721 0 50 FDAA O=C1CC[C@H](OC(=O)c2nc3ccccc3cc2Br)C(=O)N1 808704887 MKNAPNMYJWSXMQ-NSHDSACASA-N 363.167 1.959 0 50 FDAA O=C1C[C@H](NC2CCN(c3ncccn3)CC2)C(=O)N1c1ccc(F)cc1 4738644 KJMMVXZTXUOYLF-INIZCTEOSA-N 369.400 1.506 0 50 FDAA O=C(c1ncccc1O)N1CCC[C@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2100483306 YXBDMRDLNSSMGB-AVYPCKFXSA-N 373.453 1.688 0 50 FDAA Nc1ncc(C(=O)N2CCN(C(=O)CC(F)(F)F)CC2)cc1Cl 2325702280 FRQZDLQXZMKIJE-UHFFFAOYSA-N 350.728 1.554 0 50 FDAA O=C(N=c1ccn(Cc2ccncc2)[nH]1)c1csc([C@H]2CCCNC2)n1 2325768541 TYHCYEOAIYWKCA-AWEZNQCLSA-N 368.466 1.924 0 50 FDAA Cc1ccn(-c2ccnc(C(=O)N3CCN(c4ccncc4)C[C@H]3C)n2)n1 2325792976 ZSIKBXYCMBAYLU-OAHLLOKOSA-N 363.425 1.717 0 50 FDAA O=C(N[C@@H](CO)Cc1cccc(F)c1)[C@@H](O)c1cc(F)c(F)c(F)c1 2325860262 AXXKNFWKSGLODJ-WBMJQRKESA-N 357.303 1.996 0 50 FDAA O=C(NCc1cc2ccc(F)cc2nc1O)c1cc2cncn2c(O)n1 2325875974 HJRLZXXSBLYGFE-UHFFFAOYSA-N 353.313 1.758 0 50 FDAA CN(C)C(=O)[C@H]1CN(c2nccc(-c3ccc(N(C)C)cc3)n2)CCO1 2356137568 PXFCYPLVWYQRFZ-QGZVFWFLSA-N 355.442 1.503 0 50 FDAA CN(C)[C@H]1CC[C@@H](CNC(=O)Cc2ccc(S(C)(=O)=O)cc2)CC1 2356138984 UKJKAYPGVAAXKZ-IYBDPMFKSA-N 352.500 1.869 0 50 FDAA CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NC)CC1 4488078 ZRABUOPJKUWEAZ-UHFFFAOYSA-N 360.863 1.885 0 50 FDAA CN(Cc1nc(-c2ccncc2)no1)C(=O)c1nc(=O)[nH]c2ccccc12 20785332 GERLZRZEMMAMHD-UHFFFAOYSA-N 362.349 1.640 0 50 FDAA CS(=O)(=O)N1CCC(NC(=O)Nc2cccc(-c3cnco3)c2)CC1 52470920 LNQGQOQYTBYNOQ-UHFFFAOYSA-N 364.427 1.887 0 50 FDAA CCN1CCC(N2CCN(C)[C@@]3(CCC(=O)N(CCOC)CC3)C2)CC1 107418389 BXGIJZXVXXJVEK-HXUWFJFHSA-N 366.550 1.116 0 50 FDAA O=C(Cn1ncn2cccc2c1=O)N1CCC[C@H](OCc2ccccn2)C1 20363208 FZLRCHRPADVUTA-INIZCTEOSA-N 367.409 1.099 0 50 FDAA COc1ccc(Cc2ncc3c(n2)CN(C(=O)[C@@H](N)CCCCO)C3)cc1 67712680 UTYODWTWPQTEGD-KRWDZBQOSA-N 370.453 1.408 0 50 FDAA Cn1cnnc1Sc1ccc(CN2CCn3nc(C(=O)O)cc3C2)o1 65470751 WVQFTRXTCLTAJB-UHFFFAOYSA-N 360.399 1.470 0 50 FDAA Cc1cc(N2CCC(n3cc(C(=O)N4CCCCC4)nn3)CC2)nc(N)n1 67756142 RFPMAMZZEKUNKY-UHFFFAOYSA-N 370.461 1.426 0 50 FDAA O=C1O[C@@H]2CN(c3nnnn3-c3ccccc3)C[C@@H]2N1Cc1ccccn1 67935045 OINXBHGBMUSGDF-JKSUJKDBSA-N 363.381 1.267 0 50 FDAA O=C1NCCN2CCN(C(=O)c3ccccc3-c3ccccc3F)C[C@H]12 65396454 XFZVWPSZEFJOCU-GOSISDBHSA-N 353.397 1.749 0 50 FDAA O=C(c1cccnc1O)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1 328629342 ORUWKVIPBWZGAO-HNNXBMFYSA-N 355.398 1.391 0 50 FDAA COc1ccc2c(C)c(C(=O)N3CCn4c(C(N)=O)cnc4C3)oc2c1 67946213 AJGGTUWDFXAEKG-UHFFFAOYSA-N 354.366 1.701 0 50 FDAA CN(C(=O)CCn1cnnn1)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 12708816 YSFUCAYYLVUWLH-QGZVFWFLSA-N 354.458 1.153 0 50 FDAA Cc1nc(C2CCN(Cc3noc(C)n3)CC2)cc(N2CCOCC2)n1 72476586 XQPMFVRAKSJNJS-UHFFFAOYSA-N 358.446 1.693 0 50 FDAA Nc1ccnc(N2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)n1 71752570 CAZNNKXSVPGTAE-UHFFFAOYSA-N 351.414 1.376 0 50 FDAA C[C@H](NC(=O)CCn1cnc2ccccc2c1=O)c1cn2ncsc2n1 218878476 CSLIFUZVBRYSNI-NSHDSACASA-N 368.422 1.768 0 50 FDAA COc1cncc(C(=O)Nc2ccc3nc(N4CCOCC4)[nH]c3c2)n1 483839320 MFPNUWRFMXTHQN-UHFFFAOYSA-N 354.370 1.450 0 50 FDAA COc1ccc(N[C@H]2CCN(c3ccccc3F)C2=O)cc1OCC(N)=O 363573745 WJGJGBLTLLWZOW-AWEZNQCLSA-N 373.384 1.916 0 50 FDAA O=C(C1CCCC1)N1CCN(Cc2ccncc2)[C@@H]2CS(=O)(=O)C[C@@H]21 72410067 OISMTEYHDRMGPU-SJORKVTESA-N 363.483 1.082 0 50 FDAA COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3ccccn3)CC2)C1 71747034 YEFUSZAGOMLHIT-INIZCTEOSA-N 374.485 1.161 0 50 FDAA CCN1CCN(c2nc(-c3ccccc3)nc3c2CCNCC3)CC1=O 72411863 UXLUVKWQQHJFCT-UHFFFAOYSA-N 351.454 1.500 0 50 FDAA OC[C@]1(O)CCCN(Cc2cc3ccccc3nc2N2CCOCC2)C1 72430254 PTPWLAUOPIHHGP-FQEVSTJZSA-N 357.454 1.391 0 50 FDAA COc1cc(OC)c(C(=O)N2CCC[C@@]3(CN(C)C(=O)O3)C2)cc1OC 72167520 MOAOUMKPQFYDHK-GOSISDBHSA-N 364.398 1.769 0 50 FDAA C[C@@H]1Oc2ccccc2N(CC(=O)NCc2cnn3ccccc23)C1=O 375910366 SHMRSPZKWWQQKB-ZDUSSCGKSA-N 350.378 1.765 0 50 FDAA CCNc1cc(C)nc(NCCNS(=O)(=O)c2cc(F)ccc2F)n1 77134144 DLBMCSJKOXYDOM-UHFFFAOYSA-N 371.413 1.885 0 50 FDAA Nc1nc(C2CC2)ncc1C(=O)N1CCC(n2nnc3c2CCCC3)CC1 376741887 DDLQLBVUTHAWAI-UHFFFAOYSA-N 367.457 1.884 0 50 FDAA Cc1nc(C(C)C)sc1C(=O)N1CCN(C)[C@@H]2CS(=O)(=O)C[C@@H]21 77503957 BVHWGLRZOYINBN-NEPJUHHUSA-N 357.501 1.128 0 50 FDAA O=C(N[C@H]1C[C@@H](C(=O)O)C1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 263360610 YHDBYJRIIZZYDS-GUTXKFCHSA-N 366.439 1.209 0 50 FDAA CCc1nn(C)c(Cl)c1CN1CCN(c2ccnc3nncn23)CC1 215519743 JJQDGHRGXSKMAM-UHFFFAOYSA-N 360.853 1.396 0 50 FDAA Cc1cc(N2CCCN(C(=O)[C@@H]3CCCO3)CC2)n2nc(C)c(C)c2n1 72479484 VKNPISQZYAZMRA-INIZCTEOSA-N 357.458 1.872 0 50 FDAA Cc1cc(NC(=O)N2CCO[C@]3(CCCOC3)C2)n(-c2ccccn2)n1 286443768 LXOULWCEIHBGRM-GOSISDBHSA-N 357.414 1.989 0 50 FDAA Cc1ccc(S(=O)(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)cc1C 263485638 MNPPQEDLCKVZDZ-UHFFFAOYSA-N 366.483 1.909 0 50 FDAA COc1cnccc1N1CCN(C(=O)NC2CCC(C(=O)O)CC2)CC1 263456106 HJPIWAIGWZTNPV-UHFFFAOYSA-N 362.430 1.565 0 50 FDAA CCOc1ccc(CN2CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)CC2)cc1 46180261 BZBOPESBLMHLPS-GOSISDBHSA-N 373.497 1.986 0 50 FDAA Cc1noc(C)c1CC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1 223319033 YDBVABSYMGBUBR-QZTJIDSGSA-N 360.410 1.679 0 50 FDAA COC(=O)c1sc(Cl)cc1S(=O)(=O)N1CCC(C(N)=O)CC1 44893831 HOGKJQDNWGHPBN-UHFFFAOYSA-N 366.848 1.074 0 50 FDAA Cc1cc(C)n(CCNC(=O)Nc2cc(F)cc3c2NC(=O)CC3)c(=O)n1 426503727 WHVFANHXALWOQA-UHFFFAOYSA-N 373.388 1.706 0 50 FDAA O=C(c1cc(-c2ccccc2)on1)N1CCCN([C@H]2COC[C@@H]2O)CC1 82156980 STNRRQPDPATVIH-IRXDYDNUSA-N 357.410 1.249 0 50 FDAA O=S(=O)(N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1)N1CCCCC1 223737834 CJMCVVYRYISJHL-IAGOWNOFSA-N 370.471 1.036 0 50 FDAA Cc1cccc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(N)=O)cc2)n1 223799792 QZQJZZPSIJTGPY-NVXWUHKLSA-N 355.394 1.455 0 50 FDAA Cc1cc(C)n(CCC(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N2CCCCC2)c(=O)n1 223852161 HIPOQIZTJZVGCG-QXCFHYIPSA-N 374.485 1.008 0 50 FDAA Cc1ccc(OCCN)c(C(=O)N2CCC(N3CCSCC3)CC2)c1 426728115 BDSCGTCQYVRERV-UHFFFAOYSA-N 363.527 1.986 0 50 FDAA COc1cccc(N2CCN([C@H](C(=O)O)c3ccc(CO)cc3)CC2=O)c1 95376026 RYCPYYOSKVDJHF-IBGZPJMESA-N 370.405 1.662 0 50 FDAA CN(C)C(=O)N1CCC(C(=O)N2CCC[C@@](CO)(CC3CC3)C2)CC1 91807026 VBXPCKXZZKBJCG-LJQANCHMSA-N 351.491 1.781 0 50 FDAA O=C1NC2(CCN(C(=O)CCN3CCCC3=O)CC2)C[C@H]1c1ccccc1 95374395 RXVQLUBRUYZFNF-KRWDZBQOSA-N 369.465 1.664 0 50 FDAA CCCCNC(=O)CN(C)S(=O)(=O)c1cccc(C(=O)N(C)CC)c1 95353173 XAZXRSGYLAVODC-UHFFFAOYSA-N 369.487 1.315 0 50 FDAA Cc1cccc(=O)n1CCC(=O)N1C[C@H](CO)[C@H](CN2CCCCC2)C1 91943703 HXLPXZPBRUGNAX-QZTJIDSGSA-N 361.486 1.100 0 50 FDAA Cc1cc(C)n(C)c(=O)c1C(=O)N1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2 91487082 VOOQIDADPUFLCX-JKSUJKDBSA-N 367.453 1.533 0 50 FDAA CN1CCN(C(=O)N2CCC(c3nccn3Cc3ccccn3)CC2)CC1 91755570 VVHZTYXCIHLIJS-UHFFFAOYSA-N 368.485 1.873 0 50 FDAA COC(=O)c1ccc(C)c(NC(=O)NCCS(=O)(=O)N2CCCC2)c1 95503933 SMYZUDGFDHWHAP-UHFFFAOYSA-N 369.443 1.329 0 50 FDAA Cc1cccnc1NCCNC(=O)c1cnc(-c2ccccn2)nc1O 91636179 LHLVALGNPDCYML-UHFFFAOYSA-N 350.382 1.790 0 50 FDAA Cc1nc(N(C)C)nc(N2CCC[C@@H](c3nccn3CC(N)=O)C2)c1C 95528323 OYGBJJZWZWHNIB-CQSZACIVSA-N 357.462 1.225 0 50 FDAA Cn1c(Cn2ccnc2)nnc1[C@H]1CCCN(C(=O)Cc2cccnc2)C1 95373055 OOZAHFSDTSZXIJ-INIZCTEOSA-N 365.441 1.404 0 50 FDAA COc1ccccc1Cc1nc(CCC(N)=O)n(-c2cccc(C)n2)n1 97495105 GZEYDUDQYXOODU-UHFFFAOYSA-N 351.410 1.988 0 50 FDAA CCc1cc(N[C@@H]2CCN(C(=O)c3ccccn3)C[C@H]2O)nc(N(C)C)n1 244633725 GILOZJOZUKGFBP-GDBMZVCRSA-N 370.457 1.188 0 50 FDAA CCCN1C(=O)N[C@@H](CC(=O)N(C)Cc2ncc(C)c(OC)c2C)C1=O 252489283 JNONSKCQWRGDTQ-ZDUSSCGKSA-N 362.430 1.386 0 50 FDAA O=C(c1cc(-c2ccccn2)n[nH]1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 253399043 CNZBLUGIDNMYQC-KGLIPLIRSA-N 361.405 1.893 0 50 FDAA biogenic O=C(O)CN(CCc1ccccc1)C(=O)c1cccc2c1OCC(=O)N2 299749906 LZVNTPBIYAAMOW-UHFFFAOYSA-N 354.362 1.787 0 50 FDAA C[C@@]1(c2ccc(C(=O)NCc3ccc(C(=O)O)cc3)cc2)NC(=O)NC1=O 299751051 PIHAAIIVJORJEY-IBGZPJMESA-N 367.361 1.369 0 50 FDAA COCc1nc(O)cc([C@H]2C[C@@H](NC(=O)Cn3ncc4ccccc43)C2)n1 253535415 XNQRGOBKGIESLC-OKILXGFUSA-N 367.409 1.741 0 50 FDAA Nc1nc(-c2cccc(C(=O)N[C@@H]3CCOC3)c2)cc(N2CCCC2)n1 534576746 MZPNDNJRXXCCCH-OAHLLOKOSA-N 353.426 1.845 0 50 FDAA O=C(Cn1cccn1)N1CC[C@@H](O)[C@](CCCc2ccccc2)(C(=O)O)C1 1940198069 KXSZNPMZZYJOHC-YLJYHZDGSA-N 371.437 1.570 0 50 FDAA CN1CCN(C2(CNC(=O)c3nn(C)c4ccccc34)CCCC2)CC1 299780659 KTCNMFULBMWMOR-UHFFFAOYSA-N 355.486 1.863 0 50 FDAA CC(C)N1CCC2(CC[C@H](CNC(=O)CSc3nncn3C)O2)CC1 299762084 VPRHWQTZBSGVCS-CQSZACIVSA-N 367.519 1.445 0 50 FDAA O=C1N(Cc2cccc(F)c2F)CCC[C@]1(O)CN[C@H]1CC[C@H](O)CC1 828865037 IHOULYRATQQJJY-DOXZYTNZSA-N 368.424 1.711 0 50 FDAA CS(=O)(=O)N1CCC[C@@H](c2nnc3sc(-c4ccccc4)nn23)C1 824864418 BTPUENQHWUTNGO-GFCCVEGCSA-N 363.468 1.992 0 50 FDAA NC(=O)Cc1nc(C2(Cn3ccnc3)CC2)n(-c2ccc(F)c(F)c2)n1 826842227 NVPZCIXEVBLKJE-UHFFFAOYSA-N 358.352 1.502 0 50 FDAA CN1CCC2(CC1)CN(C(=O)N[C@H](Cc1ccccc1)C(=O)O)CCN2C 670461378 GVGCXNJJASWJSX-QGZVFWFLSA-N 374.485 1.104 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1ccnc(-n2cccc2)c1 1875403404 VYPVZBLGAKUZPK-DJIMGWMZSA-N 351.410 1.638 0 50 FDAA Cn1cnnc1C[C@]1(O)CCCN(c2cccc(-c3ccccn3)n2)C1 952887145 IQCXPTMJNQOMOF-LJQANCHMSA-N 350.426 1.846 0 50 FDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(C)(N4CCOCC4)CC3)n[nH]c21 1875295547 JJXYVRXZMYOOEP-KGLIPLIRSA-N 362.474 1.759 0 50 FDAA COc1ccc(F)c2c1C[C@H](C(=O)Nc1ccc3c(c1)n(C)c(=O)n3C)N2 1875276867 JPYVQKQBLUKNMB-CYBMUJFWSA-N 370.384 2.000 0 50 FDAA O=C([C@@H]1C[C@@H]1c1nc[nH]n1)N1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 1875323554 LUVLKTQLWUUASV-KXUCPTDWSA-N 352.320 1.733 0 50 FDAA CCC(=O)N(C)C[C@H]1CCCN(C(=O)Cn2c(=O)oc3ccccc32)C1 1875315163 KETAJGJWQZIQOR-CQSZACIVSA-N 359.426 1.702 0 50 FDAA O=C(O)COC(=O)c1ccc2c(=O)n(-c3ccccc3F)c(O)nc2c1 1875359812 QKDSZSXUXXKIMI-UHFFFAOYSA-N 358.281 1.472 0 50 FDAA Cc1nccn1-c1cncc(N2CC[C@H](C3CC3)[C@H]2c2nnc(O)n2C)n1 1875400540 ZZTAQIYYVGJQKC-CJNGLKHVSA-N 366.429 1.782 0 50 FDAA O=C(NCCN1C(=O)Cc2ccccc21)NC[C@@H](O)Cc1ccccc1F 884113225 KAQOBQTXFLILHG-INIZCTEOSA-N 371.412 1.618 0 50 FDAA CCc1cc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3CCc3cnc[nH]3)C2)n[nH]1 1565509569 NPNJMYPKTQYGMI-DYVFJYSZSA-N 370.457 1.391 0 50 FDAA NC(=O)c1ccc(O[C@H]2COCC[C@@H]2NC(=O)c2ccc(CO)cc2)cc1 1565527208 JGUNKAOHNNDOGC-ROUUACIJSA-N 370.405 1.244 0 50 FDAA O=C(CN1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F)N1CCNC1=O 280643632 ZPTAOQGQJCAWTP-MFKMUULPSA-N 357.332 1.365 0 50 FDAA O=C(NS(=O)(=O)c1ccc2c(c1)OCO2)c1noc2c1CCCCC2 408485697 HTPXKVQOSFVXNI-UHFFFAOYSA-N 364.379 1.791 0 50 FDAA Cc1ccc(-c2cc(C(=O)Nc3ccn(CCS(C)(=O)=O)n3)[nH]n2)o1 172578497 QBDJUKMHVRTTHM-UHFFFAOYSA-N 363.399 1.472 0 50 FDAA CCC[C@]1(CO)CCCN1C(=O)CSCC(=O)Nc1cc(C)on1 225527783 UOWQVDQDBNFRMW-MRXNPFEDSA-N 355.460 1.808 0 50 FDAA CC(C)(C)NC(=O)Cn1cnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1 225826555 NGALHASIEHLSQI-GFCCVEGCSA-N 367.450 1.501 0 50 FDAA CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCOc4ccc(Cl)cc4C2)[C@@H]3C1=O 1506400610 BGBVIMCLNNIVNF-GGXPGOJBSA-N 374.824 1.473 0 50 FDAA CN1CCC(O)(C(=O)N2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)CC1 1704298610 JAHWHVAYKKTWTJ-VQIMIIECSA-N 369.465 1.053 0 50 FDAA Cc1nonc1CC(=O)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704341608 XRSACRNEQVLCAM-RDTXWAMCSA-N 352.394 1.531 0 50 FDAA COCCn1ccnc1CN1CCC[C@@]2(CCc3cnc(N(C)C)nc32)C1 1704307489 HNDKIZPAWDNKMO-HXUWFJFHSA-N 370.501 1.866 0 50 FDAA COc1cc(C(=O)N2CCCN(C(=O)c3ncccc3C)CC2)ccn1 1704311769 CCJUTVCFLIXRSZ-UHFFFAOYSA-N 354.410 1.782 0 50 FDAA CCOc1ccc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3CC(=O)N(C)C)cc1 219712181 ZXMNGHJEJOORRG-SJORKVTESA-N 359.470 1.596 0 50 FDAA Cc1ocnc1C(=O)N1CC[C@@]2(C1)Cn1c(nnc1C1CCOCC1)CO2 1772807592 ZHZOEDRDECXDBM-GOSISDBHSA-N 373.413 1.284 0 50 FDAA Cc1noc(C)c1-c1nc2c(s1)CC[C@@H](C(=O)N1CCNC(=O)C1)C2 1772819379 KNNVILTYCCNLFQ-LLVKDONJSA-N 360.439 1.478 0 50 FDAA O=C(c1ccsc1)N1C[C@H]2CN(C(=O)C3CCOCC3)C[C@@]2(CO)C1 1772712444 MOLQJYOFQDBEFV-QAPCUYQASA-N 364.467 1.068 0 50 FDAA COc1cc(CN2CCNC(=O)[C@H]2CC(=O)N2CCCC2)cc(OC)c1 12429614 KLCFJMVJDGZNQP-QGZVFWFLSA-N 361.442 1.017 0 50 FDAA CCOC(=O)c1cnn(-c2ccc(C)cc2)c1CNCCn1cncn1 14886645 ALIGTTOUDYWLAH-UHFFFAOYSA-N 354.414 1.739 0 50 FDAA O=S(=O)(Cc1ccc(Cl)cc1Cl)NCCN1CCOCC1 16579619 FXADVCWANWPANF-UHFFFAOYSA-N 353.271 1.745 0 50 FDAA CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)O)ccc1OC 16647672 YCRMCOGMLBSSKT-UHFFFAOYSA-N 364.379 1.554 0 50 FDAA O=C(c1cn2c3c(cccc3c1=O)CC2)N1CCN(c2ccncc2)CC1 19740659 STXJEPJZCLRSNL-UHFFFAOYSA-N 360.417 1.915 0 50 FDAA COc1ccc(C(C)(C)C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)cc1 154691160 VNWCXDLUBKCHPK-CZUORRHYSA-N 368.499 1.807 0 50 FDAA COc1ccc(C(=O)N2CCC3(CC2)CN(C)C(=O)CCO3)cc1F 1857718564 KNCBHNZJZGFVQB-UHFFFAOYSA-N 350.390 1.688 0 50 FDAA O=C(NCc1noc(-c2ccc3c(c2)OCO3)n1)[C@H]1CCn2nccc2C1 1857728718 AGJKPZNHENBHNV-NSHDSACASA-N 367.365 1.541 0 50 FDAA CN1CCO[C@@H](C(=O)NC(C)(C)COc2ncccc2Br)C1 122226889 UTMLNRJUTVGKQT-GFCCVEGCSA-N 372.263 1.448 0 50 FDAA C[C@H](C(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 333511066 LZYVUELSCMNBJV-OVGFGIBUSA-N 372.465 1.432 0 50 FDAA CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2)CC1 13461372 BXAHCUDDQZXTCY-UHFFFAOYSA-N 370.427 1.626 0 50 FDAA in-vitro COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cc3nc(C)cc(C)n3n1)C2 247947409 WYPMYXZWTWRSNV-CABCVRRESA-N 371.441 1.056 0 50 FDAA CC(C)[C@H](NS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1)C(=O)O 262459707 SBELJQZFQXVUDJ-AWEZNQCLSA-N 372.418 1.449 0 50 FDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3nc[nH]c3C(=O)O)C1)CC2 1704316557 UVXNYZGQOYSDOU-GOSISDBHSA-N 370.413 1.084 0 50 FDAA O=C(O)CN1C[C@H]2COC[C@@H]1CN(c1ccc(-c3ccccc3)nn1)C2 1704308426 RBTFPYNKDWMCAZ-ZBFHGGJFSA-N 354.410 1.365 0 50 FDAA C[C@H](NC(=O)N1CC(S(N)(=O)=O)C1)c1cccc(C(F)(F)F)c1 827897793 ILVGALSUTMNGTL-QMMMGPOBSA-N 351.350 1.449 0 50 FDAA Cc1noc(C)c1S(=O)(=O)NC[C@@H]1CCCO[C@H]1c1nccn1C 858008775 YZVCXBPFXGBATB-QWHCGFSZSA-N 354.432 1.471 0 50 FDAA CCn1nc(C(=O)N[C@]2(C)CCN([C@@H]3CCN(C)C3=O)C2)cc1C1CC1 2325794686 NDHZWFWXGPZLTB-DNVCBOLYSA-N 359.474 1.205 0 50 FDAA O=C(NCCC[C@H]1C=CCC1)N[C@@H]1CCN(c2ccc3nncn3n2)C1 873079148 CVZLSAYOSOZSPI-LSDHHAIUSA-N 355.446 1.749 0 50 FDAA CS(=O)(=O)c1ccc(Cl)cc1Cn1cc(Cl)cc(C(N)=O)c1=N 115695574 CVBJUEIAUOTXLV-UHFFFAOYSA-N 374.249 1.825 0 50 FDAA O=C1Nc2ccccc2CC[C@@H]1N1CCC[C@@H](C(=O)N2CCOCC2)C1 248814498 DFQCOFFXHUAZRC-AEFFLSMTSA-N 357.454 1.511 0 50 FDAA COc1cc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)nc(OC)n1 826341 WIYOSEJTAADVPJ-UHFFFAOYSA-N 352.372 1.253 0 50 FDAA in-vitro Cc1c(NC(=O)C[C@@H]2SC(=O)NC2=O)c(=O)n(-c2ccccc2)n1C 1470469 PEAANPUKAXQKIV-NSHDSACASA-N 360.395 1.165 0 50 FDAA O=C(c1cncnc1O)N1CCC[C@@]12CCCN(Cc1ccccc1)C2=O 2356166778 MZYXBQLCPHIXEL-HXUWFJFHSA-N 366.421 1.980 0 50 FDAA Cc1nn(C)c(-n2cccn2)c1C(=O)NC[C@@H]1NCCc2ccccc21 423670234 MBYWBTAXHZTVPA-INIZCTEOSA-N 350.426 1.531 0 50 FDAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 248077475 HTYFXNDBXJDGFA-HZSPNIEDSA-N 370.471 1.855 0 50 FDAA CCS(=O)(=O)N1CCC[C@H](C(=O)NCCN(C)c2ccc(C)cc2)C1 67601970 JLVJMJCUEGSXIO-INIZCTEOSA-N 367.515 1.609 0 50 FDAA CS(=O)(=O)[C@@H]1CCCCN(S(=O)(=O)C[C@H]2CCCC2(F)F)C1 333260151 AWRPRPPGWWGSMC-VXGBXAGGSA-N 359.460 1.651 0 50 FDAA CCn1c(C2CCN(C(=O)c3c(C)[nH]c4c3C(=O)CCC4)CC2)n[nH]c1=O 67433523 LRHLYQKGIMXSKE-UHFFFAOYSA-N 371.441 1.767 0 50 FDAA CCc1cc(NCc2nc(-c3cccnc3)no2)nc(N2CCOCC2)n1 65497996 LAQSRYIGYSWAKJ-UHFFFAOYSA-N 367.413 1.933 0 50 FDAA C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@H]2[C@@]2(C)C=CC(=O)C=C12 21984880 VHRSUDSXCMQTMA-XVHPJBRGSA-N 374.477 1.804 0 50 FDAA CC(C)c1nnc([C@H]2COCCN2C(=O)CN(C)[C@H]2CCSC2)o1 328612754 PSCGCBARNQWVCS-QWHCGFSZSA-N 354.476 1.530 0 50 FDAA Cc1nc2sccn2c1C(=O)N1CCn2nc(C(=O)NC3CC3)cc2C1 65529665 JCSVSBPLCDLQPY-UHFFFAOYSA-N 370.438 1.449 0 50 FDAA CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)CCc2ccoc2)cn1 328638874 WRJOEUBBOKXPNW-HNNXBMFYSA-N 351.428 1.427 0 50 FDAA NC(=O)NCCC(=O)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 67679117 SIWLLCDYIDMBRV-UHFFFAOYSA-N 355.442 1.765 0 50 FDAA C[C@H](CN(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)CS(C)(=O)=O 328626615 FGJXNRAIMJZJOP-HLLBOEOZSA-N 356.536 1.416 0 50 FDAA Cc1sc2nc(CNC(=O)c3cn(C[C@H]4CCCO4)nn3)cn2c1C 11663233 HQKKFERJLYXVGC-CYBMUJFWSA-N 360.443 1.713 0 50 FDAA CS(=O)(=O)N1CCCc2cc(C(=O)N3C[C@H]4[C@H]5C=C[C@@H](O5)[C@H]4C3)ccc21 333828114 KZPBRHJKOXSBFS-CYGHRXIMSA-N 374.462 1.424 0 50 FDAA OCC1(O)CCN(c2nnnn2-c2ccc(Oc3ccccc3)cc2)CC1 67688409 MSBWIZZXJDVPIJ-UHFFFAOYSA-N 367.409 1.778 0 50 FDAA CCOC(=O)N1CCN(S(=O)(=O)c2cc(C)c(OC)cc2C)CC1 1073019 AIZDUZWXKVAXOB-UHFFFAOYSA-N 356.444 1.775 0 50 FDAA COc1ccc(C(=O)N2CCC3(CC2)CN(CCC(=O)O)C(=O)O3)o1 77386792 RAHQORBSJQDEAL-UHFFFAOYSA-N 352.343 1.190 0 50 FDAA CNC(=O)CNC(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1 72157470 SCSQMRZPLZSKFE-UHFFFAOYSA-N 365.477 1.561 0 50 FDAA O=C(CCCn1ccnc1)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1 219453868 OGVXDRUJEJTWMT-QZTJIDSGSA-N 359.426 1.508 0 50 FDAA Cc1c([C@H]2CCCN2C(=O)c2cc(N3CCOCC3)ccn2)cnn1C 364142562 SXVJLSOLBYDTRP-GOSISDBHSA-N 355.442 1.937 0 50 FDAA Cn1nccc1[C@H]1[C@H](NCc2cn(C(C)(C)C)nn2)CC(=O)N1C1CC1 284492788 JTMFBARRZMJTLS-RHSMWYFYSA-N 357.462 1.361 0 50 FDAA Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3cccnc3)[C@H](O)C2)c(O)c1 77520063 XISVQLUNPQOKKJ-NVXWUHKLSA-N 355.394 1.101 0 50 FDAA COc1ccccc1OCc1cc(C(=O)N2CCC(=O)NC[C@@H]2C)n[nH]1 71760278 BZBWLQAPXWOXQL-LBPRGKRZSA-N 358.398 1.348 0 50 FDAA O=C(NC1CCC1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 368519627 SVODPDGZZZLROC-UHFFFAOYSA-N 355.435 1.784 0 50 FDAA C[C@@H]1CN(C(=O)c2ccc(CN3CCS(=O)(=O)CC3)cc2)CCCO1 219910184 AVHMOFQLTQMZOM-OAHLLOKOSA-N 366.483 1.168 0 50 FDAA Cc1ccc2cc(CN3CCOCC3)c(N3CCN(CCO)CC3)nc2c1 216183437 VCPYDZHQSHQHSX-UHFFFAOYSA-N 370.497 1.490 0 50 FDAA O=C(NCc1ccccn1)[C@@H]1CN(Cc2cc3ccccc3o2)CCN1 72151896 QRFCSSNMHBFSAV-SFHVURJKSA-N 350.422 1.918 0 50 FDAA O=C(O)C[C@@H]1CSCCN1C(=O)CC[C@H]1Cc2ccccc2NC1=O 262553555 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NCLXLJIEOXWEDN-UHFFFAOYSA-N 351.410 1.939 0 50 FDAA N=c1nc2[nH][nH]cc-2c(=N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)[nH]1 2356166183 WPJBBIJCIOAGFF-MLGOLLRUSA-N 361.409 1.357 0 50 FDAA CCn1c(C)[n+](C[C@H](O)CS(=O)(=O)O)c2cc(Cl)c(Cl)cc21 3186882 HGFJFEDAAWUNIG-VIFPVBQESA-O 368.262 1.813 0 50 FDAA CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)CC2)cc1 7962344 BKMBMIATSKUCCZ-MRXNPFEDSA-N 358.442 1.329 0 50 FDAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc(C(N)=O)cc1 247825938 JINQPMIZONTAKT-CFVMTHIKSA-N 366.439 1.280 0 50 FDAA Cc1ccc(CN2CCN(c3nc(C(N)=O)cs3)C[C@H]2CCO)o1 106982581 SABODABDLZNCGN-GFCCVEGCSA-N 350.444 1.217 0 50 FDAA CN(C[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)CCC(=O)NC1CCCC1 55271773 XRXDYLGGQUVCLL-CQSZACIVSA-N 351.491 1.931 0 50 FDAA CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(OC)ccc2OC)C1 10302361 ADZTWOQVHLWFDC-GFCCVEGCSA-N 356.444 1.704 0 50 FDAA O=C1C[C@@H](C(=O)N2CCC(Cn3cc(Cc4ccccc4)nn3)CC2)CN1 20778791 GMHQQDPKBFIYSS-QGZVFWFLSA-N 367.453 1.244 0 50 FDAA CC(C)c1nccn1Cc1cc(C(=O)NCc2nnc3n2CCC3)[nH]n1 67696498 KFBXQZYZKQABLE-UHFFFAOYSA-N 354.418 1.246 0 50 FDAA O=C1C[C@@H](C(=O)N2CCC(Cn3cc(CO)nn3)CC2)c2ccccc21 23582027 ABIXIUBRUDMBGU-QGZVFWFLSA-N 354.410 1.379 0 50 FDAA CCS(=O)(=O)CCNC(=O)[C@H]1CCCCN1C(=O)c1ccccc1 68058732 MWGRQLISFHFDCP-OAHLLOKOSA-N 352.456 1.232 0 50 FDAA COC(=O)CSc1cc(=O)n(-c2ccc(Cl)cc2)nc1C(=O)OC 12338520 GMLBSVIUPHZJLO-UHFFFAOYSA-N 368.798 1.938 0 50 FDAA Cc1cn2nc(N3CCC[C@@H]3c3nc(C(=O)NC4CC4)no3)sc2n1 328617616 CXLPKDVSPMOVPO-SNVBAGLBSA-N 359.415 1.716 0 50 FDAA O=C(NC1CC1)c1noc([C@@H]2CCCN2C[C@@H](O)c2ccc(F)cc2)n1 328636174 NXDUILCJXHVVLB-LSDHHAIUSA-N 360.389 1.971 0 50 FDAA O=C1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 330298299 HGOSAPRPJVYPCM-CPUCHLNUSA-N 374.412 1.775 0 50 FDAA C[C@H](NC(=O)[C@H]1CCCCN1C(=O)c1ccccc1)[C@H](C)N1CCOCC1 363486756 VCRHIBZFJNRQKR-JENIJYKNSA-N 373.497 1.907 0 50 FDAA CNc1ccnc(N2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)n1 72476675 AQCHDIKLOIMLSL-KRWDZBQOSA-N 362.522 1.264 0 50 FDAA COc1cc(OC)cc(S(=O)(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)c1 486711166 LEEGWLYLVRTQDS-UHFFFAOYSA-N 370.471 1.724 0 50 FDAA COc1cccc2c1CC[C@@H](N[C@@H]1CCC(=O)N[C@H]1c1cncn1C)C2 284645389 OZVMRBAXLDUUDB-AKCHCHLHSA-N 354.454 1.896 0 50 FDAA O=C(c1ccnc2ccncc12)N1CC[C@@H](Nc2ccc3nccn3n2)C1 369645778 DULGYFTWUXTPLT-CYBMUJFWSA-N 359.393 1.999 0 50 FDAA NC(=O)c1ccc(OCCC(=O)N2C[C@@H](N)[C@H](c3ccccc3)C2)cc1 261856368 VWHZRLQKEWRQCZ-ZWKOTPCHSA-N 353.422 1.508 0 50 FDAA Cc1nnc2n1CCN(c1nc(C3CCCC3)nc3c1cnn3C)CC2 72127497 VCSGYDSNLSANGQ-UHFFFAOYSA-N 352.446 1.984 0 50 FDAA Cn1c(CN2CCOCC2)nnc1C1CCN(C(=O)CC(C)(C)C)CC1 77298836 FZALZJQHCPEJQY-UHFFFAOYSA-N 363.506 1.790 0 50 FDAA C[C@H](Nc1nc(CCc2ccccc2)nc2c1cnn2C)c1n[nH]c(=O)[nH]1 72158909 SFGZVQMKTVOUKW-NSHDSACASA-N 364.413 1.733 0 50 FDAA Cc1ccc([C@@H]2CN(C(=O)Cn3cncn3)C[C@H]2NC(=O)C2CC2)cc1 77538083 GCOSGYOZOFSNHZ-DLBZAZTESA-N 353.426 1.107 0 50 FDAA CCN(C(=O)c1ccc(C)c(N2CCNC2=O)c1)[C@@H]1CCS(=O)(=O)C1 77471312 ACUSKMKDKMNWRB-CQSZACIVSA-N 365.455 1.174 0 50 FDAA CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C 246532898 SCSUSMZEZLULMV-NCOADZHNSA-N 350.507 1.950 0 50 FDAA O=C(O)CO[C@H]1CCOC[C@H]1NC(=O)CCc1nc2ccccc2s1 219951044 LDSYPBALTSMPOW-OLZOCXBDSA-N 364.423 1.604 0 50 FDAA COc1ccccc1Nc1nc(N)nc(CN2CCC[C@@H](C)[C@@H]2C(=O)O)n1 263100466 WUEMTLUCYVYWRS-IAQYHMDHSA-N 372.429 1.891 0 50 FDAA CN(C)C(=O)c1n[nH]c2c1CN(Cc1cc(F)ccc1-n1cccn1)CC2 216511223 IVVOXCGKLPAQKT-UHFFFAOYSA-N 368.416 1.995 0 50 FDAA O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1cccc(O)c1)CCN2Cc1ccncc1 72426078 LYKRXVXJVIVTBV-MOPGFXCFSA-N 373.478 1.271 0 50 FDAA CN(Cc1csc(-c2cccs2)n1)C(=O)CCCS(N)(=O)=O 72473547 VKNMEBBZOZLHEC-UHFFFAOYSA-N 359.498 1.899 0 50 FDAA Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N[C@H]3CCN[C@@H](C)C3)cc12 262887639 OEUUXWOLLJWFHC-WCQGTBRESA-N 363.487 1.318 0 50 FDAA CCC[C@@H]1CN(Cc2cc(-c3ccccn3)no2)C[C@H]1NS(C)(=O)=O 82139175 IDQGFPZSGMWPPN-CXAGYDPISA-N 364.471 1.886 0 50 FDAA Cn1cc([C@H](NC(=O)CN2CCc3ccccc3C2)C2CC(O)C2)cn1 223075563 OSGHOSAYSHIOJA-OUNSHVDWSA-N 354.454 1.407 0 50 FDAA CN(Cc1ccc2nonc2c1)C(=O)CC[C@@]1(CCC(=O)O)CCC(=O)N1 223687835 MWGBOSROEPABJF-GOSISDBHSA-N 374.397 1.475 0 50 FDAA CN1C[C@H](NC(=O)c2cnc(SCc3ccccc3)nc2O)CCC1=O 220602871 KZFYJIFOTGNMOT-CYBMUJFWSA-N 372.450 1.825 0 50 FDAA Cc1nc([C@H](C)NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)n[nH]1 426677811 UIMHFNUNWAMANB-LURJTMIESA-N 363.727 1.824 0 50 FDAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2oc(C)nc2C)CN1Cc1ccccc1 91350799 XOVRTIHXLWTKJA-SJORKVTESA-N 370.453 1.800 0 50 FDAA Nc1nc(NCCO)cc(N2CCN(c3nc4ccccc4s3)CC2)n1 95506893 SOROLKVQNHSGIW-UHFFFAOYSA-N 371.470 1.399 0 50 FDAA O=C1CN(c2ccc(C(=O)NC[C@H]3COc4ccccc4C3)cc2)C(=O)N1 91965588 MRFDFENJRUHTKC-ZDUSSCGKSA-N 365.389 1.724 0 50 FDAA NCCCNC(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O 91645228 WUBDECYPLZBJJP-UHFFFAOYSA-N 355.225 1.746 0 50 FDAA CCN(CC)C(=O)c1ccc(Cl)c(NC(=O)NC[C@@H]2CNCCO2)c1 97137278 MAZANFMFTJNMRQ-ZDUSSCGKSA-N 368.865 1.932 0 50 FDAA CC(=O)N1CC[C@@H](NC(=O)c2oc(COc3ccccc3)cc2C)[C@H](O)C1 426496917 LYYVMSHJSBHBLM-QZTJIDSGSA-N 372.421 1.879 0 50 FDAA COc1cc2c(cc1OC)CN(C(=O)[C@H]1CCCCn3nnnc31)CC2 97655494 ZNGTZEVUQCVUQI-AWEZNQCLSA-N 357.414 1.543 0 50 FDAA COC(=O)N1CCN(C(=O)Nc2cc(NS(C)(=O)=O)ccc2C)CC1 95507324 VIROVYUEIAAJBD-UHFFFAOYSA-N 370.431 1.282 0 50 FDAA Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(C(=O)c2cncc(F)c2)C1 95368290 KVQLMARSWJFMPA-CYBMUJFWSA-N 369.404 1.614 0 50 FDAA O=C(NC[C@H](O)C12CC3CC(CC(C3)C1)C2)c1ccc(-n2cnnc2)nc1 97601118 LDKXZQFLFDQFEX-SOZFHFLDSA-N 367.453 1.969 0 50 FDAA Cc1nc(C)c(CC(=O)N2CCN(Cc3ccoc3)[C@@H](CCO)C2)s1 97785664 ZIRDPBIJAULBQV-INIZCTEOSA-N 363.483 1.991 0 50 FDAA CC(C)NS(=O)(=O)c1ccc(C(=O)NCC[C@H]2CCCOC2)cc1 91452650 PJXUEEFKFPVSKL-CQSZACIVSA-N 354.472 1.920 0 50 FDAA Cc1ncc(C(=O)N2CCC3(CC2)[C@@H](O)C[C@H]3O)c(-c2ccccc2)n1 91636762 XLBPZRJKHZGAOY-CALCHBBNSA-N 353.422 1.800 0 50 FDAA O=C(Cc1ccc(CO)cc1)N1C[C@H]2CC[C@@H]1CN(C1CCOCC1)C2 95382432 YLAGQYXSZODFMO-AZUAARDMSA-N 358.482 1.823 0 50 FDAA COc1ccccc1CCNC(=O)CN1CCC(N2CCOCC2)CC1 244866581 VYOCADYBOJOARS-UHFFFAOYSA-N 361.486 1.151 0 50 FDAA Cc1nc(C(=O)N2CCOC[C@H]2C(=O)O)nn1-c1ccccc1C(C)C 299749312 JXLDPGNZNBCLFP-HNNXBMFYSA-N 358.398 1.625 0 50 FDAA COc1cc(CCC2CCN(C(=O)[C@@H]3C[C@@H](O)CN3)CC2)cc(OC)c1 299748256 GPYAYLJJLDXERN-APWZRJJASA-N 362.470 1.598 0 50 FDAA COc1ccc(CN2C(=O)[C@@H](CC(=O)N3CCCC3)N=C2O)cc1OC 252537735 MEAKFEYYRFZRQB-CYBMUJFWSA-N 361.398 1.341 0 50 FDAA CC(C)(C)c1csc(NC(=O)CN2CCCN(S(C)(=O)=O)CC2)n1 252482707 DMHLUKPQXYLOQA-UHFFFAOYSA-N 374.532 1.346 0 50 FDAA O=C(Cc1cncnc1O)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 253535078 BRTOMCDZMHJFSP-QIIPPGSGSA-N 355.394 1.288 0 50 FDAA COc1nc(-c2cccc(C(=O)N3CCC[C@H](C(N)=O)C3)c2)ncc1F 534656115 KCBOOJKADKKCHZ-ZDUSSCGKSA-N 358.373 1.629 0 50 FDAA Nc1nc(-c2cccc(C(=O)N[C@H]3CCOC3)c2)cc(N2CCCC2)n1 534576745 MZPNDNJRXXCCCH-HNNXBMFYSA-N 353.426 1.845 0 50 FDAA O=C(CCCCc1nc2ccccc2s1)N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1940195414 BBRMACDQNUNWMQ-XHSVMWQWSA-N 362.451 1.652 0 50 FDAA CC(C)Cn1cncc1CNC(=O)C1CCN(C(=O)[C@@H]2CCCO2)CC1 299789282 ZHIVGMNLHOVWIT-KRWDZBQOSA-N 362.474 1.573 0 50 FDAA O=C(Nc1ccc2cn[nH]c2c1)N1CCC[C@H](C(=O)N2CCOCC2)C1 299801600 ZGVAHQNKWAVJKH-AWEZNQCLSA-N 357.414 1.666 0 50 FDAA CC(C)n1cc(NC(=O)N[C@H]2CN(C)S(=O)(=O)c3ccsc32)nn1 299765613 BYJBQQIQMBMHSQ-VIFPVBQESA-N 370.460 1.417 0 50 FDAA Cc1nc([C@H](C)NS(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)n[nH]1 670457636 SQZDELBVQCFYBJ-NSHDSACASA-N 360.443 1.955 0 50 FDAA O=C(Cc1cccc2cccnc12)N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O 1875403629 WXKZLZYAHSNTOP-BMGDILEWSA-N 350.422 1.930 0 50 FDAA COc1cccc(C[C@H](C)NC[C@H]2C[C@@H](OC)CN2c2ccncn2)n1 952887314 NHKOFFWUBJFTNB-USXIJHARSA-N 357.458 1.695 0 50 FDAA CCN=c1[nH]c(C(=O)NCc2cn(-c3cccc(OC)c3)nn2)cs1 1875263438 HQNJFOPDQOLRLE-UHFFFAOYSA-N 358.427 1.516 0 50 FDAA COC(=O)/C=C/CNC(=O)[C@@H]1CCCN(C(=O)c2c[nH]c3ccccc23)C1 1875311514 CNLONXXLFBVDBB-CEOUIICOSA-N 369.421 1.866 0 50 FDAA CCOc1ncccc1S(=O)(=O)NC(=O)c1c(C)nn(C)c1Cl 1875312428 BVWUVMUUPLCEQG-UHFFFAOYSA-N 358.807 1.294 0 50 FDAA Cc1nc(C(=O)N(C)Cc2ccncc2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875301069 CFLWWONQWPMMFW-QGZVFWFLSA-N 368.485 1.901 0 50 FDAA C[C@@H](O)Cc1cn(C2(C(=O)N3CCO[C@H](c4ccccc4)C3)CC2)nn1 1875317894 MBZOZJILIMBESN-PBHICJAKSA-N 356.426 1.291 0 50 FDAA Nc1nnc(SCC(=O)N[C@@H](Cn2ccnc2)c2ccccc2)s1 952978994 UDNSDOBIQQGFGN-LBPRGKRZSA-N 360.468 1.967 0 50 FDAA Cc1noc(C[C@@]2(O)CCCN(CC(=O)N3CCc4ccccc43)C2)n1 888076804 FYXYFVQRURDIQR-IBGZPJMESA-N 356.426 1.337 0 50 FDAA CCc1nc(SCC(=O)N2C[C@@H]3CC[C@H]2CN(c2cnccn2)C3)n[nH]1 1565528120 XTCJCPMZMXTXBQ-OLZOCXBDSA-N 373.486 1.377 0 50 FDAA COc1ccc(C)cc1CCNS(=O)(=O)c1cnc2c(cnn2C)c1 170600479 VUMNJLDNAWDRCQ-UHFFFAOYSA-N 360.439 1.806 0 50 FDAA CNC(=O)[C@@H]1CC[C@](C)(C(=O)NCCc2nc(C(=O)O)cs2)C1(C)C 1076057160 QQPFSNOPFLCJSS-DYZYQPBXSA-N 367.471 1.689 0 50 FDAA O=C(c1ccc(OC(F)F)cc1)N1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076064954 IVLWRKWAXWKRAU-KGLIPLIRSA-N 350.325 1.866 0 50 FDAA CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cncnc1N 192237330 XEQPAMCDDKRXSV-HNNXBMFYSA-N 355.442 1.891 0 50 FDAA Cc1ccc(-c2noc([C@H](C(C)C)N3CCCS3(=O)=O)n2)c(=O)n1C 771269766 BCFYCSDWYMLCRJ-ZDUSSCGKSA-N 366.443 1.476 0 50 FDAA O=C1CCCN1CC(=O)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1529119747 KSTQDXOWBYVQME-CRAIPNDOSA-N 353.422 1.219 0 50 FDAA CCC[C@]1(CO)CN(CC(=O)Nc2cc(OC)cc(OC)c2)CC[C@@H]1O 1529134254 RDJYVDOLPDUDRV-PKOBYXMFSA-N 366.458 1.488 0 50 FDAA COc1ccccc1OC(C)(C)C(=O)N1C[C@H]2COC[C@@H](C1)C(=O)N2C 1704315570 KQEUYMZRTCLYEI-KGLIPLIRSA-N 362.426 1.168 0 50 FDAA CS(=O)(=O)CCN1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 1772712576 SWZBDLRNNNGJGQ-DLBZAZTESA-N 350.484 1.369 0 50 FDAA COc1ccc(S(=O)(=O)N2C[C@@H]3CCCN3C(=O)[C@H]2C)cc1OC 1772704657 ONZYUPDDCAZDBS-NEPJUHHUSA-N 354.428 1.088 0 50 FDAA CC(C)(C)CN1CCNC(=O)[C@H]1CC(=O)NCCCOc1cccnc1 12449461 IMOKJOLPNJYPJY-MRXNPFEDSA-N 362.474 1.203 0 50 FDAA O=C(CSc1ncccn1)NCc1cccnc1N1CCC[C@H](O)C1 12594339 CSYOFLPQXHOZSI-AWEZNQCLSA-N 359.455 1.241 0 50 FDAA O=C(c1ccc(OC2CCN(C[C@H](O)CO)CC2)cc1)N1CCCCC1 15064292 AZRUNIOQECIGGO-KRWDZBQOSA-N 362.470 1.509 0 50 FDAA Nc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2)n1 18043726 YQBNKKFLOCHWEX-UHFFFAOYSA-N 355.217 1.845 0 50 FDAA COc1cc(/C=C/C(=O)NCCN2CCOCC2)cc(OC)c1OC 19720168 ARRWHNJKXYJPGF-SNAWJCMRSA-N 350.415 1.174 0 50 FDAA CCOCCNC(=O)[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857725402 VASQAMUTMFRHEO-AWEZNQCLSA-N 374.466 1.635 0 50 FDAA Cn1nccc1S(=O)(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 330909628 GHPCMWWACZPQOM-UHFFFAOYSA-N 368.846 1.220 0 50 FDAA COc1ccc(F)c(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)c1OC 252509004 YAPJEQNTHJZFEV-GFCCVEGCSA-N 362.405 1.975 0 50 FDAA Cn1c(=O)oc2c(C(=O)N3CCN(Cc4cccnc4)CC3)cccc21 156917711 NODBDKMVBDHPPE-UHFFFAOYSA-N 352.394 1.485 0 50 FDAA CCS(=O)(=O)N(C)C1CCN(C(=O)c2cnc(C)nc2C(C)C)CC1 265222934 GOUXBXUCQZVVGE-UHFFFAOYSA-N 368.503 1.795 0 50 FDAA O=C(NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1csnn1 265380447 CKRUNOWTGXFAHH-UHFFFAOYSA-N 366.468 1.262 0 50 FDAA COc1cccc([C@H](O)C(=O)N2CCC(N(C)c3cccnn3)CC2)c1 163517963 BRMBLIBYVATZFI-SFHVURJKSA-N 356.426 1.646 0 50 FDAA CCc1cc(CC(=O)N[C@](C)(Cc2ccc(F)cc2)C(=O)OC)n(C)n1 829380252 UGDHXRBVKORHIU-LJQANCHMSA-N 361.417 1.955 0 50 FDAA COC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@H]1c1ccc(C)cc1C 20500796 JCUJGEOXZKJAPU-KRWDZBQOSA-N 359.426 1.417 0 50 FDAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c1 4904919 MDSYQNATYFLSAC-NWDGAFQWSA-N 361.350 1.865 0 50 FDAA CC(C)c1nccc(C2CCN(C(=O)CCn3cc[nH]c(=O)c3=O)CC2)n1 2325715497 WLSKAHYIOIGVOD-UHFFFAOYSA-N 371.441 1.246 0 50 FDAA Cc1ccn2nc(C(=O)N3C[C@@H](N(C)C)CCc4ccccc43)nc2n1 2325758100 UEWAEKDTXPPEPG-HNNXBMFYSA-N 350.426 1.956 0 50 FDAA O=C1CCN(C(=O)N2CCc3c(c(C(=O)O)nn3-c3ccccc3)C2)CC1 2325780929 YOFWDMXUISWKFL-UHFFFAOYSA-N 368.393 1.714 0 50 FDAA Clc1cccc(Cn2ncc3c(NC[C@@H]4COCCN4)ncnc32)c1 2325800230 YSYUIJSIHDNQHZ-CQSZACIVSA-N 358.833 1.928 0 50 FDAA O=C1Nc2cc(Cl)ccc2C([C@H]2CCOC2)=N[C@@H]1C1CS(=O)(=O)C1 2325809152 KVPJPBNVFDGVOM-BJOHPYRUSA-N 368.842 1.531 0 50 FDAA CN(C(=O)c1ccc(-c2cnn(Cc3ccccc3)c2)nn1)[C@@H]1CCNC1 2325809890 XQJGXQRWFOPRBC-QGZVFWFLSA-N 362.437 1.822 0 50 FDAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC[C@@H](c3cn(C)nn3)C2)cc1 2325889739 OYLGFBYUWSETRL-OAHLLOKOSA-N 353.426 1.984 0 50 FDAA COc1ccc(C(F)(F)C(=O)N[C@H](CO)[C@@H](O)c2cccnc2)cc1 913564650 DLFRBGMEFKPNOV-CABCVRRESA-N 352.337 1.393 0 50 FDAA COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)ccc1OC 4113739 UUTKEUUJNVERID-OAHLLOKOSA-N 350.371 1.521 0 50 FDAA CCn1c(=O)c2c(nc3n(-c4cccc(OC)c4)c(C)cn23)n(C)c1=O 4250616 YTKBWIDATWQEGX-UHFFFAOYSA-N 353.382 1.476 0 50 FDAA Cc1ccc(S(=O)(=O)[C@@H](CNS(C)(=O)=O)c2cccnc2)cc1 7997133 YOAJVVKRQJHVIX-HNNXBMFYSA-N 354.453 1.454 0 50 FDAA CCOc1cc(-c2nnn(C)n2)cc(I)c1OC 10338040 MQPGBPYXOZOABS-UHFFFAOYSA-N 360.155 1.889 0 50 FDAA C[C@@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)N(C)C)CC1 10449940 HVXDRNYHSGROSX-CYBMUJFWSA-N 351.472 1.483 0 50 FDAA O=C(NC1CCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 8082233 KWHLMDYNKAJOSM-UHFFFAOYSA-N 356.419 1.519 0 50 FDAA CCc1n[nH]c(SCC(=O)N[C@@H](C)c2nc(-c3ccccn3)no2)n1 55393552 LGUZZMSJJAPMOC-VIFPVBQESA-N 359.415 1.782 0 50 FDAA Cc1cc2nc(C(=O)N3CCC[C@H](c4cc(=O)[nH]c(C)n4)C3)cc(C)n2n1 23145294 MMRIHKJIDVOUSJ-AWEZNQCLSA-N 366.425 1.758 0 50 FDAA Cc1nn(CCN2CCN(C)CC2)cc1CN1CCN(C2CCCC2)CC1 65461772 ITKNCXICTDZQBH-UHFFFAOYSA-N 374.577 1.499 0 50 FDAA CN1CCCNC(=O)C12CCN(C(=O)c1cccc3cccnc13)CC2 67433408 PHPRJFPMNNQSHE-UHFFFAOYSA-N 352.438 1.661 0 50 FDAA CNS(=O)(=O)c1ccc(CCC(=O)N(C)C2CCSCC2)cc1 222359018 YGDBPROIXHEFMF-UHFFFAOYSA-N 356.513 1.881 0 50 FDAA CCCn1nc(C(=O)O)c2c1CC[C@@H](NCc1nnc3n1CCCC3)C2 67895532 SWKRYXKEULHWMM-GFCCVEGCSA-N 358.446 1.566 0 50 FDAA CCNC(=O)[C@@H]1CCN(c2nc(-c3ccccc3)nc3c2CCNC3)C1 67894470 MJMPFHPDKGOCGJ-OAHLLOKOSA-N 351.454 1.752 0 50 FDAA CC(C)[C@H](NC(=O)c1cccc2c1OCC2)c1nnc2n1CCNCC2 67690735 MHXPWUUATNZRQH-INIZCTEOSA-N 355.442 1.486 0 50 FDAA CS(=O)(=O)N(C1CCC1)[C@@H]1CCCN(C(=O)N=c2cc[nH]cc2)CC1 328630150 JBWYDRYJUHOEOU-MRXNPFEDSA-N 366.487 1.704 0 50 FDAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCC(F)(F)F 72127259 RLWLAHLPRYLEPV-CYBMUJFWSA-N 373.375 1.454 0 50 FDAA Cc1cc(=O)nc(S[C@@H](C)C(=O)NCc2nc(C)c3c(n2)CCCC3)[nH]1 215492334 FIEQQCDUGONDMB-LBPRGKRZSA-N 373.482 1.853 0 50 FDAA CCC(CC)N1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2cnccn2)[C@@H]3C1=O 77406225 GHMZIACKTAYPRV-LJCCNALRSA-N 370.453 1.406 0 50 FDAA Cc1nn(-c2ccc3nncn3n2)c2c1[C@@H](c1ccc(O)cc1)CC(=O)N2 35476263 ZAUAMIUCJSPVIR-CYBMUJFWSA-N 361.365 1.798 0 50 FDAA CC(=O)N1CCc2c(nc(-c3ccncc3)nc2NC[C@H]2CCOC2)C1 71779962 NSUCLKVEWHLJSZ-CQSZACIVSA-N 353.426 1.892 0 50 FDAA CO[C@@H]1Cc2ccccc2N(C(=O)CCn2nc3ccccn3c2=O)C1 370306672 CNJBZYYOUQQYHX-OAHLLOKOSA-N 352.394 1.490 0 50 FDAA Cc1ccc(OCCS(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)cc1 71523910 KARXHEGPTXVUHS-ZDUSSCGKSA-N 353.362 1.967 0 50 FDAA CC(=O)c1cc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2c2nnc(C)o2)n(C)c1 331455166 YEENXJRRUBJINE-KBPBESRZSA-N 363.393 1.608 0 50 FDAA O=C1[C@@H]2CN(c3cnc4ccccc4n3)C[C@]2(C(=O)O)CN1CC1CC1 72406997 UVLLQMGURRTQCI-DJJJIMSYSA-N 352.394 1.389 0 50 FDAA Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)Cn2cc3ccccc3n2)C1 77455537 CSELBFDDPVRRTD-OAHLLOKOSA-N 351.410 1.891 0 50 FDAA O=S(=O)(NCc1ccccc1)N1CCCN(Cc2ccncc2)CC1 71771125 CCFNRKRVDLITMP-UHFFFAOYSA-N 360.483 1.624 0 50 FDAA O=C(c1cnccn1)N1CCN(CCCc2ccccc2)[C@H](CCO)C1 72475545 RIAFSOILAQEMMV-GOSISDBHSA-N 354.454 1.618 0 50 FDAA O=C1OC2(CCN(C(=O)[C@@H]3NCCc4[nH]cnc43)CC2)c2ccccc21 72431595 GNBDTXBFABZJOQ-MRXNPFEDSA-N 352.394 1.285 0 50 FDAA Cc1cccc2c1O[C@@H](C(=O)N1CCN(c3ccnc(N(C)C)n3)CC1)C2 449916372 BCFMLIUWVPFAKL-MRXNPFEDSA-N 367.453 1.503 0 50 FDAA O=C(NCC1CCN(Cc2ccccc2Cl)CC1)[C@H]1C[C@H](O)CN1 238096472 SBVCEHBYPDXHIO-DOTOQJQBSA-N 351.878 1.391 0 50 FDAA Cc1nccn1-c1cc(NCCNC(=O)Cc2ccc(F)cc2)ncn1 72434125 QYZZWEKHKBENDQ-UHFFFAOYSA-N 354.389 1.881 0 50 FDAA CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)C[C@@H]1CCS(=O)(=O)C1 77319135 LXXOOXPGINSQDT-ZDUSSCGKSA-N 365.430 1.795 0 50 FDAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NC2CCC2)c1OC 72167710 RXELHDBXKNYUGN-OAHLLOKOSA-N 361.442 1.063 0 50 FDAA CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)CCNC(=O)[C@H]2C[C@H]2C)C1 241401157 NBPBYDPUWPQDCN-QPSCCSFWSA-N 353.463 1.522 0 50 FDAA CN(CCc1ccc(Br)cc1)C(=O)[C@@H]1CCCN1C(N)=O 176248442 CHWHFBSYXTVZBT-ZDUSSCGKSA-N 354.248 1.993 0 50 FDAA Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N1CCO[C@H]2CCCC[C@H]21 246291931 DMOXBNJTFDGXTK-KURKYZTESA-N 355.442 1.935 0 50 FDAA Cc1nc(C2CCN(C(=O)CCc3c(C)nn(C)c3C)CC2)cc(=O)[nH]1 82099514 WJTFRFFQYRKHIL-UHFFFAOYSA-N 357.458 1.767 0 50 FDAA CN(CCc1ccncc1)C(=O)c1cccc(N2CCS(=O)(=O)CC2)c1 221179408 CYLFGBQOALEYTP-UHFFFAOYSA-N 373.478 1.631 0 50 FDAA COc1cccc(C(=O)N2CCN(C(=O)[C@H](C)CN3CCCC3)CC2)c1 82138491 XJUHWVQONLQSHP-MRXNPFEDSA-N 359.470 1.712 0 50 FDAA CC(=O)c1ccc(NCc2cc3n(n2)CCCN(C(=O)N(C)C)C3)nc1 82134894 QBHCWZIGINETKF-UHFFFAOYSA-N 356.430 1.980 0 50 FDAA O=C1NCCN(C(=O)c2ccc(-c3ccc4c(c3)OCO4)cc2)[C@@H]1CCO 426474076 BSXPYPFXPCQKRB-MRXNPFEDSA-N 368.389 1.405 0 50 FDAA Cn1ncc(N2CCN(Cc3cccn3Cc3cccnc3)CC2)cc1=O 19640833 CGGGPKFKLZVUIX-UHFFFAOYSA-N 364.453 1.347 0 50 FDAA Cc1ncnc(N2CCN(C(=O)NCc3cnn(C(C)C)c3)CC2)c1C 426478822 OEAWXGPVJCPJKD-UHFFFAOYSA-N 357.462 1.903 0 50 FDAA CC[C@@H](O)c1cc2n(n1)CCN(C(=O)Cn1c(=O)oc3ccccc31)C2 220200888 AYVNBGIRCUTNJN-OAHLLOKOSA-N 356.382 1.277 0 50 FDAA NC(=O)[C@H]1CCCN1C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 179029513 MBXPYCFLCWBPPC-ZYHUDNBSSA-N 370.236 1.823 0 50 FDAA Cc1nn(CCC(=O)N2CCCO[C@H](CN3CCOCC3)C2)c(C)c1C 221317823 MSUNCTFTUWLAGA-GOSISDBHSA-N 364.490 1.148 0 50 FDAA CSCC[C@@H](NC(=O)N(C)Cc1nc2ccccc2n1C)C(=O)O 426477444 UKCPANOGCBUKDX-GFCCVEGCSA-N 350.444 1.921 0 50 FDAA O=C(C1CCC1)N1CCC(c2nnc(Cn3cncn3)n2C2CC2)CC1 91562721 URWMFHAJNQDHIY-UHFFFAOYSA-N 355.446 1.759 0 50 FDAA CCc1nnc(N2C[C@H]3CN(C(=O)C4CCCC4)C[C@@]3(C(=O)O)C2)s1 96132165 RZVMRPXZJBJWRO-SJKOYZFVSA-N 364.471 1.640 0 50 FDAA CS(=O)(=O)N1CCC(NC(=O)CCc2nc3ccc(F)cc3[nH]2)CC1 97155653 OOEDRXXZAUTXSA-UHFFFAOYSA-N 368.434 1.175 0 50 FDAA Cc1ccc(-c2cc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)[nH]n2)cc1 97797415 JEHZJEVTLVRSDV-KRWDZBQOSA-N 364.405 1.917 0 50 FDAA O=C(c1cn(C2CCNCC2)nn1)N1CCC[C@H](N2CCCCCC2)C1 237904829 XXUYBHXHZAWLCW-KRWDZBQOSA-N 360.506 1.683 0 50 FDAA CC(C)c1ccc(N2C[C@H](C(=O)NCCN3CCNC3=O)CC2=O)cc1 91380689 ALURDJHOTHGHAG-OAHLLOKOSA-N 358.442 1.304 0 50 FDAA NC(=O)Cn1ccnc1C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 95500373 LQLOZAMSHUQOQW-UHFFFAOYSA-N 356.382 1.117 0 50 FDAA O=C(NCc1cccnc1)c1ccc(S(=O)(=O)N[C@@H]2CCOC2)cc1 91391027 WESKMKHQXKBCBK-OAHLLOKOSA-N 361.423 1.079 0 50 FDAA CO[C@H]1CCCOC12CCN(c1nc(C)ncc1S(C)(=O)=O)CC2 95383443 DGMLJINADYHCMU-AWEZNQCLSA-N 355.460 1.353 0 50 FDAA CC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CC(C(C)C)=NO1)CC2 91663215 CGFYQESSFHGARU-INIZCTEOSA-N 373.457 1.433 0 50 FDAA C[C@](O)(CNC(=O)CNC(=O)Cc1cccc(F)c1)C1CCCCC1 239762582 CMFPXNRWFJRKCT-IBGZPJMESA-N 350.434 1.932 0 50 FDAA C[C@@H]1Oc2ccc(NC(=O)NCCCN3CCOCC3)cc2N(C)C1=O 95518821 TXXRHFYNFPWVEK-ZDUSSCGKSA-N 362.430 1.274 0 50 FDAA CN1CC2(CCC1=O)CCN(c1nccc(N3CCC[C@H](O)C3)n1)CC2 91713432 LPTZTZSPVBTXBE-HNNXBMFYSA-N 359.474 1.277 0 50 FDAA CC(=O)Nc1ccc(CN2CC[C@@]3(O)CCN(C(=O)N(C)C)C[C@H]3C2)cc1 95384548 XQHCVLDZYCAHST-YLJYHZDGSA-N 374.485 1.585 0 50 FDAA CCN(C)[C@@H](C)CCNC(=O)c1cccc(S(=O)(=O)N2CCC2)c1 97546451 HSOOIGQZUALHFP-AWEZNQCLSA-N 353.488 1.541 0 50 FDAA 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CN1CCN(c2ccc(C(=O)N3CCO[C@@H]4C[C@H](CO)C[C@@H]43)cc2)CC1 1857698668 CMEPRFSULFSFSK-AYOQOUSVSA-N 359.470 1.050 0 50 FDAA CCC[C@H]1CN(C(=O)c2ccc3nccnc3c2)C[C@@H]1NS(C)(=O)=O 222462307 YJWGFLMDAAYWTD-BBRMVZONSA-N 362.455 1.420 0 50 FDAA O=C(O)CC[C@@H]1CCCN(C(=O)c2c[nH]c(=O)c(Br)c2)C1 237953096 QTGLHEZNJKSCNM-VIFPVBQESA-N 357.204 1.854 0 50 FDAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cccc(-n3cnnc3)c1)C2 247990740 KKKPWHWFVARGGZ-WBVHZDCISA-N 353.426 1.740 0 50 FDAA Cn1nc(C(=O)N2C[C@H](C(=O)O)[C@@H](c3ccccn3)C2)c2c1CCCC2 248045078 MAEBCLSEUKLBSJ-KBPBESRZSA-N 354.410 1.634 0 50 FDAA O=C(c1nc[nH]c1C(F)(F)F)N1CCS(=O)(=O)c2ccccc2C1 832454563 RKDYLLFNNSJAQW-UHFFFAOYSA-N 359.329 1.858 0 50 FDAA O=C1CC[C@H](NS(=O)(=O)c2ccc(F)c(Br)c2F)CN1 2325775885 XLSQOBXGDZYOQK-LURJTMIESA-N 369.187 1.284 0 50 FDAA CO[C@]1(CN)C[C@H](C(=O)N[C@@H]2CC(=O)N(c3ccccc3Cl)C2)C1 2325778379 WBJLSUCUBOUEIA-QFSBIZTOSA-N 351.834 1.315 0 50 FDAA COc1cnc(Br)c(NC(=O)N2CCO[C@@H]([C@H](C)O)C2)c1 2325781828 RAPKKOQBKSTHHH-GZMMTYOYSA-N 360.208 1.466 0 50 FDAA Cc1cc(-n2cncn2)ccc1C(=O)N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O 2325785678 INSQKLZYNDKOBT-BMGDILEWSA-N 366.425 1.342 0 50 FDAA CO[C@@H]1C[C@H]2C[C@H]1C[C@H]2N(C)C(=O)C1=NN(c2ccc(C)cc2)C(=O)CN1 2325796993 PNBQZUFLDCKABJ-YALNPMBYSA-N 370.453 1.517 0 50 FDAA CC(C)[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccnc(-c2nn[nH]n2)c1 2325807992 QMPZFEVTJCWTCU-HOCLYGCPSA-N 355.446 1.597 0 50 FDAA Cc1ccc(N2CC(C)(NC(=O)c3cc4ccccc4c(=O)o3)C2)nn1 2325824935 WLHXWSJFCGNDMP-UHFFFAOYSA-N 350.378 1.900 0 50 FDAA C[S@](=N)(=O)c1cccc(CNS(=O)(=O)c2cnc3ccccn23)c1 2325850338 VGJDKWHZWMOVGH-QHCPKHFHSA-N 364.452 1.848 0 50 FDAA CCc1cc(N2CCO[C@@H](CN(C)C(=O)CCOC)C2)nc(CC)n1 2325866798 AFIBIEIWPKJECU-HNNXBMFYSA-N 350.463 1.302 0 50 FDAA C[C@H]1C[C@@H]1c1nc(CS(C)(=O)=O)nn1-c1ccc2c(=O)[nH]ccc2c1 2325875258 LLBJYKMYGSFFIZ-HZMBPMFUSA-N 358.423 1.777 0 50 FDAA CCOC(=O)c1cnn(-c2ncnc3c2cnn3Cc2ccccc2)c1N 643768 LYOUWPMWPFKCLC-UHFFFAOYSA-N 363.381 1.819 0 50 FDAA CCOC(=O)c1sc2ncn(CC(=O)N3CCCCC3)c(=O)c2c1C 791141 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356.430 1.150 0 50 FDAA O=S(=O)(NC1CC1)[C@H]1CCN(Cc2nnc(C3CC3)n2C2CC2)C1 367783337 LIXIFXPBLMAERQ-AWEZNQCLSA-N 351.476 1.147 0 50 FDAA CN(C)Cc1cccc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCCO)C2)c1 72473077 GWTHNIXWGUYNIF-VQTJNVASSA-N 359.514 1.944 0 50 FDAA O=C(NCc1ccccc1-n1ccnc1)NCC1CCS(=O)(=O)CC1 123393906 HXLUCHSKVJPSCN-UHFFFAOYSA-N 362.455 1.496 0 50 FDAA CC1(C)C[C@@H](NC(=O)c2cnn(CCN3CCOCC3)c2)C(C)(C)O1 371537782 JOIRBYUVPCTTDK-OAHLLOKOSA-N 350.463 1.291 0 50 FDAA O=C(c1ccon1)N1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 71707732 XGEHRVYYQBJIGB-UHFFFAOYSA-N 353.382 1.628 0 50 FDAA CCC(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@H]1CC(=O)c1cnn(C)c1 156595909 SWSOUXXZHMXTKI-JKSUJKDBSA-N 360.458 1.775 0 50 FDAA O=S(=O)(NCc1noc2c1CCCC2)c1cnn([C@H]2CCOC2)c1 288720121 YOVOGFHNXDGCNJ-NSHDSACASA-N 352.416 1.190 0 50 FDAA Cn1c(=O)c(C(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)cc2ccccc21 219042407 RMUKMRPVHGSSET-AEFFLSMTSA-N 356.422 1.852 0 50 FDAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2ccno2)[C@@H]3C1=O 77458698 PKDRGSOKVAQCNR-XLSPSMHOSA-N 373.453 1.851 0 50 FDAA CCc1noc(C)c1C(=O)N1C[C@@H](C(=O)O)C[C@@H](C(=O)N2CCCC2)C1 72161547 PTRMSSDNANHNRB-OLZOCXBDSA-N 363.414 1.331 0 50 FDAA Cc1nc(N2CCN(C(=O)c3ccc(CN)cc3)CC2)c2cnn(C)c2n1 237680051 UCFQYGOHHRWMPO-UHFFFAOYSA-N 365.441 1.093 0 50 FDAA Cc1nccn1-c1ccc(N2CCC(C(=O)O)(n3cccn3)CC2)nn1 72412501 PMXAFWGAKDOFEQ-UHFFFAOYSA-N 353.386 1.248 0 50 FDAA O=C(NC[C@H]1CCCCN1CCO)c1cn(CCc2ccccc2)nn1 452379097 QDOHMIWMRRGYEK-QGZVFWFLSA-N 357.458 1.097 0 50 FDAA C[C@@H](NCC1=CCCOC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 286957067 HTDFYNZOKGFJDN-OAHLLOKOSA-N 366.483 1.705 0 50 FDAA CC(C)CN1CCCn2nc(CNC(=O)c3ccc(=O)n(C)c3)cc2C1 82117016 BJXMOWHFWCMQTC-UHFFFAOYSA-N 357.458 1.374 0 50 FDAA CC(=O)NCCNC(=O)c1ccc(-c2cc(C(=O)NC3CC3)ccn2)cc1 426737536 RHLWZLBDRUEBEK-UHFFFAOYSA-N 366.421 1.507 0 50 FDAA O=C([C@H]1CCc2ccccc2O1)N1CCC(Cn2cc(CCO)nn2)CC1 48435740 OMOSKLRISRGTKX-LJQANCHMSA-N 370.453 1.445 0 50 FDAA Cc1cccc(=O)n1CCCNC(=O)[C@H](C)Oc1ccc2c(c1)OCO2 221265070 PIXXWUXLRBVQNJ-AWEZNQCLSA-N 358.394 1.859 0 50 FDAA O=C(C[C@H]1CN(Cc2ccccc2)CCO1)N1CCC(c2nc[nH]n2)CC1 82981585 GDPQOZITYRRRRR-SFHVURJKSA-N 369.469 1.802 0 50 FDAA O=C1C[C@@H](NCc2cc(F)cc3cccnc23)CN1CCN1CCOCC1 178907296 QTAGQJDGHCXINE-GOSISDBHSA-N 372.444 1.397 0 50 FDAA Cc1ccc(C(=O)N2CCn3nc([C@@H](O)c4ccnn4C)cc3C2)cc1F 223652887 ATOUJWYALWDIPX-GOSISDBHSA-N 369.400 1.802 0 50 FDAA Cc1ncsc1CCNC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(C)C)C(=O)[C@@H]13)O2 221339359 REZWSVWQGJLGDJ-FRQROOTJSA-N 361.467 1.301 0 50 FDAA CN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)CCCC(N)=O)CC2 95386611 DOGAXUDYCZNBMG-INIZCTEOSA-N 357.454 1.649 0 50 FDAA C[C@H]1CN(C(=O)CSc2nnc(C3CCNCC3)n2C)C[C@@H](C)O1 426730418 NKEJPSAOZRRDRJ-TXEJJXNPSA-N 353.492 1.010 0 50 FDAA CCc1nn(C)c(Cl)c1CN1C[C@H](C(C)C)[C@@H](NC(=O)COC)C1 91849188 QVGNJIAVWXYZSR-DOMZBBRYSA-N 356.898 1.855 0 50 FDAA CN1C[C@@H](C(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)Oc2ccccc21 97575107 OTRRXKSBUBYZDP-KRWDZBQOSA-N 354.410 1.373 0 50 FDAA Cn1c(C(N)=O)cc2c1CN(C(=O)c1cccc(Cn3cccn3)c1)CC2 91519140 GYIXRBJCQMOGPS-UHFFFAOYSA-N 363.421 1.567 0 50 FDAA OCCN=c1[nH]c([C@@H]2CCOC2)cc(=NCCc2nc3ccccc3o2)[nH]1 426674253 LOSJRKLHKIDMQB-CYBMUJFWSA-N 369.425 1.024 0 50 FDAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Cn1nc3ccccc3n1)C2 95378510 XIPOQCGMGFQEJR-JKSUJKDBSA-N 367.453 1.847 0 50 FDAA CN(C(=O)C1CCN(C(=O)C2CCC2)CC1)[C@H](C(=O)O)c1cccnc1 95500504 PDQMESQPZNQQNS-INIZCTEOSA-N 359.426 1.704 0 50 FDAA COc1cccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 239338943 LLPSZIWVGXFRJN-PXQICXGYSA-N 352.390 1.687 0 50 FDAA C/C=C1/CN2CC[C@@]34c5ccccc5N[C@@]23[C@@H](O)C[C@@H]1[C@]4(CO)C(=O)OC 232322321 VZZBVNLFHYEUHM-OAYYXMERSA-N 370.449 1.244 0 50 FDAA biogenic CCOc1ncccc1[C@@H](C(=O)O)N1CCN(c2nc(C)cnc2C)CC1 95366026 OEYBSVDWUUJUIF-INIZCTEOSA-N 371.441 1.835 0 50 FDAA COCCN(C)C[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CO 92022704 FJBHGFKANJNUIG-HUUCEWRRSA-N 374.403 1.964 0 50 FDAA CC(C)NC(=O)c1ccc(S(=O)(=O)NCCCN2CCCC2)cc1 91830126 GOUNXUIQRHFIMN-UHFFFAOYSA-N 353.488 1.589 0 50 FDAA CSCCC(=O)N1CCC[C@H](c2nnc(Cn3ccnc3C)n2C)C1 95376265 PVEFLDMPCZLPOJ-AWEZNQCLSA-N 362.503 1.827 0 50 FDAA C=CC(=O)NCCC(=O)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F 180304848 FEWRPXTWLUKPPC-OAHLLOKOSA-N 369.343 1.397 0 50 FDAA COCCN(Cc1cccc(OC)c1)C(=O)[C@@H]1CSC(C)(C)C(=O)N1 97679913 HILIVOKLFKDRNQ-HNNXBMFYSA-N 366.483 1.680 0 50 FDAA COc1ccc(NC(=O)N2C[C@H]3CC[C@@H]2CN(CC(=O)N(C)C)C3)cc1 91604501 UWPZSFNPZVCQGM-GOEBONIOSA-N 360.458 1.712 0 50 FDAA CN1CC[C@]2(CCC1=O)CN(C(=O)Cc1ccc(N(C)C)cc1)CCN2C 95375622 YCMQCTSIIILOGH-OAQYLSRUSA-N 372.513 1.450 0 50 FDAA Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1N1CCNC1=O 91504239 IGIIXESUFWKZMM-INIZCTEOSA-N 366.421 1.351 0 50 FDAA CN(CCc1ccccn1)S(=O)(=O)c1ccc(C(=O)NC2CC2)cc1 91915270 UKOWZXRTQWTKGY-UHFFFAOYSA-N 359.451 1.837 0 50 FDAA CN(C)CCN(C)C[C@@H]1CN(C(=O)c2cc(F)ccc2F)C[C@@H]1CO 91452181 SFMHHWWAQCITGV-ZIAGYGMSSA-N 355.429 1.139 0 50 FDAA COc1cccc(-c2nc3c([nH]2)CCN(C(=O)CN2CCOC2=O)C3)c1 96141471 DXTRVXJMMYIHTH-UHFFFAOYSA-N 356.382 1.422 0 50 FDAA NC(=O)Cn1ccnc1C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 95522072 HOQRXNKYGSNPPQ-UHFFFAOYSA-N 360.845 1.971 0 50 FDAA Cc1c(NC(=O)CN2CCC(c3nnc4ccccn34)CC2)cnn1C 244708181 KPCZKBWZAJOIAF-UHFFFAOYSA-N 353.430 1.589 0 50 FDAA CCc1nnc(NC(=O)[C@@H](C)N2CCN(C3CCCCC3)C(=O)C2)s1 244659830 HJPXRLUCQJKMGZ-GFCCVEGCSA-N 365.503 1.904 0 50 FDAA CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ncc(Cl)cc1Cl 182525268 HEDXIOXFWMIIGH-JTQLQIEISA-N 366.270 1.124 0 50 FDAA COc1ccc2c(c1)C[C@H](C(=O)N1CCC[C@H](c3nc(=O)[nH][nH]3)C1)CO2 299073194 UOXKKIDPXNKVAQ-AAEUAGOBSA-N 358.398 1.064 0 50 FDAA Cn1nnc2ccc(C(=O)NC3CCN(Cc4ccccn4)CC3)cc21 185026904 QVSUBTWJZGYISR-UHFFFAOYSA-N 350.426 1.758 0 50 FDAA COCC(=O)NCc1cc2n(n1)CCN(Cc1ccc3ncccc3c1)C2 299788146 RVWZQHSBJVSQAV-UHFFFAOYSA-N 365.437 1.710 0 50 FDAA O=C(C[C@H]1C(=O)NCCN1Cc1cccnc1)NC1(c2ccccc2)CC1 55109093 ZXHUJTCRIFCAGP-SFHVURJKSA-N 364.449 1.578 0 50 FDAA CN(CCC(=O)NCc1ccc2c(c1)CCCC2)[C@H]1CCS(=O)(=O)C1 299762759 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O=C(CN1CCCC1)N1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 67934547 CHZMCIVMADKPIZ-UHFFFAOYSA-N 369.469 1.422 0 50 FDAA CN(C)Cc1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 128576956 WVTAKGIWJQSEJU-UHFFFAOYSA-N 361.467 1.368 0 50 FDAA CCOc1cc2c(cc1/C=C/C(=O)N1CCO[C@@H](C(=O)O)C1)O[C@@H](C)C2 328594983 HORQBBVEIFGOJR-LZCLVUKSSA-N 361.394 1.734 0 50 FDAA Cc1nc(N2CCN(CC(=O)NC3CCCCC3)CC2)c2cc[nH]c2n1 433793484 NVAFRJOXVGOMJE-UHFFFAOYSA-N 356.474 1.837 0 50 FDAA CC(C)CN1C(=O)CC[C@H]2CN(C(=O)CCN3CCCCO3)CC[C@H]21 72481358 CQDFSIVNLSALSY-DLBZAZTESA-N 351.491 1.899 0 50 FDAA Cc1nc2c(c(NCc3noc(C)n3)n1)CCN(C[C@H]1CCOC1)CC2 72433550 BBPYJDLDTFTLOE-CQSZACIVSA-N 358.446 1.526 0 50 FDAA CN(C)c1ccncc1C(=O)N1CCN(C)[C@H](c2nc(C3CC3)no2)C1 284588443 IVANUCSGHKYOQK-HNNXBMFYSA-N 356.430 1.537 0 50 FDAA O=C(CN1CCNCC1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 71551866 WZORWEKVOOPGRI-OAHLLOKOSA-N 358.269 1.799 0 50 FDAA Cc1nn(C)cc1CN1CC2(CCN(C(=O)C3CC3)CC2)C[C@@H]1C(=O)O 72425031 JIUSBJDQROJOOX-MRXNPFEDSA-N 360.458 1.406 0 50 FDAA CC(=O)N1CCCN(c2ccc(F)cc2NC(=O)NC[C@H](C)O)CC1 363915752 AYTJMAMRKMCPRT-LBPRGKRZSA-N 352.410 1.387 0 50 FDAA O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)N1C[C@H](O)C[C@H]1CO 363924368 FDNZXQBDYTVMKF-UONOGXRCSA-N 368.455 1.362 0 50 FDAA COc1cccc(OC)c1C(=O)NC[C@@H]1CCN(c2cnn(C)c(=O)c2)C1 77342291 YYAFVUNMQGFEMS-ZDUSSCGKSA-N 372.425 1.054 0 50 FDAA CN1C(=O)C2(CCN(C(=O)CCc3cc(O)no3)CC2)c2ccccc21 72152775 LUCWDJQOPCUBIU-UHFFFAOYSA-N 355.394 1.850 0 50 FDAA COCCOc1ccc(CNC(=O)[C@H]2CC3(CCNCC3)CN2C)cc1 72463664 LZGVMKJJTUICEJ-GOSISDBHSA-N 361.486 1.402 0 50 FDAA CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cn(CCN3CCNCC3)nn2)C1 77386491 MIWWGGVCNGQKTK-DNVCBOLYSA-N 360.506 1.224 0 50 FDAA NS(=O)(=O)c1ccc(C(=O)NCCc2nc(-c3ccccc3)n[nH]2)cc1 215422611 HDBWSECJHFQCHA-UHFFFAOYSA-N 371.422 1.092 0 50 FDAA COC(=O)c1sccc1S(=O)(=O)N1C[C@@H](NC(C)=O)[C@H](C(C)C)C1 77517823 AQYRWWRPSDXUFF-NWDGAFQWSA-N 374.484 1.316 0 50 FDAA COC1(CNC(=O)N2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)CCC1 376918349 NUQJODPMGTZKME-CABCVRRESA-N 369.462 1.635 0 50 FDAA COC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 32220996 MHYDXUVSGKXLFX-KRWDZBQOSA-N 368.389 1.942 0 50 FDAA C[C@@H]1CCCCN1CCC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 241317045 LXHPSKZPQUGEGB-MRXNPFEDSA-N 359.470 1.941 0 50 FDAA COC[C@@H](C)NC(=O)C1CCN(c2nc(C)nc3c2c(C)nn3C)CC1 72478794 CPQMGIJXNNVACL-LLVKDONJSA-N 360.462 1.348 0 50 FDAA Cc1cc(N2CCN(c3ncccc3C(N)=O)CC2)n2nc(C)c(C)c2n1 72474369 RFTDANQIKHBIDH-UHFFFAOYSA-N 365.441 1.475 0 50 FDAA COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NC(C)C 72437598 CRDHJSJYXCFYEQ-UHFFFAOYSA-N 354.472 1.937 0 50 FDAA O[C@@H]1CN(c2ncccc2Cl)CC[C@H]1N1CCN(c2ccccn2)CC1 71762939 FIPVEIMDTDIELA-IAGOWNOFSA-N 373.888 1.892 0 50 FDAA CN1CCCN(CC(=O)N(C)Cc2ccccc2CN2CCCC2)CC1 222257517 XPOUSJYAVKEZIB-UHFFFAOYSA-N 358.530 1.878 0 50 FDAA O=C(Cc1cccc(F)c1F)N1CCC[C@H](Cn2cc(CO)nn2)C1 20272009 MWUICZPSPHWCPO-LBPRGKRZSA-N 350.369 1.530 0 50 FDAA CCN(CC)CCC(=O)N1CCc2[nH]c(-c3ccc(C(N)=O)cc3)nc2C1 223182749 MJMVHVSTCIBACB-UHFFFAOYSA-N 369.469 1.792 0 50 FDAA Cn1c(SCC(=O)N2CCOc3ccccc32)nnc1[C@@H]1CCCNC1 426597294 VXOZGRJLNUGYAC-CYBMUJFWSA-N 373.482 1.800 0 50 FDAA O=C(NCCn1[nH]c(=O)c2ccccc2c1=O)[C@@H]1CCc2ccccc2O1 221272580 RBRMXGLMMOWVCV-KRWDZBQOSA-N 365.389 1.200 0 50 FDAA O=C(Cn1cc2ccccc2n1)N[C@@H]1CCOC[C@H]1Oc1ccccn1 223295119 MGXSQKQZFMPJIN-IAGOWNOFSA-N 352.394 1.784 0 50 FDAA Cc1ccc(O[C@H]2CCOC[C@H]2NC(=O)CN2CCCCCC2=O)cn1 220406579 VYSMFSHJCHPYQE-SJORKVTESA-N 361.442 1.445 0 50 FDAA O=C(O)c1c(O)cc(=O)n2c1CCN(C(=O)[C@H]1CCc3ccccc31)CC2 426701414 LTXQFOJJBMWCIT-AWEZNQCLSA-N 368.389 1.367 0 50 FDAA CN(C)C(=O)CCc1ccccc1NC(=O)N[C@H]1COC[C@@H]1N1CCCC1 426486077 UTXFAJBKNNRXAF-ROUUACIJSA-N 374.485 1.692 0 50 FDAA C[C@@]1(NC(=O)c2cccc(-c3cncc(C(N)=O)c3)c2)CCS(=O)(=O)C1 426425211 JRSQZDMVNAFNEK-GOSISDBHSA-N 373.434 1.155 0 50 FDAA Nc1nc(C2CC(N)C2)cc(N2CCCN(C(=O)c3ccoc3)CC2)n1 223291790 FJDGLDCZDLRYEL-UHFFFAOYSA-N 356.430 1.209 0 50 FDAA COc1ccc(C(=O)N2C[C@]3(C)CN(C)C[C@](C)(C2)C3)c(OCCN)c1 426566790 CDOJDMFGLHXDJQ-BGYRXZFFSA-N 361.486 1.837 0 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C[C@@H]1CCCN(C(=O)c2ccc(NC(=O)NCc3n[nH]c(=O)[nH]3)cc2)C1 97604263 BIOJQKHNUOFOGU-LLVKDONJSA-N 358.402 1.292 0 50 FDAA CCN1CCN2c3cccc(Cl)c3C[C@]3(C(=O)N=C(O)N=C3O)[C@H]2C1 245324864 BAUZRTHILQFXID-CYBMUJFWSA-N 362.817 1.804 0 50 FDAA CS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)C1 299746544 YCFKSKLKFHUVKY-GXTWGEPZSA-N 372.418 1.129 0 50 FDAA Cc1ccc(Cl)c(OC(C)(C)C(=O)N[C@H]2CO[C@@H]3[C@@H](O)CO[C@H]23)c1 1940195464 FPHJDYTZXYNMJE-DDHJSBNISA-N 355.818 1.449 0 50 FDAA COCc1cc(CNC(=O)c2cccc(-c3nc(OC)n(C)n3)c2)n[nH]1 299794875 KEJWJEQQSPPSMC-UHFFFAOYSA-N 356.386 1.290 0 50 FDAA CCC1(CC)CN(C(=O)C[C@@H]2C(=O)NCCN2Cc2cccnc2)CCO1 72151774 MELSFLJVRDUSNX-QGZVFWFLSA-N 374.485 1.190 0 50 FDAA CN(C)c1ncnc2c1CCN(C(=O)CN1CCOc3ccccc3C1)C2 299767490 HJPZWOKVJRZOQQ-UHFFFAOYSA-N 367.453 1.322 0 50 FDAA O=C(c1ccc(OC(F)F)cc1)N1CC[C@H]2[C@H](C1)OCc1cnnn12 299769041 LQKUZLJNLSROTO-KBPBESRZSA-N 350.325 1.866 0 50 FDAA Cn1cnc2cc(C(=O)N3CCCO[C@H](CN4CCCC4)C3)ccc2c1=O 299793824 HKNUHFLFCUKWFE-MRXNPFEDSA-N 370.453 1.260 0 50 FDAA CN1CCOC[C@H](CNC(=O)CC2CCN(Cc3ccccc3)CC2)C1 299785901 MOQHQCUJKJTTTO-HXUWFJFHSA-N 359.514 1.983 0 50 FDAA O=C(Nc1cnns1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 299766574 KCGKFJKVCPOWRQ-LBPRGKRZSA-N 352.441 1.759 0 50 FDAA Cc1cc(C)n(CCC(=O)N[C@@H]2CCCN(Cc3cccnc3)C2)c(=O)n1 299791016 BYUAYUHKDKDCGN-GOSISDBHSA-N 369.469 1.426 0 50 FDAA Cc1ccccc1Cn1nc(CC(N)=O)nc1[C@H](C)N1C[C@H](C)O[C@H](C)C1 826841904 DULPHDRIWOCECP-XHSDSOJGSA-N 371.485 1.833 0 50 FDAA COc1c2c(c(Br)c3c1[C@H](CC(N)=O)N(C)CC3)OCO2 824528199 DWTJLKWXSTXANA-QMMMGPOBSA-N 357.204 1.591 0 50 FDAA biogenic CSC[C@H](NC(=O)N1CCN(CCc2ccccc2)CC1)C(=O)O 670459504 XBXOBMBTXKKVJH-HNNXBMFYSA-N 351.472 1.373 0 50 FDAA CNC(=O)c1cc(CNC(=O)[C@H](O)c2ncccc2C)n2c1CCCC2 952888004 BFTDHSMBQLTRHH-QGZVFWFLSA-N 356.426 1.237 0 50 FDAA C[C@@H]1c2ccc(O)cc2CCN1C(=O)c1ccc(NS(C)(=O)=O)nc1 1875274546 HUNZDCZFKWMPHD-LLVKDONJSA-N 361.423 1.918 0 50 FDAA COCC(=O)N[C@H]1CCN(Cc2cn(-c3ccc(C(C)C)cc3)nn2)C1 1875354470 WYFOKZHHIVZUFF-INIZCTEOSA-N 357.458 1.728 0 50 FDAA O=C(N[C@@H]1CO[C@@H]2CNC[C@H]12)c1nccnc1-c1nc2ccccc2s1 1875310768 BUKZIJFDJYYQEV-RAIGVLPGSA-N 367.434 1.470 0 50 FDAA O=C1NC(=O)[C@]2(CCCCC[C@@H]2NC(=O)c2ccc(-c3cn[nH]c3)cn2)N1 1875328915 SASZNMQJRPDOGN-KBXCAEBGSA-N 368.397 1.112 0 50 FDAA C[C@@H]1[C@H](C(=O)NC23CCC(n4cc(-c5cn[nH]c5)nn4)(CC2)C3)CCN1C 1875356913 RJKDJPZUOIGEAD-PONQUPCTSA-N 369.473 1.536 0 50 FDAA C=CC(=O)N1CCC(C(=O)N2CCN(C(=O)Oc3ccccc3)CC2)CC1 1875371241 UVSMZKMYVJHKNC-UHFFFAOYSA-N 371.437 1.754 0 50 FDAA Cc1ccn2c(C(=O)N[C@H]3CC[C@@H](CNC(=O)CCN(C)C)C3)cnc2c1 1875374584 XMZSKUBTBUUBLT-CVEARBPZSA-N 371.485 1.609 0 50 FDAA Cc1ccn2cc(C(=O)N3CCc4c(cnn4C)[C@@H]3C(=O)N(C)C)nc2c1 1875394792 WTESGDJJUULURN-QGZVFWFLSA-N 366.425 1.204 0 50 FDAA CCOC(=O)c1cnc(N2CC[C@H](C)[C@@H](NC(=O)C(F)F)[C@@H]2C)nc1 1875341662 BKZSJBQSOWMQMI-JBLDHEPKSA-N 356.373 1.638 0 50 FDAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1cc2ccccc2c(=O)o1 1875400475 AVFOFUIUXKRDBJ-APHBMKBZSA-N 353.378 1.559 0 50 FDAA CC1(C)CC(CC(=O)N2CCC3(CC2)CC(=O)NC(=O)C3)CC(C)(C)N1 952872997 STDKJHUWPYBUNW-UHFFFAOYSA-N 363.502 1.979 0 50 FDAA CO[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cnn3c2OCCC3)[C@H]1C 886093364 DKQPVZXJLXLHJJ-SWLSCSKDSA-N 363.439 1.821 0 50 FDAA Cn1nc(C(F)(F)F)cc1S(=O)(=O)NC[C@H]1CNCc2ccccc21 888100061 DZWRKUWMHIUXAT-LLVKDONJSA-N 374.388 1.604 0 50 FDAA O=C(CCN1CCCCCCC1)N[C@H]1CCN(Cc2cccnc2)C[C@@H]1O 1565510336 ROSDZJGPERSGTO-PMACEKPBSA-N 374.529 1.789 0 50 FDAA CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCC4(CCOCC4)C3)c2C1 1320738783 ZBWDIZKFSRGDCO-OAHLLOKOSA-N 360.458 1.224 0 50 FDAA O=S(=O)(NCC1CC1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 170598630 RFMJAJBDAGAMNJ-UHFFFAOYSA-N 373.481 1.632 0 50 FDAA CNC(=O)c1cccc(CCNC(=O)[C@@H]2COCCN2C2CCCC2)c1 193327699 WMARAMFZMBUFSV-SFHVURJKSA-N 359.470 1.348 0 50 FDAA CC1=C(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)CCCO1 794517361 KUZRRBBSHPXHHB-CRAIPNDOSA-N 358.442 1.815 0 50 FDAA CN(Cc1ccccc1)C(=O)CCN1C[C@@H](O)[C@H](Cc2ccncc2)C1 1704302946 FIMNFRKXVNHVFP-WOJBJXKFSA-N 353.466 1.966 0 50 FDAA CN(Cc1cc(=O)n2nc(C3CC3)sc2n1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704358688 QSOUDTIVMQFGNL-MBNYWOFBSA-N 373.482 1.375 0 50 FDAA Cc1ncc(CN(CCN(C)C)C(=O)CN(C)Cc2ccc(F)cc2)[nH]1 1704337355 RAKPTKRJKUBOBH-UHFFFAOYSA-N 361.465 1.879 0 50 FDAA Cn1c(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3CCN)C2)cc2ccccc21 215286968 YOYRHKSUUZLFDK-WBVHZDCISA-N 354.454 1.590 0 50 FDAA COc1ccccc1CN1C[C@H](C(=O)N2CCC(C3(O)CC3)CC2)CC1=O 1772813629 KMTNWNPXRVKXOT-MRXNPFEDSA-N 372.465 1.807 0 50 FDAA CC(C)N1CCNC(=O)[C@H]1CC(=O)NCCc1ccc(C(F)(F)F)cc1 12712301 HTFYZWSKYQNWBZ-OAHLLOKOSA-N 371.403 1.963 0 50 FDAA Cc1nnnn1-c1ccc(CC(=O)NCc2cn3c(C)cccc3n2)cc1 19743648 KFFLEEOHJUEIFE-UHFFFAOYSA-N 361.409 1.786 0 50 FDAA Cc1ccc2oc(N3CCC(C(=O)N[C@H]4CCCCNC4=O)CC3)nc2n1 1857695656 SITZZNUTTKKMGE-AWEZNQCLSA-N 371.441 1.533 0 50 FDAA COCCC[C@@]1(CO)CN(C(=O)c2ccc(-c3cc[nH]n3)cc2)CC[C@H]1O 1857716729 FHISEEJLKXGGKH-QUCCMNQESA-N 373.453 1.689 0 50 FDAA CCc1nc(-c2ncccn2)sc1C(=O)N1CCC[C@]2(CNC(=O)O2)C1 1857724123 MUOGRGFUJZXIGO-KRWDZBQOSA-N 373.438 1.877 0 50 FDAA Cc1cc(C[C@@H]2CN(C(=O)c3cc(-c4ccccc4)nn3C)C[C@@H]2O)n[nH]1 1857733156 XRMVPXBCIQEQKS-BEFAXECRSA-N 365.437 1.794 0 50 FDAA O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)[C@@H]1C[C@H](O)CN1 238102358 YVRYZNUCBFIQCY-ROUUACIJSA-N 363.421 1.273 0 50 FDAA CCC(CC)N1C[C@H](C(=O)N2C[C@H](OC)C[C@@H]2c2nnc(C)o2)CC1=O 779861033 KZNJZSWSNXWXLM-BPLDGKMQSA-N 364.446 1.704 0 50 FDAA C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2ccnc(-n3cccn3)c2)C[C@@H](C)O1 265790617 LOELEHWJHSZPEW-JFIYKMOQSA-N 369.469 1.981 0 50 FDAA CCC[C@]1(C(=O)O)CN(S(=O)(=O)c2ccc(C)cc2F)CC[C@@H]1O 1704341466 SQWHMRFGTZFIQH-HOCLYGCPSA-N 359.419 1.761 0 50 FDAA O=C(NC[C@@H](C(=O)O)C1CCOCC1)c1cnn2cccc(Cl)c12 851607950 WLZJRBOQXKLINQ-LLVKDONJSA-N 351.790 1.845 0 50 FDAA CC(C)[C@@H](NS(=O)(=O)Cc1ccccc1Br)C(=O)O 262290359 HBFBIQRMYIXJPJ-LLVKDONJSA-N 350.234 1.978 0 50 FDAA COC(=O)[C@@](NS(C)(=O)=O)(c1c(C)[nH]c2ccccc12)C(F)(F)F 2503968 JBFYMWYBTGZATO-ZDUSSCGKSA-N 364.345 1.956 0 50 FDAA Cn1cc(-c2ccnc(NC(=O)N3CCC[C@H]3c3nncn3C)c2)cn1 2325781888 ZVPYKTVSFBQXOI-AWEZNQCLSA-N 352.402 1.980 0 50 FDAA Cc1cccc(N2CCN(CC(=O)N3CCN(C4CC4)C[C@H]3C)CC2)c1 2356137435 XSCHLMOEHUDSGE-GOSISDBHSA-N 356.514 1.812 0 50 FDAA O=C1OC[C@H]2CN(Cc3ccccc3OCCCN3CCOCC3)C[C@@H]12 2356141234 ZEPXDBQTZBJMOG-QZTJIDSGSA-N 360.454 1.393 0 50 FDAA COc1cc2c(cc1-c1cc(C(=O)N3CCN(C)CC3)ccn1)OCO2 2356148474 ZIUNKQSCSPXPLN-UHFFFAOYSA-N 355.394 1.874 0 50 FDAA COC1(C(=O)N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)CCNCC1 2356153868 YDNCTJKNGOSQBN-LJQANCHMSA-N 373.501 1.118 0 50 FDAA C[C@@H]1C(=O)N(Cc2ccccc2)Cc2nnc(CCCN3CCOCC3)n21 2356158169 DKZIAVDGHPMLTF-MRXNPFEDSA-N 369.469 1.646 0 50 FDAA CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 6741085 ATULIXOTKIBDSL-QGZVFWFLSA-N 366.483 1.822 0 50 FDAA Cc1cccc2nc(C(=O)N3CCC(Cn4cc(CN)nn4)CC3)c(F)n12 23430706 ZXZDRXXIDPOJQV-UHFFFAOYSA-N 371.420 1.384 0 50 FDAA O=C(c1cc2n(n1)CCCN(c1ccc(Cl)nn1)C2)N1CCOCC1 65386105 PTBDKWFZYRQMTN-UHFFFAOYSA-N 362.821 1.209 0 50 FDAA CC1=C(C(=O)NCc2cncn2CC(C)C)[C@@H](c2cccnc2)NC(=O)N1 67489916 BAYHKWXZQFZXBV-QGZVFWFLSA-N 368.441 1.878 0 50 FDAA Cc1ncc(C(=O)N2CCC([C@@H](O)CCc3ccccc3)CC2)c(=O)[nH]1 77453128 CNDDPQTYVNWRLJ-SFHVURJKSA-N 355.438 1.924 0 50 FDAA C[C@H]1C(=O)N(C)CCN1Cc1ccc(OCC(=O)N2CCCCC2)cc1 67688781 NALBQQXVNZKLLK-INIZCTEOSA-N 359.470 1.740 0 50 FDAA CCn1nc(C(=O)O)c2c1CC[C@@H](NCc1nc(-c3ccncc3)n[nH]1)C2 67879933 DXKTVRVSUBWCNO-GFCCVEGCSA-N 367.413 1.428 0 50 FDAA CC1CCN(S(=O)(=O)c2cccc(C(=O)NCCN(C)C)c2)CC1 65362986 AGZZKVHFEVGWLR-UHFFFAOYSA-N 353.488 1.399 0 50 FDAA CC(=O)N1CCc2cc(C(=O)NC[C@@H](C)CN3CCN(C)CC3)ccc21 121877206 AUKUUUCTSCHUMG-OAHLLOKOSA-N 358.486 1.209 0 50 FDAA COc1ccc(Br)cc1/C=C/C(=O)N1CCOC[C@@H]1C(=O)O 328586226 ARGCQUMJNGBPKB-ROLFPQFPSA-N 370.199 1.783 0 50 FDAA CN(C)CCOc1ccccc1CNC(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 151292745 YJEWFNZEHBOMKG-SJORKVTESA-N 374.485 1.580 0 50 FDAA CN(CCCN1CC2(CCN(C(=O)CO)CC2)OC1=O)C1CCCCC1 72433856 OTASLGUNUALMTO-UHFFFAOYSA-N 367.490 1.447 0 50 FDAA COc1ccccc1CNC(=O)[C@@H]1CCCN(c2ccc3nncn3n2)C1 32105293 SQMDWAVSMHVSOZ-OAHLLOKOSA-N 366.425 1.666 0 50 FDAA Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)c2cn3c(n2)CNCC3)n1 72171468 GRYZNYXIXHLIAX-JTQLQIEISA-N 370.379 1.576 0 50 FDAA O=C(c1ccc(=O)[nH]c1)N1CCN(Cc2coc(-c3ccccc3)n2)CC1 159432235 UZWKXEXMHUOBRE-UHFFFAOYSA-N 364.405 1.988 0 50 FDAA Cc1cc(C(=O)N2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)[nH]n1 72477465 NJDKIROARJDMHK-QGZVFWFLSA-N 363.506 1.100 0 50 FDAA NC(=O)c1ccc(CN[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc1 370641277 AFRLTITVWVAKHM-INIZCTEOSA-N 359.451 1.338 0 50 FDAA NS(=O)(=O)CCCC(=O)N1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1 72476676 QXARKWCGDUMOTN-AWEZNQCLSA-N 368.434 1.824 0 50 FDAA CC[C@H](NC(=O)N1CCC(OC2CCC2)CC1)C(=O)N1CCOCC1 333432134 UTOAABSSEQJEGM-INIZCTEOSA-N 353.463 1.367 0 50 FDAA COc1cccc(C(=O)NCCNC(=O)[C@@H]2Cc3cc(F)ccc3O2)c1 128283503 VYELHPMIDWZRQL-KRWDZBQOSA-N 358.369 1.684 0 50 FDAA COCCn1ccnc1CN1CCn2nc([C@H](O)c3ccccc3)cc2C1 219916209 VOESHTHKUKMSCW-HXUWFJFHSA-N 367.453 1.824 0 50 FDAA O=C(NC[C@@H]1CCCN1C1CCCCC1)N1CCN([C@H]2CCNC2)CC1 333668096 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CC[C@@H](C(=O)N1CCN(CC)CC1)N(c1ccccc1F)S(C)(=O)=O 67629838 QRVOJXGEAFUCPS-HNNXBMFYSA-N 371.478 1.534 0 50 FDAA CN(C)Cc1nc(C(=O)NCc2cccnc2N2CCN(C)CC2)cs1 67743055 AIOHRSXPZGNTKT-UHFFFAOYSA-N 374.514 1.282 0 50 FDAA O=C(NCc1nnc2n1CCN(C/C=C/c1ccco1)CC2)[C@H]1CCOC1 64031706 ZMWXJGHBVGVRKV-KZTTYJGESA-N 371.441 1.095 0 50 FDAA OCCc1cn(C2CCN(Cc3cnn(-c4ccccc4)c3)CC2)nn1 23479024 FEJCPVSZXGYTQH-UHFFFAOYSA-N 352.442 1.836 0 50 FDAA Nc1ncc(CN2C[C@@H]3CN(Cc4ccccc4)C[C@]3(C(=O)O)C2)cn1 65385546 VWIZKSFJEBZUKQ-LPHOPBHVSA-N 353.426 1.077 0 50 FDAA CC1=NN(C(=O)c2nn(C)cc2Br)[C@](O)(C(F)(F)F)C1 998444 AKGLOEGERQLNQA-SECBINFHSA-N 355.114 1.655 0 50 FDAA CC(C)Cc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)cc1 1460308 OUCQRUMHGRKOHR-UHFFFAOYSA-N 360.501 1.151 0 50 FDAA CCn1ncc(CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1C 2761931 DQZBSHJFTBNIRY-UHFFFAOYSA-N 350.444 1.991 0 50 FDAA CN1N=C(C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)CCC1=O 363327141 KBKRYQHPLOFPFB-UHFFFAOYSA-N 365.393 1.558 0 50 FDAA 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1.600 0 50 FDAA O=C(c1csc(O)n1)N1CCOC[C@@H]1c1ncn(Cc2ccccc2)n1 375968809 LGIRMCCTHJVATM-CQSZACIVSA-N 371.422 1.702 0 50 FDAA CN1C(=O)C[C@H](C(=O)N2CCO[C@H](C(=O)O)C2)[C@@H]1c1cccc(Cl)c1 262915240 DFKZBBKUKOZNIG-YDHLFZDLSA-N 366.801 1.171 0 50 FDAA CC[C@H](NS(=O)(=O)c1cc(CC(=O)O)ccc1OC)C1CC(O)C1 219332712 AVVXOMZKHLYOIS-BPCQOVAHSA-N 357.428 1.150 0 50 FDAA COc1cc(OC)nc(N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)n1 71278924 JXIYTLOIQCXIAV-QWHCGFSZSA-N 359.382 1.577 0 50 FDAA CCc1nc(N2CCC([C@@H](O)c3nccn3C)CC2)c2cnn(C)c2n1 72146547 MYBJTNXQQKDJNV-OAHLLOKOSA-N 355.446 1.609 0 50 FDAA Cc1nc(N)nc(C)c1CC(=O)N1CCCN(Cc2cccnc2)CC1 71315489 MKPASGZMZZJJPF-UHFFFAOYSA-N 354.458 1.348 0 50 FDAA Cc1nccn1CCC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(=O)O)cc1 223929895 UJSPHHZKYGDFNE-IAGOWNOFSA-N 373.409 1.633 0 50 FDAA CCn1cc(CN2CCCn3nc(CNC(=O)C4CCC4)cc3C2)cn1 82133939 YJJGYLURVOJIFU-UHFFFAOYSA-N 356.474 1.922 0 50 FDAA Cc1cccc2[nH]c(COCC(=O)NCc3ccc4[nH]c(=O)[nH]c4c3)nc12 223706491 WJJVTHPLDKLPHB-UHFFFAOYSA-N 365.393 1.874 0 50 FDAA COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Br)C[C@@]23C=C[C@H]1O3 222331860 LDXMVMBHJUGHRZ-IATRGZMQSA-N 364.195 1.909 0 50 FDAA CN(Cc1n[nH]c2c1CCCC2)C(=O)Cn1ccc([C@H]2CCCNC2)n1 426422796 FZCLKQCPGMPZCN-AWEZNQCLSA-N 356.474 1.611 0 50 FDAA COC(=O)N1CCCC[C@@H]1C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 82099303 WXJZKTLRJRXBPO-CQSZACIVSA-N 358.398 1.502 0 50 FDAA Cc1cnc(N2CCC(c3nnc(CN(C)C)n3C)CC2)nc1N(C)C 82096417 HEXXVTUHFAWRLD-UHFFFAOYSA-N 358.494 1.425 0 50 FDAA CCOc1ccc([C@@H]2[C@H](C(=O)OC)C(=O)C[C@](C)(O)[C@@H]2C(=O)OC)cc1 239432724 WFEUSWMZEFNFQO-JEWRLFTDSA-N 364.394 1.471 0 50 FDAA CN1CCN(C)C2(CCN(C(=O)[C@H](c3cccnc3)N3CCCC3)CC2)C1 230141727 MRLLBPLYIMDTMO-IBGZPJMESA-N 371.529 1.457 0 50 FDAA CCCN1CCC[C@]2(CCN(C(=O)Cn3nc(C)c(C)cc3=O)C2)C1=O 91663369 DNRRTGAIOHMOPN-LJQANCHMSA-N 360.458 1.111 0 50 FDAA OC1CN(c2nc(NCc3cc4ccccc4[nH]3)cc([C@H]3CCOC3)n2)C1 426584040 PRDPOYAKGBLFFW-AWEZNQCLSA-N 365.437 2.255 0 50 FDAA Cn1c(N2CC[C@H](O)C2)nc2cc(C(=O)NCCc3ccccn3)ccc21 95385121 AHNDHPIPQXQFJI-INIZCTEOSA-N 365.437 1.512 0 50 FDAA Cc1ccc([C@H](CNC(=O)c2cnc3ccnn3c2C)N2CCOCC2)o1 97217406 MKAZSYXYQCOJPR-INIZCTEOSA-N 369.425 1.742 0 50 FDAA CCOc1ccccc1CN1C[C@@H]2CC[C@H](C1)N(CC(=O)N(C)C)C2=O 91817662 FEQLEXSQKHGUBB-DLBZAZTESA-N 359.470 1.596 0 50 FDAA COc1ccnc(N2CCC(c3nnc(Cn4cccn4)n3C)CC2)n1 96147805 ZRMUKJMZGXMVGS-UHFFFAOYSA-N 354.418 1.243 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cc(-c3ccc(O)cc3)n[nH]2)CN1CC 91846696 VTWZGOVWVMLZIA-GUYCJALGSA-N 371.441 1.111 0 50 FDAA C[C@H]1CN(C(=O)c2cnnn2-c2c(Cl)cccc2Cl)CC(=O)N1 295850811 DKRNSRLKOLRFIJ-QMMMGPOBSA-N 354.197 1.535 0 50 FDAA COc1ccc2c(c1)[C@@H](C(=O)NCc1nc(CSC)no1)CC(=O)N2 91876651 GFYJYTPEVYIHHW-NSHDSACASA-N 362.411 1.683 0 50 FDAA Cn1c(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc(=O)n(C)c1=O 95516535 LNAFLTPYWGUUHJ-LBPRGKRZSA-N 368.393 1.245 0 50 FDAA CN(C)CCN1C(=O)CC[C@@H]1CCNC(=O)c1cc(=O)[nH]c2ccccc12 91593962 DWDULSWIPBNBJA-CQSZACIVSA-N 370.453 1.201 0 50 FDAA Cc1cc(C)n(CCCn2ccnc2-c2cn(C3CCNCC3)nn2)n1 91519139 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Cc1cccc(N2CCN(C(=O)c3nnn4cc(C)nc(O)c34)CC2)c1 263618877 VXSOBMQZFJZAKQ-UHFFFAOYSA-N 352.398 1.409 0 50 FDAA CCN1CCN(CCCNC(=O)N2CCC[C@H](c3ccncn3)C2)CC1 534634943 NRHUEFUHTLVRCJ-KRWDZBQOSA-N 360.506 1.393 0 50 FDAA Cc1noc(C)c1CN1CC[C@@H](NC(=O)CCc2cccnc2)[C@H](O)C1 299790600 BNOOAGPZNPKYAS-QZTJIDSGSA-N 358.442 1.371 0 50 FDAA CC(C)(O)Cn1nc(Cc2cccc(Cl)c2)nc1C1=NNC(=O)CC1 828250425 GCNJYQRWRYORJW-UHFFFAOYSA-N 361.833 1.907 0 50 FDAA O=C(CCC(=O)Nc1nncs1)NCc1nc2c(s1)CCCC2 828032045 LDHLFYAPRVZSKQ-UHFFFAOYSA-N 351.457 1.909 0 50 FDAA Cc1[nH]nc2c1CN(C(=O)N[C@H]1CC(=O)N(Cc3ccccc3)C1)CC2 584891993 PXBNVSGKNOBBEN-HNNXBMFYSA-N 353.426 1.587 0 50 FDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@H](O)c2ccccc2)cc1 670454144 XXFHYDYZXJPNNZ-QGZVFWFLSA-N 362.451 1.513 0 50 FDAA CO[C@H]1C[C@@H](CNc2ncnc3c2ncn3C)N(c2cc(C)ncn2)C1 952850549 NUXPZRWEBGUOEA-STQMWFEESA-N 354.418 1.168 0 50 FDAA Cc1nccn1-c1cncc(N2CCC([C@@H]3CC[C@H](C(=O)O)O3)CC2)n1 952885951 DIOKXXCWJBIWSA-LSDHHAIUSA-N 357.414 1.819 0 50 FDAA 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FDAA CC(C)CCC(=O)NCC(=O)Nc1cccc(CN2CCNC(=O)C2)c1 291223727 PCBWFWUERFOHLI-UHFFFAOYSA-N 360.458 1.109 0 50 FDAA O=C(Cc1cccnc1)N1CCN(Cc2ccc3c(c2)OCO3)C(=O)C1 222306878 QTLLABLXHDJTIY-UHFFFAOYSA-N 353.378 1.224 0 50 FDAA NC(=O)Cc1nc(-c2ncc(F)cc2F)n(-c2ccc(F)c(F)c2)n1 96179871 RLYDLUAZACSBTG-UHFFFAOYSA-N 351.263 1.914 0 50 FDAA NC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)c2ccc3nccnc3c2)C1 95525893 ORFXKFQEYVMQQG-CQSZACIVSA-N 364.409 1.331 0 50 FDAA CCCNc1ncc(CN2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)cn1 95375047 KLRFFXXEBYUHTB-AWEZNQCLSA-N 361.446 1.196 0 50 FDAA CCC[C@H]1CN(c2ccc(Cl)cn2)C[C@@H]1NC(=O)C1(C(N)=O)CC1 91781168 LYKOFWVSTRMWQA-AAEUAGOBSA-N 350.850 1.722 0 50 FDAA CN(C)C[C@H]1C[C@@H](CO)CN(C(=O)c2cccc(N3CCCC3=O)c2)C1 92081792 UQRDTXADFDRWLO-HZPDHXFCSA-N 359.470 1.446 0 50 FDAA CCc1cc(N[C@H]2CN(C(=O)CN3CCOCC3)C[C@@H]2C2CC2)ncn1 91724563 YODQUPOYUWWPNC-SJORKVTESA-N 359.474 1.020 0 50 FDAA CN1CCN(c2ccc(C(=O)N3CC[C@]4(CCCNC4=O)C3)cc2)CC1 91985764 HKIYJTNLFYISDD-HXUWFJFHSA-N 356.470 1.181 0 50 FDAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cc(-c3cccn3C)n[nH]2)on1 91518983 HVYJDGNNJALNAJ-WBMJQRKESA-N 355.398 1.699 0 50 FDAA Cc1nn(C)c(C)c1CN(CCO)C(=O)[C@@H](C)N1CCc2ccccc2C1 95368492 BSTQVCZGKDPBFR-QGZVFWFLSA-N 370.497 1.805 0 50 FDAA CC(C)(C(=O)O)c1cnc(N2CCC[C@@](C)(O)C2)nc1N1CCOCC1 96140650 LFGLLCZJSIMHMW-GOSISDBHSA-N 364.446 1.027 0 50 FDAA Cc1nccn1Cc1nnc(C2CCN(C(=O)c3cccnc3)CC2)n1C 91656155 DFUORCGNNAOZRP-UHFFFAOYSA-N 365.441 1.783 0 50 FDAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)C(=O)c2ccccc2)CN1CC(C)C 96141218 IQQDDCWVNKMDTM-MSOLQXFVSA-N 373.497 1.953 0 50 FDAA Cc1nn(CC(=O)NCc2cn3c(n2)SCC3)c(=O)c2ccccc12 91656908 GHVDAZPCWYMECY-UHFFFAOYSA-N 355.423 1.324 0 50 FDAA CCn1c(C)ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCCCC3)C2)c1=O 91965882 VBKZWTUTQDTJBC-IAGOWNOFSA-N 361.486 1.343 0 50 FDAA O=C(N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)c1cc2ncccn2n1 243919577 BPEKHCAKBKSUED-KHYOSLBOSA-N 364.405 1.906 0 50 FDAA Cc1cc([C@@H]2CCCN2C(=O)CN2CCN(c3ncccn3)CC2)no1 244874250 WXHQRWZWXHHLKW-INIZCTEOSA-N 356.430 1.259 0 50 FDAA CCOC(=O)CCCC[C@@H]1SC[C@H](NC(=O)OC)[C@H]1NC(=O)OC 250662928 GKCWBSANFAZKKX-GMXVVIOVSA-N 362.448 1.675 0 50 FDAA O=C(O)C[C@@H](NC(=O)[C@@H]1COCCO1)c1ccc(Br)cc1 299365897 OPHMRJOMERZQBO-NEPJUHHUSA-N 358.188 1.497 0 50 FDAA COc1cc2c(cc1OC)CN(C(=O)Cn1c(C)ccc1C)[C@H](C(N)=O)C2 253414678 YEUQYIZYBWRIQU-INIZCTEOSA-N 371.437 1.561 0 50 FDAA biogenic Cn1nc(-c2ccc(C(=O)NCCc3noc(C4CC4)n3)cc2)ccc1=O 534669612 WCRNNMPFAYQRCQ-UHFFFAOYSA-N 365.393 1.680 0 50 FDAA COc1ccc(C(=O)N2CC[C@](Cc3ccccc3)(C(=O)O)[C@H](O)C2)cn1 1940196902 CTGQQPXRYGSMOI-OXQOHEQNSA-N 370.405 1.611 0 50 FDAA CNC(=O)c1[nH]nc2c1CN(CCCOc1ccc(C(=O)O)cc1)CC2 299785045 ZAGRVLIPXCJTIT-UHFFFAOYSA-N 358.398 1.295 0 50 FDAA CC(C)N1CCO[C@H](CC(=O)NCC2CCN(Cc3ncc[nH]3)CC2)C1 827812457 MJENHNXIEDFEQL-QGZVFWFLSA-N 363.506 1.237 0 50 FDAA COCc1noc(CNC(=O)C2CCN(C(=O)c3ccc(C)cc3)CC2)n1 824490856 WUYFUWNRTDGEBB-UHFFFAOYSA-N 372.425 1.693 0 50 FDAA COCCCOCCC(=O)N(Cc1nccn1C)[C@H]1CC12CCNCC2 952895447 WHENDAHKSHQKSC-INIZCTEOSA-N 364.490 1.334 0 50 FDAA CN1CCC2(CC1)CN(C(=O)c1ccc(NC3CC3)nc1)[C@@H]1COC[C@@H]12 1875297460 QYJYHDUJEWWRSI-DLBZAZTESA-N 356.470 1.839 0 50 FDAA Cc1ccc(C[C@H](C)N(C)c2ncnc3c2ncn3C(CO)CO)cc1 1875269104 FLQCXFQSTRUOGK-AWEZNQCLSA-N 355.442 1.728 0 50 FDAA O=C(c1ccc(-n2ccnn2)cc1)N1C[C@@H]2CN(C(=O)C3CCC3)C[C@@H]2C1 1875309763 MDGNKQVIFBQPSK-CALCHBBNSA-N 365.437 1.598 0 50 FDAA CC(C)OCc1nnc([C@H](C)NC(=O)Nc2cnc(C(N)=O)s2)s1 1875353155 LFMKCPLOWVJMNY-ZETCQYMHSA-N 370.460 1.901 0 50 FDAA Cc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)[C@H]2CCCC(=O)N2)c(C)c1 1875326903 KFMZBKZITPEIKL-NVXWUHKLSA-N 357.454 1.693 0 50 FDAA COCC1CC(NC(=O)c2nc(C)c(C)c(N3CC[C@@H](N(C)C)C3)n2)C1 1875403910 KMGWECOZIFTFPY-UYSNPLJNSA-N 361.490 1.389 0 50 FDAA Cc1nc(C(=O)NCCC2(O)CCC2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875404124 WBAPLMKVCPGFCM-OAHLLOKOSA-N 361.490 1.269 0 50 FDAA Cn1c(O)nnc1[C@H]1[C@H](C2CC2)CCN1C(=O)c1cnc2c(c1)CCCO2 1875401074 DYAHQOUOAPKRDU-LSDHHAIUSA-N 369.425 1.854 0 50 FDAA CNC(=O)C[C@@H]1CN(C(=O)NCc2cc(OC)c3ccccc3c2)C[C@H]1O 1875401456 YPPWQKBCWWWTQH-NVXWUHKLSA-N 371.437 1.487 0 50 FDAA Cc1ccc([C@H](NC(=O)[C@@H]2CCCN(CC(N)=O)C2)c2ccncc2)cc1 952869645 XOFRQTUFXBEQFE-QUCCMNQESA-N 366.465 1.793 0 50 FDAA Cc1cc(C(=O)N[C@@H]2C[C@@]3(C[C@H]2O)CN(C)[C@@H]3C(C)C)c2nccn2c1 888094696 IARIJAMWDXQERI-WOCWXWTJSA-N 356.470 1.852 0 50 FDAA Cc1nc2ccc(C(=O)N[C@H]3CCN(Cc4cscn4)C[C@@H]3O)cc2o1 1565516983 WFCDXDNCTJGAPV-HOCLYGCPSA-N 372.450 1.958 0 50 FDAA COc1ccc(CC(=O)N[C@H]2CCN(C(=O)c3ccccn3)C[C@@H]2O)cc1 1565507181 GVYZICUUIRRLSM-WMZOPIPTSA-N 369.421 1.025 0 50 FDAA Cn1cc(CNC(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)cn1 275319251 DJDRJMRPUJDLPT-MRXNPFEDSA-N 370.457 1.778 0 50 FDAA O=C(NCCn1ccnc1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 276282095 NBELOTTWMQXQNQ-MRXNPFEDSA-N 370.457 1.741 0 50 FDAA Cn1cc(S(=O)(=O)N(CC(F)F)c2ccc(F)cc2)cc1C(N)=O 170618562 NXCWYYHTLYSUAP-UHFFFAOYSA-N 361.345 1.724 0 50 FDAA CNC(=O)[C@@]1(C)CCN(CC(=O)Nc2cc(C)nn2-c2ccccc2F)C1 281062244 KBUPXPDTGWUPEW-IBGZPJMESA-N 373.432 1.716 0 50 FDAA COc1ccc(C)cc1S(=O)(=O)N1CCO[C@H](c2cnn(C)c2)C1 281692995 DOSWFGIPLGJYEH-HNNXBMFYSA-N 351.428 1.499 0 50 FDAA C[C@H]1CC(=O)CC[C@@H]1C(=O)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 408479014 SONPJZVQVAXLQM-HZMBPMFUSA-N 364.423 1.382 0 50 FDAA CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2Cc2ccccc2)C1 755169309 OGELFONZWXGYEX-GVDBMIGSSA-N 350.484 1.653 0 50 FDAA C[C@H](CNc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1nncn1C 190285122 PDBKTKQEJZVBRZ-LLVKDONJSA-N 350.386 1.453 0 50 FDAA Cc1nc(COC(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)no1 795839117 ZEFVMFBKJQPYEC-ZDUSSCGKSA-N 361.276 1.053 0 50 FDAA CN(Cc1cc(-c2ccccn2)no1)C(=O)[C@H](N)Cc1ccc(O)cc1 1506422927 SSTNKLHGWACYBB-MRXNPFEDSA-N 352.394 1.971 0 50 FDAA CN(CC(=O)N1C[C@@H](O)[C@H](Cc2ccccn2)C1)Cc1ccc(F)cc1 1704300868 ALOZVMJPDKVAOC-VQIMIIECSA-N 357.429 1.715 0 50 FDAA CSc1ncc(CN2CCCN(C(=O)c3cn(C)nc3C)CC2)cn1 1800412152 VGOXTEJOLZTKRW-UHFFFAOYSA-N 360.487 1.589 0 50 FDAA COc1ccc([C@H]2CN(C(=O)CCn3cccn3)C[C@@H]2NC(C)=O)cc1 216531447 UHVFWMXXJLGTJW-MSOLQXFVSA-N 356.426 1.413 0 50 FDAA Cc1nn2ncccc2c1C(=O)NCc1csc(-c2ncccn2)n1 1775978346 MUGHJRBXXBNOHX-UHFFFAOYSA-N 351.395 1.881 0 50 FDAA CCn1ccc(CN[C@@H]2CCN(c3nc(C(=O)NC)nc(C)c3C)C2)c1 1857528432 LRKRPSXQBMLYGE-MRXNPFEDSA-N 356.474 1.643 0 50 FDAA O=C(Cn1c(C2CC2)nc2ccccc21)N1C[C@@H]2CCOC[C@]2(CO)C1 1857669758 XBCKCUOWGRUQDA-MGPUTAFESA-N 355.438 1.771 0 50 FDAA CN1C(=O)[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1OC(F)(F)F)C2 1857712328 IYVHDKQXBSFBQA-MNOVXSKESA-N 358.316 1.514 0 50 FDAA CC(C)=CCCN1C[C@@H]2[C@H](CNC(=O)CCn3cnnn3)[C@H]3CC[C@]2(C1)O3 1857740613 MDDAOCVFCPHRNQ-DODZYUBVSA-N 374.489 1.015 0 50 FDAA Cc1ccc(C)c(CC(=O)N2C[C@@H]3CC[C@H]2CN(S(C)(=O)=O)C3)c1 247518709 KRPWPRXWYHQERI-WBVHZDCISA-N 350.484 1.728 0 50 FDAA Cc1ccsc1CN1C[C@@H]2OC(=O)N(CCCN3CCOCC3)[C@@H]2C1 253598950 JGKISCMHIFBNFU-CVEARBPZSA-N 365.499 1.784 0 50 FDAA CCOC(=O)N1CCN(C(=O)CN(CC)[C@H]2CCOC(C)(C)C2)CC1 810043993 VNYFCOZHLJXKKQ-HNNXBMFYSA-N 355.479 1.567 0 50 FDAA Cc1c(CC(=O)N2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)cnn1C 818498280 PBYPJMBJQLKZPW-SFHVURJKSA-N 359.430 1.128 0 50 FDAA Nc1cc(N)nc(SCC(=O)Nc2ccc(Br)cn2)n1 2768966 QPSSUOVNSVIKTJ-UHFFFAOYSA-N 355.221 1.529 0 50 FDAA CNC(=O)[C@H]1CC[C@H]2OCCN(C(=O)c3cc4c(nc3OC)CCC4)[C@@H]2C1 2100482461 AWLMBEKEIBLSOR-IAOVAPTHSA-N 373.453 1.335 0 50 FDAA CN(C(=O)c1cc2c(cnn2C)nc1O)[C@H]1CCN(c2ccncc2)C1 2325783892 JMNXDUNVOQCZNR-ZDUSSCGKSA-N 352.398 1.420 0 50 FDAA CC(C)[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccnc(-c2nn[nH]n2)c1 2325807990 QMPZFEVTJCWTCU-GDBMZVCRSA-N 355.446 1.597 0 50 FDAA C[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1nnnn1-c1ccccc1 115297843 SCQSWTFZCPPDJL-ZIAGYGMSSA-N 368.441 1.631 0 50 FDAA NC(=O)NC(=O)c1ccsc1NC(=O)c1cc2ccccc2oc1=O 4804813 UDIMMCXTPOUNHR-UHFFFAOYSA-N 357.347 1.915 0 50 FDAA O=C(c1cnc2sccn2c1=O)N1CCN(c2ccc(F)cc2)CC1 6756570 CEQLWFVAUNPDMI-UHFFFAOYSA-N 358.398 1.858 0 50 FDAA CN1CCC2(CC1)CN(C(=O)c1cnc(-c3ccccc3)nc1)CCN2C 67514441 HYUGZTHHEXTLFM-UHFFFAOYSA-N 365.481 1.996 0 50 FDAA Cc1cccc(CN2CCC[C@](O)(CNCCN3CCCCC3)C2=O)c1 67965616 KPTYCDLPXNOOGV-NRFANRHFSA-N 359.514 1.924 0 50 FDAA O=C(NCc1cccnc1N1CCOCC1)c1ccccc1-n1cncn1 67771363 PJLXPIRANBKVPV-UHFFFAOYSA-N 364.409 1.429 0 50 FDAA COC[C@H](Cc1ccccc1)N[C@H]1CCCN(c2nccn(C)c2=O)C1 328630233 JERGOIUZVGCNCV-ROUUACIJSA-N 356.470 1.596 0 50 FDAA COCCN1C[C@H](C(=O)N(C)CCCn2nc(C)cc2C)CCC1=O 12002937 JTJDBGXGBQJZOR-MRXNPFEDSA-N 350.463 1.233 0 50 FDAA Nc1nc(N2CCOCC2)cc(N2CCN(CCc3ccccc3)CC2)n1 65459128 TVELNHAPNQMXKW-UHFFFAOYSA-N 368.485 1.260 0 50 FDAA O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 217422483 OOLVASFBVSRBNH-NHYWBVRUSA-N 364.423 1.105 0 50 FDAA CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1nc(-c2ccccc2)[nH]c1C 77460052 IHAPRCQUGHJBNV-HOTGVXAUSA-N 369.469 1.795 0 50 FDAA Cc1cc(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)c(C)n1C1CC1 364639100 ZSOFLVWSCMABSS-AEFFLSMTSA-N 355.442 1.923 0 50 FDAA COc1cc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)cc(C)n1 331705717 HMVCLBOVDYFJHL-KBXCAEBGSA-N 357.458 1.945 0 50 FDAA CC(C)c1nn(C)cc1NC(=O)N1CC[C@H](Nc2ccc3nccn3n2)C1 333287636 QSYRCVHPZRYIEL-ZDUSSCGKSA-N 368.445 2.305 0 50 FDAA Cc1ccc([C@H](CNC(=O)c2cnc3n2CCCC3)N2CCOCC2)o1 371009790 OBUFFSIOQNOGNJ-HNNXBMFYSA-N 358.442 1.924 0 50 FDAA Cc1oc(-c2ccccc2F)nc1C(=O)NS(=O)(=O)C[C@H]1CCOC1 157911009 YVPOUOFBHANTQM-NSHDSACASA-N 368.386 1.885 0 50 FDAA COC[C@H]1CCCCN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)C1 375142366 RYUSSFKMBQZYFQ-HNNXBMFYSA-N 359.426 1.627 0 50 FDAA O=C(C1=NN(CCO)C(=O)CC1)N1CCC[C@]2(C1)OCc1ccccc12 375401857 IAFGZVQBSRBSFM-LJQANCHMSA-N 357.410 1.005 0 50 FDAA Cn1ccc2cccc(NC(=O)C(=O)N3CCC[C@@H](c4nc[nH]n4)C3)c21 375510599 YPAVDLALDXHINX-CYBMUJFWSA-N 352.398 1.641 0 50 FDAA CCc1cc(CC)nc(N2CCC(S(=O)(=O)N3CCCC3)CC2)n1 376431264 ZEIGMVAOEJPOOH-UHFFFAOYSA-N 352.504 1.996 0 50 FDAA O=S1(=O)CC[C@H](CNc2nc(-c3ccncc3)nc3c2CCNCC3)C1 72440713 VQUBKTOJUQHVRL-CYBMUJFWSA-N 373.482 1.073 0 50 FDAA O=C1NCCN(Cc2c(F)cccc2Cl)[C@H]1CC(=O)N1CCOCC1 72163210 BSVXPUPYCQPTSC-HNNXBMFYSA-N 369.824 1.028 0 50 FDAA C[C@H](Cn1cccn1)C(=O)N1CCc2c(nc(-c3ccccc3)[nH]c2=O)C1 72169989 BQRXRAMMLXGGAC-CQSZACIVSA-N 363.421 1.854 0 50 FDAA CC(=O)c1ccc(C(=O)N2CCOC[C@@](O)(CN3CCCC3)C2)s1 77538284 FLQZJGOIFMTTCT-QGZVFWFLSA-N 352.456 1.250 0 50 FDAA CN(C)S(=O)(=O)CCCN1CCC2(CC1)c1ccccc1C[C@@H]2O 72157456 UGUSUNMTRNLFEO-KRWDZBQOSA-N 352.500 1.219 0 50 FDAA O=C(CCn1cnc2ccccc21)N1CCOC[C@](O)(CN2CCCC2)C1 77425760 XRTILUSNNMAXQU-FQEVSTJZSA-N 372.469 1.112 0 50 FDAA COc1cccc(N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2=O)c1 20452724 NLYHVCNIHMHDBM-GOSISDBHSA-N 368.389 1.710 0 50 FDAA CC(C)(Oc1ccc2c(c1)CCC2)C(=O)N1CC[C@@]2(CC(=O)NC2=O)C1 82108413 JKGPSIAIHJJQSV-HXUWFJFHSA-N 356.422 1.598 0 50 FDAA CCC(=O)NCc1cc2n(n1)CCN(C(=O)c1ccc(NC(C)=O)cc1)C2 426399267 RMXRQOIMPNPSTP-UHFFFAOYSA-N 369.425 1.524 0 50 FDAA Cc1cc(C)c2c(C(=O)N3CC[C@H](CS(N)(=O)=O)C3)cc(C)nc2c1 426555672 RMQQGZJOVLORSR-AWEZNQCLSA-N 361.467 1.911 0 50 FDAA O=C(CCn1cnnn1)N1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1 91587475 ZKXUNORTZHPCCC-GOSISDBHSA-N 360.462 1.237 0 50 FDAA COCC(=O)N1CCCN(C(=O)c2c[nH]nc2-c2cccc(OC)c2)CC1 91680386 NBGJKMUVWNZGAB-UHFFFAOYSA-N 372.425 1.406 0 50 FDAA C[C@H](NS(=O)(=O)c1ccc(OCc2ncnn2C)cc1)c1ccncc1 162710953 WWMFJEPWWAOQKG-ZDUSSCGKSA-N 373.438 1.829 0 50 FDAA O=C(c1c[nH]c(=O)cn1)N1CCC[C@H](c2nccn2Cc2cscn2)C1 95367091 FXVOKFLWNLCWET-LBPRGKRZSA-N 370.438 1.491 0 50 FDAA O=C(CCn1ccccc1=O)N1CCC(C(=O)O)(c2ccccc2)CC1 238002806 LFCYZIRLDZFHPS-UHFFFAOYSA-N 354.406 1.883 0 50 FDAA Cc1cc(F)ccc1C(=O)N1C[C@@H]2CC[C@H](C1)N(CC(=O)N(C)C)C2=O 91680480 RMZCNYXFPZAMSO-DZGCQCFKSA-N 361.417 1.285 0 50 FDAA Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Cn1nccc1C)C2 95527425 DVXWXGNYYOMMAV-JKSUJKDBSA-N 371.441 1.446 0 50 FDAA O=C(c1cnco1)N1CCC[C@@H](CNS(=O)(=O)c2cccs2)C1 95504684 ZUDJHVUHASSRRN-NSHDSACASA-N 355.441 1.567 0 50 FDAA CC[C@@H](NC(=O)c1cccc(S(=O)(=O)NCCF)c1)c1cnn(C)c1 97492549 DOUJEYFAFVOOJI-OAHLLOKOSA-N 368.434 1.549 0 50 FDAA CN1CCN(C(=O)N2CCC[C@H](c3nccn3Cc3ccccn3)C2)CC1 91693779 BQXKQNXFAAOGBB-KRWDZBQOSA-N 368.485 1.873 0 50 FDAA Cc1cnc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3=O)cn1 91451983 NAFMKYKWYVXPSZ-GOEBONIOSA-N 351.410 1.443 0 50 FDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cccn1C)CC2 91780726 YLNUEWHTMBAQPK-UHFFFAOYSA-N 355.442 1.674 0 50 FDAA Cc1cnn(CCC(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)c1 95363678 QROLOSOFRFLDKL-QGZVFWFLSA-N 358.490 1.746 0 50 FDAA CNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCOc3ccccc3C2)c1 95379515 HUPSTRRRERIAFW-AWEZNQCLSA-N 374.462 1.966 0 50 FDAA CN(Cc1n[nH]c2c1CCC2)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 95503992 NEZTWLIIJSKDFM-ZDUSSCGKSA-N 353.426 1.301 0 50 FDAA CN(Cc1ccccc1)C(=O)C1CCN(CC(=O)Nc2ccn(C)n2)CC1 244842359 UPIAZBGSKOXSPB-UHFFFAOYSA-N 369.469 1.729 0 50 FDAA O=C1NC[C@@H](O)Cn2nc(C(=O)N(Cc3ccccc3)C3CCCC3)cc21 243885582 AALRZJAZKYDWHJ-MRXNPFEDSA-N 368.437 1.572 0 50 FDAA CN(Cc1cnc2ccccc2n1)C(=O)c1cn([C@H]2CC[C@@H](N)CC2)nn1 244691564 JFBFUJZTPFLTKE-OTVXOJSOSA-N 365.441 1.936 0 50 FDAA CSc1nn2c(=O)cc(CN(C)Cc3snnc3C)nc2s1 244659402 HBWPVRCJGLMIQU-UHFFFAOYSA-N 354.486 1.665 0 50 FDAA O=C(O)CN(C(=O)[C@H]1COc2ccc(Cl)cc2C1)C1CCOCC1 299746886 BOFISMWLKOOEKY-GFCCVEGCSA-N 353.802 1.983 0 50 FDAA COCCN1C(=O)N[C@@H]2CN(C(=O)c3c(C)oc4ccccc34)CC[C@@H]21 299743970 MZZVMSRLSWIPML-CABCVRRESA-N 357.410 1.996 0 50 FDAA O=C([C@@H]1C[C@@H](F)CN1Cc1nc(-c2ccoc2)no1)N1CCOCC1 299742848 IWBDGVVHPIZYCI-OLZOCXBDSA-N 350.350 1.101 0 50 FDAA COC(=O)c1cnc(O)c([C@H](CC(N)=O)c2ccc3c(c2)OCCO3)c1O 253623738 JHBPMIFMASBHIZ-SNVBAGLBSA-N 374.349 1.058 0 50 FDAA biogenic C[C@H](C(F)(F)F)S(=O)(=O)N(C)c1ccc(N2CCOCC2)nc1 184882121 SOPDVYHATXZFFO-SNVBAGLBSA-N 353.366 1.635 0 50 FDAA CCn1cncc1CNC(=O)c1cccc(-c2cnn(CCC(N)=O)c2)c1 534671568 ULXNKTVJHFOWBQ-UHFFFAOYSA-N 366.425 1.572 0 50 FDAA CCn1nc(CO)c2c1CCN(c1cc([C@H]3CCOC3)nc(NC)n1)C2 299778573 QQUHOHIBQFKCLV-LBPRGKRZSA-N 358.446 1.294 0 50 FDAA CS(=O)(=O)c1cccc(C(=O)N2CCC3(CCNC(=O)CC3)CC2)c1 67740873 PVTHZGGXSMHNBD-UHFFFAOYSA-N 364.467 1.613 0 50 FDAA CN(C)C(=O)CN1CC[C@@H](Nc2ccnc3cc(Cl)ccc23)[C@H](O)C1 299770871 RSKFMKIIHWVZMH-NVXWUHKLSA-N 362.861 1.824 0 50 FDAA O=C(COc1ccc2nncn2n1)N1CCC2(CC1)CNc1ccccc12 299800474 SOSDNEPKOFHJBX-UHFFFAOYSA-N 364.409 1.489 0 50 FDAA CN1C(=O)N(C)C2(CCN([C@H]3CCN(c4ccc(F)cc4)C3)CC2)C1=O 670454097 XRZMZZLXDSUKLI-INIZCTEOSA-N 360.433 1.763 0 50 FDAA C[C@]1(c2ccc(F)c(F)c2)C[C@@H]1C(=O)NC1CC(NS(C)(=O)=O)C1 1875252664 VIFFUGZXZFJYQF-CUJYKCCASA-N 358.410 1.439 0 50 FDAA NC[C@H]1C[C@@H](O)CN1c1cc(NCCc2ccc3c(c2)COCC3)ncn1 1875397074 JZKPTDBVDQJNKN-QZTJIDSGSA-N 369.469 1.102 0 50 FDAA C=CC(=O)N1CCC(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)CC1 1875365396 WPZUCMKZQMADHU-GOSISDBHSA-N 369.465 1.671 0 50 FDAA O=S(=O)(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)[C@H]2CC23CCC3)C1 1875397237 REGRYXGILSHYNP-HOTGVXAUSA-N 369.508 1.948 0 50 FDAA CC(C)(C)c1ocnc1CS(=O)(=O)NCCc1nc(C2CC2)no1 1875345859 LANQIUVOVIGFGQ-UHFFFAOYSA-N 354.432 1.895 0 50 FDAA O=C(Cc1cnco1)N1CC[C@]2(CO[C@H](CNC(=O)C34CC(C3)C4)C2)C1 1875408097 ODSFVUIOCPQTNE-OZGNBKOKSA-N 359.426 1.141 0 50 FDAA Cc1cc(CN(C)C(=O)c2nc(C)c(C)c(N3CC[C@@H](N(C)C)C3)n2)no1 1875401277 HVNPMWPXTGFEMG-MRXNPFEDSA-N 372.473 1.802 0 50 FDAA O=C1CCCN1CCCC(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 952975034 GMEHSMRBSUWFAO-OAHLLOKOSA-N 355.442 1.838 0 50 FDAA CCOc1ccccc1CCC(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 888094188 DRBCCXMXYXGXKS-FUHWJXTLSA-N 359.426 1.714 0 50 FDAA Cc1cc(C(=O)N[C@H]2CCN(C(=O)c3cccc(N(C)C)c3)C[C@@H]2O)no1 1565527344 VCVZYNGYTVEMJD-RDJZCZTQSA-N 372.425 1.054 0 50 FDAA Cn1ccc2cc(CN3CC[C@H](NC(=O)c4ccccn4)[C@@H](O)C3)ccc21 1565516808 XIZPYYIVGOYHJU-PXNSSMCTSA-N 364.449 1.939 0 50 FDAA Cc1cc(C)n(-c2cncc(N[C@H]3CCCN(c4ccnn4C)C3=O)n2)n1 170611246 QGBCHHRGQFVGQC-AWEZNQCLSA-N 366.429 1.620 0 50 FDAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1075988485 DGDHDAKMQNPMHV-SJORKVTESA-N 350.382 1.654 0 50 FDAA COc1ccc(N2C[C@@H](C(=O)N(C)C[C@H](C)C(=O)O)CC2=O)c(OC)c1 281355267 OYFLYDKSFDTMJR-RYUDHWBXSA-N 364.398 1.236 0 50 FDAA CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)/C=C/c1ccnn1C 188166780 MWRPWQZFJZHRSK-NDDJGDGRSA-N 354.454 1.529 0 50 FDAA CC(C)c1nnc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)n1C 194647377 AMYVBQOXPMUXPZ-SFHVURJKSA-N 355.398 1.668 0 50 FDAA Cc1ncnc(N2CCN(Cc3cnc4c(C(=O)O)cnn4c3)CC2)c1C 1506430790 CBTCBHPTEMVDAV-UHFFFAOYSA-N 367.413 1.157 0 50 FDAA Cc1ccc2nc(C(=O)N3C[C@H]4CCN(C)C[C@@]4(C(=O)O)C3)c(F)n2c1 1616105451 LYFOJRPXZCBAFS-KZULUSFZSA-N 360.389 1.260 0 50 FDAA CN1C[C@H](CN2CCN(c3nnc(C(F)(F)F)s3)CC2)CCC1=O 1775979462 VPZRNVGRQWLJGS-SNVBAGLBSA-N 363.409 1.547 0 50 FDAA CCN(CC)CCNC(=O)CCc1nnc(Cc2ccc3c(c2)OCO3)o1 11816472 XBMZDLMTUJJOEV-UHFFFAOYSA-N 374.441 1.780 0 50 FDAA CCc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 12374037 HXDPGCPFZKDDBU-GFCCVEGCSA-N 353.426 1.784 0 50 FDAA O=C(c1n[nH]c(=O)c2ccccc12)N1CCO[C@@H](COc2ccccc2)C1 12376775 PJHJPYKFCHRNJH-OAHLLOKOSA-N 365.389 1.843 0 50 FDAA CN1C(=O)[C@H]2CN(Cc3ccccc3)CCN2C(=O)[C@@H]1Cc1ccccc1 14535216 UXDFSHDFKCEWTM-VQTJNVASSA-N 363.461 1.783 0 50 FDAA CNC(=O)Cc1nc(-c2scc3c2CCCC3)n(-c2ccnn2C)n1 1857667098 KIKSTCYZLKWPHM-UHFFFAOYSA-N 356.455 1.897 0 50 FDAA Cc1c(CN2C[C@@H]3CCOC[C@]3(C(=O)O)C2)c(=O)n(-c2ccccc2)n1C 1857669769 CITRCOJLDFZHOG-MGPUTAFESA-N 371.437 1.408 0 50 FDAA Cc1cc(CN2C[C@@H](C(=O)O)C3(CCN(CC(=O)O)CC3)C2)ccc1F 1857684728 AVQDPAXIZZIAKX-HNNXBMFYSA-N 364.417 1.817 0 50 FDAA COCc1noc(Cn2ccnc2-c2cc3ccccc3n(C)c2=O)n1 1857685856 XOHJTJNCTSRHGM-UHFFFAOYSA-N 351.366 1.980 0 50 FDAA CNC(=O)c1ccc(N2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)nn1 1857720734 HKLMLCAGMQRWCZ-KDOFPFPSSA-N 363.421 1.424 0 50 FDAA CC(C)c1cc(C(=O)N2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)n(C)n1 1857721270 HPJNBDMQGOVSBM-FCEWJHQRSA-N 360.458 1.741 0 50 FDAA Cc1ncc(C(=O)NC[C@H]2[C@H]3CN(C4CCOCC4)C[C@]34CC[C@H]2O4)[nH]1 1857721748 DJLXVVQQEQVRDI-BUIAKZPTSA-N 360.458 1.106 0 50 FDAA Cc1ncc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)c(O)n1 1857726000 DSYDYEPNKHRVNO-HLLBOEOZSA-N 354.410 1.435 0 50 FDAA O=C(c1ncccc1O)N1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1857740463 OPWHHLFYLCBKCJ-RDJZCZTQSA-N 367.405 1.429 0 50 FDAA CC(C)CS(=O)(=O)NC[C@H]1[C@H]2CN(c3ccccn3)C[C@]23CC[C@H]1O3 1875240886 JZSLPIDEIPXTTF-BVIKNXMNSA-N 365.499 1.641 0 50 FDAA N=c1cc(C(=O)N2CCC3(CC2)C[C@@H](O)C[C@H](c2ccccc2)O3)[nH][nH]1 1875247654 NRPXUIOHLPEDII-GOEBONIOSA-N 356.426 1.710 0 50 FDAA C[C@H]1CN(C(=O)COc2ccc3ccc(=O)oc3c2)C[C@@]2(CCCOC2)O1 225470940 PONIKXQLINARDP-VBKZILBWSA-N 373.405 1.968 0 50 FDAA CNS(=O)(=O)C[C@H]1CCCN1C(=O)C[C@@H](C)c1ccc(F)cc1F 330399113 IFCDTYNNLQDPLL-DGCLKSJQSA-N 360.426 1.999 0 50 FDAA CN[C@@H]1CCCN(C(=O)c2nn(-c3ccc(OCCOC)cc3)nc2C)C1 132927483 UITMRBDUQBFCJZ-OAHLLOKOSA-N 373.457 1.425 0 50 FDAA O=C(O)[C@@H]1CN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CCO1 262950941 IRVZQXQJBBIWPI-AWEZNQCLSA-N 366.320 1.864 0 50 FDAA O=C(O)[C@@H]1C[C@H]2CC[C@H]1N2S(=O)(=O)CCc1ccc2c(c1)CCO2 263483880 LUFGKXVIHRABMJ-RBSFLKMASA-N 351.424 1.431 0 50 FDAA CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cccc3[nH]ncc23)C1 942078736 SOQDIUDPYSJGHR-MRRJBJDNSA-N 356.426 1.709 0 50 FDAA Cc1cc(C(=O)N(C[C@H]2CCC(=O)N2)C(C)C)c(C)n1-c1ccn(C)n1 857722652 PLBLODDHNFBQQM-OAHLLOKOSA-N 357.458 1.957 0 50 FDAA Cc1oc(-c2ccccc2)nc1CC(=O)N1CCO[C@@H](c2nnnn2C)C1 2100483054 OVRVOYXWMJMEGF-OAHLLOKOSA-N 368.397 1.316 0 50 FDAA COC(=O)c1cnn2ccnc(N3CCN(c4ccncc4)[C@@H](C)C3)c12 2325802420 GQGNXIZUNSAURZ-ZDUSSCGKSA-N 352.398 1.626 0 50 FDAA COCC1(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)COC1 2325811589 AGCWMGSNJZRMRJ-CYBMUJFWSA-N 352.818 1.615 0 50 FDAA O=C(NCC1CC1)[C@@H]1CCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1 2325818418 OBJBNHGSYSCUJL-KRWDZBQOSA-N 374.466 1.552 0 50 FDAA CC1CCN(S(=O)(=O)c2cccc(C(=O)NC(C)(C)CO)c2)CC1 2850384 YQDZYSCARAUCRD-UHFFFAOYSA-N 354.472 1.608 0 50 FDAA O=C1C[C@@H](C(=O)N2CCc3nc(C4CC4)nn3CC2)c2ccc(F)cc2N1 2356163649 MGYAMUQWNIDMKV-CQSZACIVSA-N 369.400 1.805 0 50 FDAA O=C1N(CCc2ccccc2)CCC[C@]12CCCN2C(=O)[C@H]1C[C@@H](O)C1 2356169568 VCHBOOAFVWVDCL-UEXGIBASSA-N 356.466 1.984 0 50 FDAA O=C(O)c1cccnc1CN(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 65454696 DJICPLSJYAEVSE-HNNXBMFYSA-N 360.435 1.969 0 50 FDAA CCN(CC)C(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1 67621904 CTZWBLVKHKICOQ-UHFFFAOYSA-N 353.488 1.246 0 50 FDAA Cc1ccc([C@@H](C(=O)N2CCC(O)(Cn3ccnc3)CC2)N(C)C)cc1 65532696 WCOSSCITFUTKIT-SFHVURJKSA-N 356.470 1.848 0 50 FDAA CCOc1ccccc1CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 137226266 LFGSQQWVIYDZHF-QGZVFWFLSA-N 374.485 1.533 0 50 FDAA COc1ccc(-c2nc(CN(C)C[C@H](O)CO)c(C)o2)c(OC)c1C 67690672 SGXVIBORCIVNQH-ZDUSSCGKSA-N 350.415 1.761 0 50 FDAA C[C@H]1C[C@@H](C)CN(S(=O)(=O)Nc2ccc(-n3nnnc3O)cc2)C1 443406925 GNKALNIQHWNYMS-PHIMTYICSA-N 352.420 1.003 0 50 FDAA Cc1c(F)cc(C(=O)O)cc1S(=O)(=O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 333936382 KIWDXIBBPVJUOK-HBJVGIJOSA-N 353.371 1.406 0 50 FDAA CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)COC2CCCCC2)cn1 328628114 NICHYNMDVFOIAO-MRXNPFEDSA-N 369.487 1.550 0 50 FDAA CC(C)c1nnc([C@H]2COCCN2C(=O)CN(C)[C@@H]2CCSC2)o1 328612752 PSCGCBARNQWVCS-CHWSQXEVSA-N 354.476 1.530 0 50 FDAA O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1Cn1cncn1 173854212 DATXCCZNFNMWMX-MRXNPFEDSA-N 361.405 1.862 0 50 FDAA Cn1cc(CCC(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(=O)O)cc2)cn1 218211381 KRXFUYIMAOONBB-IAGOWNOFSA-N 373.409 1.404 0 50 FDAA Cc1nccn1CC(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 333977762 ZIWQGZGZLCSARO-LSDHHAIUSA-N 354.410 1.227 0 50 FDAA Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)[C@@H](C)S(C)(=O)=O)C2)n1 330578453 HMALVZLRCKSALV-CHWSQXEVSA-N 353.444 1.000 0 50 FDAA C[C@H](O)CCNS(=O)(=O)c1ccc2c(c1)CCN(C(=O)C(C)(C)C)C2 77321963 CZNFQCAJMDPGJH-ZDUSSCGKSA-N 368.499 1.667 0 50 FDAA COCc1cc(N2CCC[C@@H](C(=O)c3nccn3C)C2)n2nccc2n1 72447635 NFTUTBUHFZMKJK-CYBMUJFWSA-N 354.414 1.709 0 50 FDAA COc1ccc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)c(C)c1 77323417 ZRLZBFGATYFQLC-FQEVSTJZSA-N 360.454 1.841 0 50 FDAA CC1(C)CN(CCN[C@@H]2CCS(=O)(=O)c3ccc(F)cc32)CCO1 369019964 SOQVQONGYSAPBJ-OAHLLOKOSA-N 356.463 1.745 0 50 FDAA COC(=O)N1CCCC[C@H]1C(=O)NCCn1ncc2ccccc2c1=O 219660341 YRMPQVLOAWGZEE-HNNXBMFYSA-N 358.398 1.134 0 50 FDAA Cc1cnc(CNc2ncc(S(C)(=O)=O)c([C@H]3CCCNC3)n2)cn1 72431451 CDHSACRNZMITSL-LBPRGKRZSA-N 362.459 1.058 0 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359.470 1.120 0 50 FDAA Cc1nc(C)c(CC(=O)N2CCC(OCc3cccnc3)CC2)c(=O)[nH]1 77406568 KDLCRMQABSDEJF-UHFFFAOYSA-N 356.426 1.532 0 50 FDAA Cc1nc2c(c(N3CCC4(CC3)Nc3ccccc3NC4=O)n1)CCNC2 71750450 XIFYCXQPZXRJIX-UHFFFAOYSA-N 364.453 1.834 0 50 FDAA O=C1CCCN1CC1CCN(C(=O)c2ccc(N[C@H]3CCNC3)nc2)CC1 71552215 IOFTZBQQMDQPML-KRWDZBQOSA-N 371.485 1.330 0 50 FDAA COCCN(C)CCN1CC2(CCN([C@@H]3CCSC3)CC2)OC1=O 72418118 YTJNBCGAIVIVKV-OAHLLOKOSA-N 357.520 1.357 0 50 FDAA Cn1c(CCC(=O)N2CCC[C@@]3(CC2)CNC(=O)O3)nc2cccnc21 72148549 ZKHGMMKPSGOVDB-GOSISDBHSA-N 357.414 1.392 0 50 FDAA CN(C[C@@H]1CCCN(C(=O)c2noc3c2CCCC3)C1)S(C)(=O)=O 286558913 ZZEXASNQWBICNU-LBPRGKRZSA-N 355.460 1.297 0 50 FDAA CCCn1ncc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1C1CC1 133269681 NEUQNJHHJZDUTJ-QGZVFWFLSA-N 373.501 1.725 0 50 FDAA O=C1CCCN1Cc1ccccc1CNS(=O)(=O)NCc1ccccc1 72148702 BQGXZFLXWJIOLF-UHFFFAOYSA-N 373.478 1.933 0 50 FDAA CN(CCC(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1)S(C)(=O)=O 82086979 DOVTYHPGMFVUSV-CQSZACIVSA-N 372.462 1.725 0 50 FDAA Cc1cc(C)n(-c2ccc(C(=O)N3CCN(C)C4(CCNCC4)C3)cc2)n1 82161387 FOUBALOAXBJVFX-UHFFFAOYSA-N 367.497 1.999 0 50 FDAA CC(=O)NCc1cc2n(n1)CCN(Cc1ccc(-n3ccnc3)cc1)C2 82098351 NRASCMOSZUJLAE-UHFFFAOYSA-N 350.426 1.721 0 50 FDAA O=C([C@@H]1C[C@@H](O)CN1)N1CCN(c2ccccc2-c2ccccc2)C(=O)C1 82107798 UGZCAZLIBVYETA-AEFFLSMTSA-N 365.433 1.252 0 50 FDAA Cc1nccn1Cc1nnc([C@H]2CCCN(S(=O)(=O)C3CC3)C2)n1C 95373159 FZKRYLSDOLVICR-ZDUSSCGKSA-N 364.475 1.040 0 50 FDAA CN1Cc2ccc(CN(C)C(=O)NCCN3CCCC[C@H]3CO)cc2C1 426359581 HIZIMQWVLKXCMS-IBGZPJMESA-N 360.502 1.620 0 50 FDAA Cc1noc([C@H]2CCCCN2C(=O)CN2CCN(c3ncccn3)CC2)n1 95354340 MXFNPJIKZJYIQB-OAHLLOKOSA-N 371.445 1.044 0 50 FDAA C[C@H](NC(=O)c1ccc(N2CC(=O)NC2=O)cc1)[C@H](O)c1ccccc1 97553319 UAUQAUCMBAWMIZ-SJCJKPOMSA-N 353.378 1.595 0 50 FDAA Cc1c(F)cccc1CN1CCn2nc([C@H](O)CS(C)(=O)=O)cc2C1 230470077 MHRUOCDMHGCWGY-QGZVFWFLSA-N 367.446 1.424 0 50 FDAA CCn1cc(C(=O)N2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)cn1 95391323 GLZMSSXRPVQFCM-AWEZNQCLSA-N 368.445 1.296 0 50 FDAA COCCN1CCC(C(=O)N2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)CC1 95505929 IGDMBJYAXSAUPE-WIYYLYMNSA-N 374.481 1.342 0 50 FDAA O=C1CC[C@@]2(CCCN(C(=O)c3ncn[nH]3)C2)CN1Cc1ccncc1 91486567 ZOPSGUXLTYVLBR-GOSISDBHSA-N 354.414 1.245 0 50 FDAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)[C@H](C)N2CCOCC2)C3)cc1 96161496 XKILBTKZXHKQNT-AWEZNQCLSA-N 370.453 1.691 0 50 FDAA Cc1ccc2nc(CN3C[C@@H]4CC[C@H](C3)N(CC(=O)N(C)C)C4=O)cn2c1 91943793 QYODYPPLOACUGK-DOTOQJQBSA-N 369.469 1.154 0 50 FDAA CCNC(=O)c1ccc(N2CCC3(CCC(=O)N(CCOC)C3)CC2)nc1 91746642 WKALJCADNMCQFP-UHFFFAOYSA-N 374.485 1.687 0 50 FDAA CCn1cc(CNC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cn1 91985441 GJXVHONKLZLUCX-UHFFFAOYSA-N 364.471 1.910 0 50 FDAA CN(C)C(=O)N1CCC[C@H](C(=O)N2CCC(O)(Cc3ccccc3)CC2)C1 95368802 NAYTZMNWOLQPQY-SFHVURJKSA-N 373.497 1.976 0 50 FDAA COCC(=O)Nc1cccc(NC(=O)N[C@]2(C)CCS(=O)(=O)C2)c1C 96180233 JKGKUZKNOYINAO-MRXNPFEDSA-N 369.443 1.279 0 50 FDAA C[C@@H](NC(=O)C1CCN(C(=O)N(C)C)CC1)c1nc(-c2ccncc2)no1 244723950 MKTYGHASVVMMLD-GFCCVEGCSA-N 372.429 1.702 0 50 FDAA O=C(NCCOc1cccc2cccnc12)N1CCN2C(=O)OC[C@H]2C1 534670134 ZIUKCSVIPVAMLL-CQSZACIVSA-N 356.382 1.460 0 50 FDAA Cc1ccc(OCC(=O)N[C@@H]2CCN(Cc3cscn3)C[C@H]2O)cc1 299790083 BOIKIPXSXADLFM-IAGOWNOFSA-N 361.467 1.582 0 50 FDAA Cc1nn(CCC(N)=O)c(C)c1-c1cccc(C(=O)NCC2(C)COC2)c1 299799490 RNZPAIBDXQMBAD-UHFFFAOYSA-N 370.453 1.809 0 50 FDAA O=C(c1ccc(N2CCOCC2)cc1)N1CC[C@H]2[C@H](C1)OCc1cnnn12 299801358 WKOISAXCGBVCMA-ROUUACIJSA-N 369.425 1.101 0 50 FDAA CC(C)n1cnnc1[C@@H](C)NC(=O)CCS(=O)(=O)c1ccccc1 299802681 VQOSBGBOPGXPII-CYBMUJFWSA-N 350.444 1.900 0 50 FDAA CS(=O)(=O)N1CCOC2(CCN(C(=O)Cc3ccc(F)cc3)CC2)C1 827921444 YNKZTEYSPHPLSQ-UHFFFAOYSA-N 370.446 1.021 0 50 FDAA Cc1nnsc1C(=O)N1CCC2(CC1)CN(C[C@@H]1CCOC1)CCO2 828234685 DFXYEKIEHIOMTB-AWEZNQCLSA-N 366.487 1.190 0 50 FDAA Cc1cnn([C@@H](C)C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)c1 827654742 CHDQNRXDWJSOMM-AQKMWONCSA-N 355.446 1.603 0 50 FDAA CC(C)c1nc(CCN(C)C(=O)NCc2cccnc2-n2cncn2)no1 584899194 SVNOKJKVWPQQKT-UHFFFAOYSA-N 370.417 1.553 0 50 FDAA Cc1conc1CC(=O)NC[C@H]1CCCN1C(=O)[C@@H](C)c1cnn(C)c1 1875331780 CJVYATHMSISQKJ-DZGCQCFKSA-N 359.430 1.170 0 50 FDAA COC(=O)/C=C/C(=O)N[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 1875379092 MGZXCBBTYQLFFB-ABZNLYFFSA-N 352.412 1.133 0 50 FDAA C[C@H]1Cc2n[nH]cc2CN(C(=O)c2cc(N3CCC(O)CC3)ccn2)C1 1875349839 OZGPQVCPQSGTLK-ZDUSSCGKSA-N 355.442 1.600 0 50 FDAA Cc1nc(C(=O)N(C)Cc2cnccn2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875301099 DNGGYGNYLQHTGD-MRXNPFEDSA-N 369.473 1.296 0 50 FDAA Cc1ccccc1OC[C@@H](O)C(=O)NCCN1CCc2ccccc2C1 952991316 NOBSNTPHTPBVHX-LJQANCHMSA-N 354.450 1.909 0 50 FDAA Cc1ccc(C(=O)N2CCC[C@@](O)(Cc3nncn3C)C2)c(C(C)C)n1 886095424 VXNAXPZXWSXOLG-LJQANCHMSA-N 357.458 1.852 0 50 FDAA CN1[C@H]2CC[C@@H]1CCN(C(=O)CCCn1cnc3ccccc3c1=O)C2 1565515656 BUTLUWZDDHRSBN-CVEARBPZSA-N 354.454 1.872 0 50 FDAA CC(C)[C@H]1CN(C(=O)c2cc(=O)c3ccccc3[nH]2)C[C@@H]1NC(=O)N(C)C 1565530698 HWFAVYPTAYDWGD-PBHICJAKSA-N 370.453 1.896 0 50 FDAA COc1ccc(F)cc1CC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 186640641 NICHBYBRXMMNCO-AWEZNQCLSA-N 360.389 1.422 0 50 FDAA CN(C)CCCOc1ccc(CN2CC[C@@H]3OCc4cnnn4[C@@H]3C2)cc1 1076059435 IUFROPIEIYNJKF-UXHICEINSA-N 371.485 1.954 0 50 FDAA CCC(CC)N1C[C@H](C(=O)NCc2cccnc2-n2ccnc2)CC1=O 192507997 KUKDHZSDQJEIKQ-OAHLLOKOSA-N 355.442 1.921 0 50 FDAA Cc1ccc(S(=O)(=O)NCCCNc2nc(C)cc(C(=O)O)n2)cc1 1506428444 XGIZVESAQFHKBX-UHFFFAOYSA-N 364.427 1.572 0 50 FDAA CO[C@H](C)c1nnc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)s1 1506415485 OUTQUEXASZQKMF-SECBINFHSA-N 370.456 1.894 0 50 FDAA CCCC[C@H]1C(=O)N(C)CCN1S(=O)(=O)c1ccc(O)c(C(=O)O)c1 1506404215 GMVCSWSOSPLKEV-ZDUSSCGKSA-N 370.427 1.112 0 50 FDAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc(-n4ccnc4)cc3)C[C@@H]2O)n[nH]1 1529168004 VCUUCXXXSYPSKZ-QAPCUYQASA-N 351.410 1.579 0 50 FDAA CCc1noc(CNC(=O)[C@H]2OCC(=O)N(C(C)C)[C@@H]2c2ccccc2)n1 1529174825 YKBLMSTVSGWFKO-MSOLQXFVSA-N 372.425 1.625 0 50 FDAA CC(C)N1C(=O)CO[C@H](C(=O)NC2CCN(C)CC2)[C@H]1c1ccccc1 1529150976 CSAXAAFXINXGMI-MOPGFXCFSA-N 359.470 1.574 0 50 FDAA NC1CCN(C(=O)c2c(N3CCOCC3)noc2-c2ccccc2)CC1 1704355992 VIPDEFISOPLKIK-UHFFFAOYSA-N 356.426 1.742 0 50 FDAA COc1cc(-c2onc(N(C)C)c2C(=O)N2CCCNCC2)ccc1F 1704333028 VLSJAPFQWQNJGE-UHFFFAOYSA-N 362.405 1.991 0 50 FDAA CO[C@@H]1C[C@H](C(=O)NCc2ccccc2CN2CCCC2=O)CC[C@@H]1O 1704310746 RYSNVAQZQWORRD-FHLIZLRMSA-N 360.454 1.601 0 50 FDAA O=C(N[C@H]1CC[C@@H](C(=O)NC2CCOCC2)C1)c1ccc2n[nH]nc2c1 219549319 ZKSMJOYBLAGQPY-RISCZKNCSA-N 357.414 1.152 0 50 FDAA C[C@@](O)(CNc1c(Br)cccc1S(C)(=O)=O)C(=O)O 263561422 RWWYHCAATOKIND-LLVKDONJSA-N 352.206 1.100 0 50 FDAA CSCCC(=O)N[C@@H]1CCCc2nc(N3CCC(CO)CC3)ncc21 12708015 GQXDAXODTBKDOI-OAHLLOKOSA-N 364.515 1.932 0 50 FDAA CC(C)[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)cs1)C(=O)O 16625678 PZESKESUZWZLMO-GFCCVEGCSA-N 360.457 1.372 0 50 FDAA O=C1[C@H](N2CCN(c3cccnn3)CC2)CCCN1c1ccccc1F 155768425 UPLUBPLZRRWDBZ-QGZVFWFLSA-N 355.417 1.933 0 50 FDAA O=C(Cc1cnc2ccccn12)N[C@@H](Cc1ccccn1)[C@H]1C[C@H](O)C1 223557655 IRWSCGWPIFGRRV-QGTPRVQTSA-N 350.422 1.770 0 50 FDAA 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CCCC(=O)c1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1 973940 ZMEXLPVMZUHAKG-UHFFFAOYSA-N 356.382 1.746 0 50 FDAA biogenic O=C(N[C@H]1C=CS(=O)(=O)C1)c1cnc2c(cnn2Cc2ccccc2)c1 2325725441 UWLOQIDJYGJRCH-INIZCTEOSA-N 368.418 1.520 0 50 FDAA COc1ccc2[nH]c(=O)c(C(=O)N3CCNC[C@@H]3c3ccncc3)cc2c1 2325753370 AQOUXUHYCODKDK-GOSISDBHSA-N 364.405 1.718 0 50 FDAA CN1CCN(c2cccc(C(=O)NCCn3nnc4ccccc43)n2)CC1 2325786684 QKIJOGQJFQXGMG-UHFFFAOYSA-N 365.441 1.008 0 50 FDAA CCCn1cnc(C[C@H](NC(=O)C2=CNC3=NCCCC3=C2)C(=O)O)c1 2325822350 RKUUNTMWCCKPLX-HNNXBMFYSA-N 357.414 1.011 0 50 FDAA Cc1nc2ccc(CNc3cnc(C(=O)N4CC[C@H](N)C4)cn3)cc2[nH]1 2325858907 GHLUKINOBUQFDU-ZDUSSCGKSA-N 351.414 1.447 0 50 FDAA Cc1cccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)CC(=O)N4)CC2)n1 2325879624 BENJCCVYTRKBDO-UHFFFAOYSA-N 364.405 1.483 0 50 FDAA C=CC(=O)Nc1cccc(C(=O)NCCN2C[C@@H]3CCCCN3C2=O)c1 869291065 VIAYCCKJQLTWTD-INIZCTEOSA-N 356.426 1.831 0 50 FDAA COc1cccc2c1C(=O)c1ccc3c(c1[C@@H]2O)[C@H](O)[C@H](O)[C@@H](C)[C@@H]3O 2332922382 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358.442 1.831 0 50 FDAA CN(C)CCN1C[C@@H](C(=O)NCC2(c3ccc(Cl)cc3)CC2)CC1=O 95365429 AVYRLYIWLWKQOS-AWEZNQCLSA-N 363.889 1.898 0 50 FDAA O=C(CN1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2=O)NCCc1ccc(F)cc1 91725786 YRBDMNPPFGYOLC-PKOBYXMFSA-N 373.472 1.817 0 50 FDAA O=C1N(CCO)CCC[C@@]12CCN(Cc1cncn1Cc1ccccc1)C2 91849101 ZJYLWPAEDZLOHH-NRFANRHFSA-N 368.481 1.738 0 50 FDAA O=C1C[C@H](C(=O)N2CCN(CC(F)(F)F)CC2)CN1Cc1cccnc1 95512199 CWQXHDJCRNFDJC-AWEZNQCLSA-N 370.375 1.137 0 50 FDAA COC(=O)c1cncc(N2C[C@@H](N(C)C)[C@H](c3ccc(OC)cc3)C2)n1 95521757 QLWLVCVQXQBBSP-DOTOQJQBSA-N 356.426 1.806 0 50 FDAA CCOc1ccccc1CCNC(=O)[C@H]1CNC[C@@H](C(=O)N2CCCC2)C1 91707338 YYHBTOYITNZMBS-MSOLQXFVSA-N 373.497 1.592 0 50 FDAA O=C(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1cccc(O)c1 243893327 APUQYQLFGJLSTN-LVKMRUPZSA-N 363.461 1.690 0 50 FDAA COCCn1c(COc2ccc(C(=O)O)cc2C)nnc1[C@H]1C[C@@H](N)C1 244647077 GURXZENRVLONLM-OKILXGFUSA-N 360.414 1.715 0 50 FDAA CC[C@H](NC(=O)CN1CCN(c2ncccn2)CC1)c1cccc(C)n1 244724409 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1.626 0 50 FDAA COc1ccccc1N1CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1 12550225 JGFDYRRLPOFEAV-UHFFFAOYSA-N 364.409 1.633 0 50 FDAA CCN(CC)C(=O)[C@@H]1CCCN(C(=O)CC[C@@]2(CC)CCC(=O)N2)C1 19884461 ANEAFOVSTSKHQG-DNVCBOLYSA-N 351.491 1.932 0 50 FDAA O=C(Cn1cnc2ccccc21)N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 223253761 DDFLWVWNNBQRCC-ZVZYQTTQSA-N 350.422 1.930 0 50 FDAA Cc1cnn(CCC(=O)Nc2ncn(CC(=O)NCc3ccccc3)n2)c1 156499723 LOXHMBYWNCRXOI-UHFFFAOYSA-N 367.413 1.128 0 50 FDAA O=C(N[C@H]1C[C@@H](Cn2cccn2)C[C@@H]1O)c1nn2cccnc2c1Cl 1857530646 OQQBQLYOMBBMIV-WOPDTQHZSA-N 360.805 1.149 0 50 FDAA Cc1nc([C@H]2CCc3ncnn3C2)n(-c2nc(C(F)(F)F)nn2C)n1 1857673431 ITSPQZTWAMPKLH-QMMMGPOBSA-N 353.312 1.045 0 50 FDAA O=C(Cn1c(C2CC2)nc2ccccc21)N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857695827 ZMACVPGLGNLXCF-BVGQSLNGSA-N 355.438 1.912 0 50 FDAA O=S(=O)(N[C@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1)c1ccc(F)c(F)c1 1857712685 MBAMBKRAZIRZOI-MQIPJXDCSA-N 358.410 1.495 0 50 FDAA Cc1cccc(C(=O)NC[C@H]2[C@H]3CN(C(=O)C4CCC4)C[C@]34CC[C@H]2O4)n1 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C=CC(=O)N(CC)CC(=O)NCc1ccc(C)nc1-n1cc(Cl)cn1 907649444 KQDDQNFVEATXHQ-UHFFFAOYSA-N 361.833 1.880 0 50 FDAA Cc1cccc(CN2CC[C@H](NS(=O)(=O)c3cnc4cccnn34)C2)c1 2325776456 NYZBDCDHIBPDIX-INIZCTEOSA-N 371.466 1.591 0 50 FDAA Cc1ccc(Cn2c(N3CCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 625896 IYHVPWIXPDOXEB-UHFFFAOYSA-N 353.426 1.391 0 50 FDAA CC[C@@H](C)Nc1nc2c(c(=O)[nH]c(=O)n2C)n1CCOc1ccccc1 1298602 AUXOPXDJSQZIPE-GFCCVEGCSA-N 357.414 1.713 0 50 FDAA Cc1nn(CC(=O)N2CCC[C@]3(CCC[C@H]3O)C2)c(=O)c2ccccc12 2356139184 NVMCPBSSJGPBHA-YLJYHZDGSA-N 355.438 1.859 0 50 FDAA O=C(c1cncc(O)c1)N1CCC[C@]12CCCN(Cc1ccccn1)C2=O 2356148937 ASBRECINOLSFAP-FQEVSTJZSA-N 366.421 1.980 0 50 FDAA NS(=O)(=O)c1ccc(NC(=S)NC(=O)Cc2cccs2)cc1 3094459 PDHXITFZLJFBSZ-UHFFFAOYSA-N 355.466 1.451 0 50 FDAA CN1CCC[C@@]2(CCCN2S(=O)(=O)c2cc(C(=O)O)ccc2F)C1=O 2356169606 DUYRZBDCIYKKKH-MRXNPFEDSA-N 370.402 1.299 0 50 FDAA COC(=O)Cn1c(=O)c2c(nc3n(C4CCCCC4)c(C)cn23)n(C)c1=O 6786299 NQICBLPIRGHXSM-UHFFFAOYSA-N 373.413 1.136 0 50 FDAA CCCOc1ccc(N2C(=O)C[C@H](N3CCC[C@@H](C(N)=O)C3)C2=O)cc1 226705901 PKPCMZGWINLNAW-CJNGLKHVSA-N 359.426 1.305 0 50 FDAA CC(C)c1ccc(CN2CCC[C@@](O)(CN3CCN(C)CC3)C2=O)cc1 23358703 FBWASQSAAGPSNV-OAQYLSRUSA-N 359.514 1.911 0 50 FDAA CC(=O)N1CCCc2cc(S(=O)(=O)N(CC(=O)O)CC(C)C)ccc21 327355229 ADGWFHQFWJXUBW-UHFFFAOYSA-N 368.455 1.717 0 50 FDAA Cc1nc(C[C@@H]2CCCN(C(=O)c3ccc(-n4cncn4)nc3)C2)no1 328950347 LEWBIMXSPABPJH-ZDUSSCGKSA-N 353.386 1.449 0 50 FDAA CC(C)(C)CN1CCN(Cc2ccc(OCCO)cc2)C[C@H]1CCO 104383053 QYYZHQIOJFWTIX-GOSISDBHSA-N 350.503 1.972 0 50 FDAA CCOC(=O)c1ccc(NC(=O)CN2CCN(c3ncccn3)CC2)cc1 54530923 HJCMDPQSORJHLA-UHFFFAOYSA-N 369.425 1.414 0 50 FDAA COc1cccc(C(=O)N2CCN(C(=O)CCCn3cncn3)CC2)c1 54709013 FRVIKOKAVWCXFB-UHFFFAOYSA-N 357.414 1.052 0 50 FDAA CC(C)c1ccc(CN2CCC[C@](O)(CN(C)CCC(N)=O)C2=O)cc1 67920227 HCBVAMHNJFWKCA-FQEVSTJZSA-N 361.486 1.471 0 50 FDAA O=S(=O)(c1c(Cl)nc2sccn12)N1CCC2(CCNCC2)C1 67879071 AYMGIYJVSZKWTG-UHFFFAOYSA-N 360.892 1.813 0 50 FDAA O=S1(=O)CC[C@H](N2CCN(Cc3nc(-c4cccs4)no3)CC2)C1 20601400 JBUATTCVCJUWRM-LBPRGKRZSA-N 368.484 1.103 0 50 FDAA CCn1c([C@@H]2CCCN(C(=O)Cn3ccc4ccccc43)C2)nn(C)c1=O 67856570 WVMZMPNNJIKJJK-MRXNPFEDSA-N 367.453 1.963 0 50 FDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCCC3)[C@@H]4C2=O)c1 77459597 RNGRMYOUAICWGT-OOSNJVJTSA-N 368.433 1.600 0 50 FDAA Cn1cc(N2CCN(C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(F)(F)F)CC2)cn1 329812501 SBLKUSKMSWJTMS-SYQHCUMBSA-N 358.364 1.425 0 50 FDAA COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)CO)CC1 67947401 USCMFRCHENKZMT-UHFFFAOYSA-N 373.413 1.692 0 50 FDAA NS(=O)(=O)C[C@@H]1CCCN(C(=O)c2ccncc2C(F)(F)F)C1 330394121 IPKZJWLIUHQKCP-SECBINFHSA-N 351.350 1.241 0 50 FDAA CC(C)(C)c1nc(=NC(=O)N2CCC[C@H](S(C)(=O)=O)CC2)s[nH]1 331507810 SYTDIAHRTZYGHU-JTQLQIEISA-N 360.505 1.689 0 50 FDAA NS(=O)(=O)C1CCN(CCC(=O)N[C@H]2CCCc3ccccc32)CC1 331675149 PMDGHAXXUUODKF-KRWDZBQOSA-N 365.499 1.323 0 50 FDAA CCn1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)ccc1=O 332035867 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CN(C)C(=O)c1cccc(S(=O)(=O)NCc2nc3ccccc3n2C)c1 97532788 RNHLSPPYZARGPF-UHFFFAOYSA-N 372.450 1.754 0 50 FDAA CCOC(=O)c1nc[nH]c1C(=O)N1CCNC(=O)[C@@H]1c1ccc(F)cc1 97402388 OBOMPKPTQKEBRJ-AWEZNQCLSA-N 360.345 1.039 0 50 FDAA COc1ccccc1N1CCN(CCC(=O)Nc2cccnc2)CC1=O 91254737 PCJSNQWIOFQAHR-UHFFFAOYSA-N 354.410 1.768 0 50 FDAA C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc3c(c2)CCC(=O)N3)C1=O 298370889 VESINEOKWISDHY-GOSISDBHSA-N 356.382 1.230 0 50 FDAA CCS(=O)(=O)CC(=O)N[C@@H](c1cc(F)ccc1OC)[C@H]1C[C@H](O)C1 244748830 OPFPTDCTNFDOII-NSODJVPESA-N 359.419 1.197 0 50 FDAA CC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(OCCCC(=O)O)cc1 299748796 IFBAIZCLWQEFTL-OAHLLOKOSA-N 366.439 1.468 0 50 FDAA COc1ccccc1CCN1C[C@H](C(=O)NCCc2c[nH]cn2)CC1=O 253396151 AVCOEKLWXHAOEL-OAHLLOKOSA-N 356.426 1.168 0 50 FDAA biogenic CCCn1cnnc1[C@H](C)NC(=O)N1CCN(c2nccc(OC)n2)CC1 534592072 REGYPBHMCOXZTA-ZDUSSCGKSA-N 374.449 1.080 0 50 FDAA O=C(NCCn1cnnn1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 299786308 QKYXIDCLLDEHOU-UHFFFAOYSA-N 369.351 1.120 0 50 FDAA CN(Cc1nc2c(s1)CCCC2)C(=O)c1cn(C[C@H]2CCCNC2)nn1 65370185 NBJDHUGRKMCFRN-ZDUSSCGKSA-N 374.514 1.885 0 50 FDAA COc1cc([C@@H]2[C@@H]3[C@H](C)N(C)C(=O)N(C)[C@H]3N(C)C(=O)N2C)ccc1O 36383994 DBLJYIVEHBFBMD-LTTZEQNMSA-N 362.430 1.767 0 50 FDAA biogenic Cc1cc(O)nc(CCNC(=O)c2ccc(Cl)cc2OCCCN)n1 299790861 CFQSSSTWVKHAJQ-UHFFFAOYSA-N 364.833 1.844 0 50 FDAA O=C(CN1CCC(N2CCSCC2)CC1)Nc1cccc(C(=O)O)c1 299762224 MMDOELQIBDXXMI-UHFFFAOYSA-N 363.483 1.837 0 50 FDAA C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCC[C@@H]([C@H](C)N)C1 269265358 KNWCHMZITQSMKI-HZSPNIEDSA-N 356.463 1.821 0 50 FDAA CCOc1ccc(C(F)(F)F)cc1NC(=O)NCCc1n[nH]c(=O)n1C 299768211 IAARYKPUYVOFBB-UHFFFAOYSA-N 373.335 1.890 0 50 FDAA Cn1c(CO)nnc1[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCCO3)C1 670454609 LZDXOFLOSJXKLE-OAHLLOKOSA-N 356.426 1.652 0 50 FDAA O=C(O)[C@@H]1[C@H]2CCN(S(=O)(=O)c3c(Cl)nc4sccn34)C[C@H]21 871777078 MXOOIIYKCMDRTQ-XLPZGREQSA-N 361.832 1.390 0 50 FDAA CN(C[C@H]1OCC[C@H]1c1nc[nH]n1)S(=O)(=O)c1cc(F)ccc1F 952889861 NBBYVYYZNDTSHX-ZYHUDNBSSA-N 358.370 1.276 0 50 FDAA C[C@H](NC(=O)c1ccn(C)c(=O)c1)C1CN(C(=O)c2ncoc2C2CC2)C1 1875310361 NKKKKPAYSSFMPG-NSHDSACASA-N 370.409 1.141 0 50 FDAA O=C(C[C@@H]1Cc2ccccc2NC1=O)N[C@@H]1CCNC(=O)c2[nH]ccc21 1875331487 JIELYAJVIPUWKO-SWLSCSKDSA-N 352.394 1.507 0 50 FDAA C[C@@H](CN(C)c1cc(O)nc(O)n1)NC(=O)c1cc(F)cc2cc[nH]c12 1875355687 FEXBBPUWMOTIIB-VIFPVBQESA-N 359.361 1.763 0 50 FDAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1ccnc(-n2cccc2)c1 1875400776 LRAHOECIVJQGTC-USXIJHARSA-N 351.410 1.638 0 50 FDAA Cc1ncc(CN2CCC3(CC2)CN(c2ncnc4[nH]ccc24)CCO3)[nH]1 952986066 WLYDWADVOYDJSN-UHFFFAOYSA-N 367.457 1.861 0 50 FDAA CC(C)Cc1cc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(F)cc2)nc(O)n1 952969747 PAQPXGIHRCQKMX-INIZCTEOSA-N 372.400 1.833 0 50 FDAA Cc1nc(O)nc(O)c1CC(=O)N1CCC[C@H](C(=O)c2cccs2)C1 952982756 YMUJPFPZELBHKO-NSHDSACASA-N 361.423 1.922 0 50 FDAA C[C@H]1CN(Cc2ccc(-c3ccccn3)nc2)[C@H](C)CN1S(C)(=O)=O 886093914 KJVMJXWITHTRSZ-CABCVRRESA-N 360.483 1.998 0 50 FDAA C[C@H]1CN(c2cccc3cnccc23)CCN1C(=O)c1c(CN)cnn1C 1333753068 VOPPPFRPGNGIDQ-AWEZNQCLSA-N 364.453 1.778 0 50 FDAA CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2NC2CCCC2)cc1 55408856 ULWSEVKOBANOTM-IAGOWNOFSA-N 371.524 1.721 0 50 FDAA C[C@H]1CCC[C@@H](C)N1CC(=O)N[C@H]1CCN(C(=O)c2ccccn2)C[C@@H]1O 1565506768 YBNILXJNQOXPQJ-DFGXFYAUSA-N 374.485 1.036 0 50 FDAA O=C(N[C@H]1CCOC[C@@H]1OCc1ccccc1)c1cnc2cccnn12 1565505971 GVCBJMXKHYIRSP-RDJZCZTQSA-N 352.394 1.833 0 50 FDAA Cn1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)c(-c2ccc(F)cc2F)n1 408513443 JJSYGGDYNQKFFP-CYBMUJFWSA-N 351.309 1.291 0 50 FDAA CCn1c(=O)[nH]c2cc(C(=O)N3CCC([C@@H]4CCCO4)CC3)ccc2c1=O 187672918 DEAWTQUAIPXGKK-KRWDZBQOSA-N 371.437 1.741 0 50 FDAA CC(C)c1nnc2n1CCN(C(=O)c1n[nH]c(=O)c3ccccc13)[C@@H]2C 188821457 KIQSSDKQFRFROC-LLVKDONJSA-N 352.398 1.855 0 50 FDAA CCN(C)C1(CNS(=O)(=O)N2CCC[C@@H](COC)C2)CCCCC1 1506400665 FPSQJBYMWHGAIO-MRXNPFEDSA-N 361.552 1.834 0 50 FDAA O=C(CCS(=O)(=O)c1ccccc1)N[C@@H]1COC[C@H]1Cc1ccncc1 1529120946 VNOHNYOHCIYCJW-SJLPKXTDSA-N 374.462 1.619 0 50 FDAA O=C1CCc2cc(S(=O)(=O)N3CCC[C@@]4(CCC[C@H]4O)C3)ccc2N1 1704297643 DFBFRZPMAKCJKY-AEFFLSMTSA-N 364.467 1.887 0 50 FDAA CNCCN1C(=O)CC[C@@H]2CN(C(=O)NCC3CCCCC3)CC[C@@H]21 215389159 FIAJHEOXLBFRRH-SJORKVTESA-N 350.507 1.809 0 50 FDAA Cc1cc(C[C@@H]2CN(CC(=O)N3CCOc4ccccc43)C[C@H]2O)on1 1704297591 BWCYZYNLDDLQJA-RHSMWYFYSA-N 357.410 1.244 0 50 FDAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCc1nc(Cl)n[nH]1)C2 222088792 KDPJHVATDOIRIF-OLZOCXBDSA-N 365.865 1.806 0 50 FDAA CCCN1C[C@H](C(=O)N2CCCN(Cc3nnc(C)o3)CC2)CCC1=O 1772807933 CYSGVSMDQUQAHR-OAHLLOKOSA-N 363.462 1.061 0 50 FDAA O=C(c1cc(-c2ccsc2)[nH]n1)N1CCCN(C(=O)[C@H]2CCOC2)CC1 1772703279 WMDZJWRTHDPTMZ-ZDUSSCGKSA-N 374.466 1.849 0 50 FDAA O=C(Cc1cn2ccsc2n1)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 11820170 OGMVHOKCFGAZAE-OAHLLOKOSA-N 372.425 1.995 0 50 FDAA CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)Cn1cnnn1 12203133 DQQFKSQMEZPMSH-HNNXBMFYSA-N 360.437 1.225 0 50 FDAA CN(Cc1ccon1)C(=O)c1cc(COc2ccc3c(c2)OCO3)[nH]n1 12302411 RXLZWMMOBMBYKT-UHFFFAOYSA-N 356.338 1.978 0 50 FDAA O=C(NCCN1CCCCC1=O)c1coc(Cn2cnc3ccccc32)n1 12447565 WDVLJRKFVFYTBL-UHFFFAOYSA-N 367.409 1.815 0 50 FDAA O=C(CCn1ccc(=O)[nH]c1=O)N[C@@H]1CCCN(C2CCCCCC2)C1 14980346 UMEUWQHLXDEGMP-OAHLLOKOSA-N 362.474 1.230 0 50 FDAA Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)NCc1cccnc1 16648581 KJUSGSUJCWIBDB-UHFFFAOYSA-N 363.439 1.336 0 50 FDAA COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1c(O)n2ccccc2nc1=O 205957996 IUPRYVBYOWKPHK-GFCCVEGCSA-N 370.361 1.809 0 50 FDAA COc1ccccc1-n1nc(-c2ccccn2)nc1[C@H]1C[C@H](N)[C@@H](O)C1 1857716808 FPEKUNOGMIWOFH-XEZPLFJOSA-N 351.410 1.904 0 50 FDAA Cc1cc(C(=O)NC[C@H]2[C@H]3CN(CCC(=O)O)C[C@]34CC[C@H]2O4)c(C)o1 1857730660 UAQIFRQABLEDDI-WFXMFSGNSA-N 362.426 1.580 0 50 FDAA Cn1cccc(CN2CC[C@@]34O[C@H](c5ccccc5)CN3C(=O)C[C@@H]24)c1=O 1857741294 MFFDWUGVHHSPJW-UEXGIBASSA-N 365.433 1.660 0 50 FDAA CN1C[C@H]2COC[C@@H]1CN(S(=O)(=O)Cc1cc(F)ccc1Cl)C2 1875243797 XXVPLQUSNGIJKA-RISCZKNCSA-N 362.854 1.571 0 50 FDAA CCNc1ncc(C(=O)N2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)cn1 210223110 GEJLJOYQYVUSNL-CABCVRRESA-N 370.409 1.628 0 50 FDAA Cc1noc(C)c1CN1C(=O)[C@@H]2CC[C@H]1CN(c1ncnc3nc[nH]c13)C2 219801234 VQASVSDQYCOWFQ-OLZOCXBDSA-N 367.413 1.585 0 50 FDAA Cc1ccc(C)n1-c1nc(CC(=O)N2CC[C@H]3OCC(=O)N[C@H]3C2)cs1 225482218 XKOSOEMJORPLDJ-LSDHHAIUSA-N 374.466 1.209 0 50 FDAA CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc(N2CCCCC2)cc1 617886449 ZUZFRJWYBZBSGI-HOTGVXAUSA-N 352.456 1.219 0 50 FDAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)CN3C(=O)C2(C(N)=O)CC2)cc1 247904253 RNYCGFYJXYDEMS-CVEARBPZSA-N 357.454 1.384 0 50 FDAA Cc1ccc(F)cc1S(=O)(=O)N1CC[C@@]2(CO)CCCN(C)[C@@H]2C1 1704336692 JYFBDZVRJPQFKK-IAGOWNOFSA-N 356.463 1.601 0 50 FDAA CN(C)[C@@H]1CN(Cc2conc2Cc2ccccc2)C[C@@H]1n1ccnn1 862496973 AMVLFADWHBWYKW-MOPGFXCFSA-N 352.442 1.844 0 50 FDAA Cc1c(Cl)c(CN2CCN(c3ccc4nncn4n3)[C@@H](C)C2)nn1C 2325753034 XDMGQFWBZONVFT-NSHDSACASA-N 360.853 1.530 0 50 FDAA COCCn1nnnc1Sc1nc(-c2cccnc2)nc2c1CCC2 2325758243 ZNUIICAOSBHTRD-UHFFFAOYSA-N 355.427 1.811 0 50 FDAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1ccc(-n2cccn2)nc1 2325785619 GHWLQDZMDDFVIW-NUEKZKHPSA-N 352.398 1.033 0 50 FDAA Cc1ncc(CNC(=O)c2cccnc2-n2cc(Br)cn2)[nH]1 2325860325 CLYZXPOTFXHAFT-UHFFFAOYSA-N 361.203 1.991 0 50 FDAA O=C(O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@]23CCCNC3=O)c1 2356151266 AOUPKVGTHMBDEO-HNNXBMFYSA-N 372.830 1.472 0 50 FDAA COC(=O)[C@@H]1C[C@@H](Nc2nccc(-c3ccc(N(C)C)cc3)n2)CN1C 2356156229 XULOLLABMUXUSR-PBHICJAKSA-N 355.442 1.867 0 50 FDAA CN(C)c1ccc(NC(=S)NNS(=O)(=O)c2ccccc2)cc1 3086367 XGAPWROTVMNBAL-UHFFFAOYSA-N 350.469 1.933 0 50 FDAA CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)OCCO3)C1 6747434 RGIXJWRJRJVANO-LBPRGKRZSA-N 354.428 1.458 0 50 FDAA COc1ccnc(N2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)n1 106989248 OMUFVXRNABJENZ-QGZVFWFLSA-N 363.506 1.231 0 50 FDAA Cc1cccc(OCC(=O)N2CCC3(CC2)NC(C2CC2)=NC3=O)c1C 55414065 SRQJILAWGNERMT-UHFFFAOYSA-N 355.438 1.982 0 50 FDAA CN(C)CCN1C[C@H](C(=O)NCc2n[nH]c3c2CCCCC3)CCC1=O 20775379 REGABJZOGHBHAV-CQSZACIVSA-N 361.490 1.095 0 50 FDAA CN(c1ccc(C(=O)N2CCC(C(N)=O)CC2)c(Cl)c1)S(C)(=O)=O 65363595 LDPOPUVJKAJZCX-UHFFFAOYSA-N 373.862 1.073 0 50 FDAA O=C(N[C@H](CO)c1cccnc1)c1cc(COc2cccc(F)c2)[nH]n1 67446890 QFUZDPJEZZLQGB-QGZVFWFLSA-N 356.357 1.986 0 50 FDAA CC(C)N(C[C@@H]1CCC(=O)N1)c1nc2nonc2nc1N1CCCCCC1 20910148 VXPVPQFLGZAEEA-ZDUSSCGKSA-N 373.461 1.887 0 50 FDAA CCS(=O)(=O)c1ncc(CN(C)[C@H](C)c2nccs2)n1CCOC 23130564 GCCXGQUDKCTPMB-GFCCVEGCSA-N 372.516 1.973 0 50 FDAA Cc1ccc(Cl)cc1N1CCN(C(=O)CN(C)S(C)(=O)=O)CC1 22606616 UUPARWNEANOADX-UHFFFAOYSA-N 359.879 1.188 0 50 FDAA CC(C)c1nc(CN(C)[C@H]2CCN(C(=O)c3cnn4cccnc34)C2)no1 329824009 ZTUKDLBIGKZMDZ-ZDUSSCGKSA-N 369.429 1.582 0 50 FDAA CN1CCC(N2CCC(NC(=O)Cn3c(=O)oc4ccccc43)CC2)CC1 124425094 SDXWOEHQRWFLHG-UHFFFAOYSA-N 372.469 1.269 0 50 FDAA C[C@]1(C2CCN(Cc3cccc4c3OC(F)(F)O4)CC2)NC(=O)NC1=O 67947587 KZTFNRCPFLYPAV-MRXNPFEDSA-N 367.352 1.818 0 50 FDAA Cc1c(C(=O)N(C)C2CCNCC2)nnn1-c1cccc2ncccc12 125484325 IWHAOYOOSHJXBT-UHFFFAOYSA-N 350.426 1.948 0 50 FDAA C[C@H]1OCCN(S(=O)(=O)c2cccc(Cl)c2Cl)[C@@H]1C(N)=O 284744958 NMGBAAMLOIYDPZ-HQJQHLMTSA-N 353.227 1.257 0 50 FDAA CS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)CC1 126271998 MFGQXCZHNWWVRJ-QGZVFWFLSA-N 365.499 1.761 0 50 FDAA O=C(NCc1cccnc1Oc1ccc(F)cc1F)c1c[nH]c(=O)[nH]c1=O 67967783 PQRFUWHIGTVLNP-UHFFFAOYSA-N 374.303 1.459 0 50 FDAA CC(=O)N1CCC[C@H](CNC(=O)N2CCC[C@@](O)(C(F)(F)F)CC2)C1 332390662 WWZGKBHKUZXAIJ-HIFRSBDPSA-N 365.396 1.734 0 50 FDAA Cn1nccc1NC(=O)Cn1cc(-c2nccc(C(F)(F)F)n2)cn1 63869792 LSSXFRUBVSALNU-UHFFFAOYSA-N 351.292 1.731 0 50 FDAA CC(=O)N1CCC[C@](O)(C(=O)NCC2(c3ccccc3Cl)CC2)C1 285403807 MNDKFIOBBFVNBW-GOSISDBHSA-N 350.846 1.861 0 50 FDAA CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)NC[C@@H]1CCCN(C(C)=O)C1 332776203 GXEHUIBXUNINGH-BSDSXHPESA-N 367.490 1.470 0 50 FDAA O=C([C@H](O)c1ccccc1Cl)N1CCN(c2ccnc3nncn23)CC1 216173340 RICRULPYYCLJSW-OAHLLOKOSA-N 372.816 1.160 0 50 FDAA Cc1nc(C2CCN(C(=O)COC(C)C)CC2)cc(N2CCOCC2)n1 72419175 CQAWKRZZKNSAIA-UHFFFAOYSA-N 362.474 1.753 0 50 FDAA Cc1cc2nc(C(=O)N3CCC[C@@H](C(=O)c4nccn4C)C3)cc(C)n2n1 77354223 LXICDQNJWPSZSQ-CQSZACIVSA-N 366.425 1.815 0 50 FDAA C[C@H]1CN(C(=O)Nc2cnc(N3CCNCC3)nc2)Cc2ccccc2O1 333361860 SXWFOHAYNPTHCD-AWEZNQCLSA-N 368.441 1.701 0 50 FDAA Cc1[nH]cnc1C(=O)N1CCC(N2CCC(C(=O)N3CCCC3)CC2)CC1 71775608 GVMLFOQDNMAYIH-UHFFFAOYSA-N 373.501 1.657 0 50 FDAA COc1ccccc1[C@@H](NC(=O)[C@H]1CC12CCNCC2)c1noc(C)n1 237225737 JPBBIZTZVRWCGZ-GDBMZVCRSA-N 356.426 1.982 0 50 FDAA CN1CCN(c2ccc(C(=O)NCC3(Cn4ccnc4)CC3)cc2)CC1 219435242 LFVQVPBWFXDHSF-UHFFFAOYSA-N 353.470 1.845 0 50 FDAA COc1cc(CN2CCN(Cc3cc(C)n[nH]3)C[C@H]2CCO)cc(OC)c1 39371357 ZLMHVUSAWIFCRK-GOSISDBHSA-N 374.485 1.804 0 50 FDAA CCn1ccc(C(=O)N2CC3(CCN(C(=O)C4CC4)CC3)C[C@@H]2C(=O)O)n1 72457998 ADEUINXKVHAAEF-OAHLLOKOSA-N 374.441 1.221 0 50 FDAA O=C(NCc1ccc(CN2CCc3ccccc32)cc1)[C@H]1C[C@@H](O)CN1 238015813 DCTIOKIBOIYMEK-RTBURBONSA-N 351.450 1.588 0 50 FDAA Cn1c(CN2CCC(O)CC2)nnc1C1CCN(C(=O)C2(C)CC2)CC1 77458101 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CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(F)cc2)Oc2ccccc21 38756802 SQRKLXXXCBQQOE-OAHLLOKOSA-N 350.371 1.991 0 50 FDAA CN(CCO)C(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71750726 RFKHQHMNULMTDN-SFHVURJKSA-N 360.502 1.209 0 50 FDAA Cc1cc(CNC(=O)Nc2cc(-n3cnnn3)ccc2C)nc(N(C)C)n1 252498680 RIKNHDQHSHTOJP-UHFFFAOYSA-N 367.417 1.457 0 50 FDAA Cc1ccn(CC(=O)N[C@@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)n1 12706714 XSQDAAWDUMLVGE-MRXNPFEDSA-N 360.845 1.805 0 50 FDAA CCOc1ccc(-c2ccnc(N3CCC(O)(CO)CC3)n2)cc1C(=O)O 72418162 SSQVHPDLZNDRQN-UHFFFAOYSA-N 373.409 1.564 0 50 FDAA Cn1ncc(C(=O)N[C@H](CO)Cc2ccncc2)c1Cc1ccccc1 476987003 SDTJTXRHGISPDJ-KRWDZBQOSA-N 350.422 1.739 0 50 FDAA NC(=O)c1csc(NC(=O)Cc2ccnc(O)c2Br)n1 485492144 PWGPSQGFNUIRMM-UHFFFAOYSA-N 357.189 1.286 0 50 FDAA Cc1cc(N[C@H]2CCCN(Cc3ccnc(C)n3)C2=O)nc(C2CC2)n1 364664057 YEOVTBDRJNDUGD-INIZCTEOSA-N 352.442 2.364 0 50 FDAA COc1cccc(C(=O)N2CCN(C(=O)[C@H](C)n3ccnc3C)CC2)c1 77469736 BVPFAKMPDVFHCT-AWEZNQCLSA-N 356.426 1.746 0 50 FDAA 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CN(CCc1cnn(C)c1)C(=O)CN1C[C@@H](Cc2ccccc2)CC1=O 95501725 ODQLWDFQHSKGNT-SFHVURJKSA-N 354.454 1.512 0 50 FDAA O=C(NCc1cc2n(n1)CCN(C(=O)CCc1ccno1)C2)C1CCCC1 426359994 ABXGNGSTZHIIBM-UHFFFAOYSA-N 371.441 1.653 0 50 FDAA CCn1ncnc1[C@@H](C)NC(=O)c1ccc(-c2c(C)nc(O)nc2O)cc1 426518336 OPPRAZNUFGULDL-LLVKDONJSA-N 368.397 1.966 0 50 FDAA Cc1cccc(C)c1OC1CN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 95385024 BSVRCCLCMPEQSW-MRXNPFEDSA-N 359.470 1.303 0 50 FDAA CN1C[C@H]2CN(C(=O)Cc3cccc(C(F)(F)F)c3)C[C@@]2(C(=O)O)C1 96139323 LDAAVGZRTYZLNH-BBRMVZONSA-N 356.344 1.723 0 50 FDAA O=C(C1CCC1)N1CCc2[nH]cnc2C12CCN(C[C@H]1CCOC1)CC2 91985805 UZRNPKOMYMPHTR-OAHLLOKOSA-N 358.486 1.922 0 50 FDAA CCN(C(=O)Cc1cc2c(cc1Cl)OCCO2)[C@H]1CCS(=O)(=O)C1 91745835 DOJJHVKEDRVCQQ-LBPRGKRZSA-N 373.858 1.689 0 50 FDAA CNC(=O)c1noc(CNc2cc(C)nc(Nc3cccc(O)c3)n2)n1 95380558 UUICLNMTYNOCBC-UHFFFAOYSA-N 355.358 1.589 0 50 FDAA CC(=O)c1cc(CC(=O)N2CCC[C@H]2C(=O)N2CCOCC2)cs1 426370074 RSKOINHGQXMKRT-AWEZNQCLSA-N 350.440 1.343 0 50 FDAA Cc1cc2c(N3C[C@H](CO)[C@H](CN4CCC(O)CC4)C3)ncnc2s1 95390056 SAECIGYVGZESBJ-ZIAGYGMSSA-N 362.499 1.501 0 50 FDAA Cc1cc(C)nc(CCNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)n1 91474105 XTZXRVHFWVAJND-HNNXBMFYSA-N 353.426 1.196 0 50 FDAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2c[nH]nc2-n2cnnn2)C1 95499632 ZMSLKDYVXAHFEZ-CYBMUJFWSA-N 369.433 1.402 0 50 FDAA COCCN1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 95530919 PQQTTXWIPYTNPN-SFHVURJKSA-N 360.502 1.869 0 50 FDAA Cc1cc(N2CCN(C(=O)c3cc(-c4ccc(C)o4)n[nH]3)CC2)nc(N)n1 91713244 XMCLGYMIIYPJNV-UHFFFAOYSA-N 367.413 1.621 0 50 FDAA Cc1nc[nH]c1CSCCNC(=O)c1cnc(-c2ccccn2)nc1O 91746433 JMMRYDBZOWRDAS-UHFFFAOYSA-N 370.438 1.939 0 50 FDAA CC(C)c1n[nH]c2c1CN(C(=O)Cn1nnc3ccccc3c1=O)CC2 23581923 VKEFVCBXZYJVSW-UHFFFAOYSA-N 352.398 1.223 0 50 FDAA CN(Cc1nc2c(s1)CCCC2)C(=O)Cn1ncc(N(C)C)cc1=O 95528752 AWOHYYYUQQJTMG-UHFFFAOYSA-N 361.471 1.303 0 50 FDAA CC(C)SCC(=O)N1CCC[C@H](c2nnc(Cn3ccnc3)n2C)C1 95373163 VXZDXOFQXSPXEH-AWEZNQCLSA-N 362.503 1.908 0 50 FDAA Cc1c(C(=O)NCCN2CCC[C@H](C(N)=O)C2)n(C)c2ccc(F)cc12 97446907 CJNKFUDMTAIJSW-ZDUSSCGKSA-N 360.433 1.553 0 50 FDAA CN1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1 95698515 CSSMUQJAIFGVTR-UHFFFAOYSA-N 367.906 1.929 0 50 FDAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)c2cnc(N)nc2C)C3)cc1 96132655 SNHWVVIKWJNTGR-UHFFFAOYSA-N 364.409 1.964 0 50 FDAA Cc1nc[nH]c1C(=O)N1CCN(c2cc(O)nnc2-c2ccccc2)CC1 97743675 YFQYDAAPQOPPDS-UHFFFAOYSA-N 364.409 1.843 0 50 FDAA CCc1n[nH]c(SCC(=O)N2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)n1 95505679 XRPRZZPRGGZDMP-FZKQIMNGSA-N 374.466 1.456 0 50 FDAA CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCc1cc(Cl)no1)C2 95375265 QOEFNTMOXINVTQ-WDEREUQCSA-N 361.851 1.143 0 50 FDAA Cc1cc(N2CCN(C)[C@@]3(CCC(=O)N(CC4CC4)CC3)C2)nc(N)n1 230190647 ZHQLHISIJGARER-LJQANCHMSA-N 358.490 1.280 0 50 FDAA COCC(=O)N1CCC[C@H](C(=O)N2CCC(Cc3noc(C)n3)CC2)C1 95388794 KQRBBCKWVJUMAU-HNNXBMFYSA-N 364.446 1.044 0 50 FDAA COc1ccc2c(c1)OC[C@]1(C(=O)O)CN(C(=O)Cn3nccc3C)C[C@H]21 95369132 LRASISXEYMTISQ-DNVCBOLYSA-N 371.393 1.290 0 50 FDAA CCc1ccc(-n2nc(C(=O)N3CCO[C@H](C(=O)O)C3)c3c2CCC3)cc1 237109140 WMLWCZWSOVQKQU-KRWDZBQOSA-N 369.421 1.849 0 50 FDAA CCn1nc(C(C)C)cc1C(=O)NCCN1CCN(c2ncccn2)CC1 91964692 FKDFUYLKHMJEFR-UHFFFAOYSA-N 371.489 1.368 0 50 FDAA O=C(Cc1n[nH]c2ccccc12)N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 244626653 FPYLAERACVGIQJ-RVKKMQEKSA-N 350.422 1.999 0 50 FDAA N[C@H]1C[C@@H](c2nnc(CNCCn3nnc4ccccc43)n2C2CC2)C1 252549906 RWSOYOOFSYPABP-BETUJISGSA-N 352.446 1.352 0 50 FDAA O=C1NCCN2CCN(C(=O)c3cccc(-c4ccc(F)c(F)c4)c3)C[C@@H]12 299762634 ONHZBRGNSNUWRU-SFHVURJKSA-N 371.387 1.888 0 50 FDAA CN(C)C[C@@H]1COCCN(C(=O)Nc2cc(-n3cnnc3)ccc2F)C1 299787802 QPWDKNDYMSCXLB-ZDUSSCGKSA-N 362.409 1.448 0 50 FDAA Cn1nnnc1SCCNC(=O)Nc1ccnn1C[C@H]1CC=CCC1 299777215 PMFQOTRQKOWJFI-LBPRGKRZSA-N 362.463 1.677 0 50 FDAA CN(C)CCCN1CCN(C(=O)c2cccc(-c3cncnc3)c2)CC1 299794883 KWEBUMOGQNTTRN-UHFFFAOYSA-N 353.470 1.853 0 50 FDAA COCCn1cnnc1[C@H](C)NC(=O)Nc1ccc(-n2nnnc2C)cc1 299772238 SWEYIUXCUFSFEM-NSHDSACASA-N 371.405 1.091 0 50 FDAA 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356.378 1.290 0 50 FDAA C=CC(=O)N1CCC(C(=O)N[C@H]2COc3ccc(Cl)cc3C2=O)CC1 2325885759 XBESYEJOCBGVQZ-AWEZNQCLSA-N 362.813 1.825 0 50 FDAA O=C(NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1)c1ccc2nn[nH]c2n1 416210465 QKBCASFOCROGMH-QMMMGPOBSA-N 365.319 1.561 0 50 FDAA CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(OC)c(-n2cnnn2)c1 120372089 VXAHSMZSLDXCSR-GFCCVEGCSA-N 368.401 1.090 0 50 FDAA CCN1CCN(C[C@@H](C)CNC(=O)c2cc3c(C)nn(C)c3s2)CC1 122253188 PBGPIGIBYLLAKI-ZDUSSCGKSA-N 363.531 1.947 0 50 FDAA CCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCOc1ccccc1 2415662 APUCCTSFKPXLAN-UHFFFAOYSA-N 357.414 1.714 0 50 FDAA CCC[C@]1(C(=O)O)CCN(C(=O)c2cc3c(cc2C)OCCO3)C[C@H]1O 2356160053 AUZCFNCXTCUKOX-APWZRJJASA-N 363.410 1.844 0 50 FDAA COCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(C)cc1 4949922 XAWJRHDJOHOQSS-UHFFFAOYSA-N 360.439 1.519 0 50 FDAA COC(=O)C1CCN(C(=O)CSc2ncn(-c3ccccc3)n2)CC1 4999192 UIEGUVJXJKTAAU-UHFFFAOYSA-N 360.439 1.771 0 50 FDAA CC(C)N(CCN1CCCCCC1)C(=O)CCn1ccc(=O)[nH]c1=O 55108410 IHTXWLKBXVWHTI-UHFFFAOYSA-N 350.463 1.040 0 50 FDAA O=C(N1CCOCC1)N(CCN1CCOCC1)Cc1cccc(Cl)c1 22640779 ATTLQAGRJMOZSX-UHFFFAOYSA-N 367.877 1.926 0 50 FDAA Cc1cccc([C@H](C(=O)N2CCN(C)C3(CCN(C)CC3)C2)N(C)C)c1 67973947 DFXLKOPBZAQHAB-LJQANCHMSA-N 358.530 1.836 0 50 FDAA CN(CCO)CCOCCOc1ccc(I)cc1 22079096 SWBNXVLEIGLXGC-UHFFFAOYSA-N 365.211 1.611 0 50 FDAA O=C(O)c1nn(CC2CC2)c2c1CN(C(=O)c1[nH]nc3c1CCCC3)CC2 67935022 AMJBSPXJOHQMAP-UHFFFAOYSA-N 369.425 1.792 0 50 FDAA Cc1noc(-c2ccc(N3CCC[C@@H](Cn4cc(C(=O)O)nn4)C3)nc2)n1 67654914 NJOISSWJQQEHQW-GFCCVEGCSA-N 369.385 1.646 0 50 FDAA O=C(c1ccccc1F)N1CCN(c2cc(-n3cccn3)ncn2)CC1 67602118 ISTRXHCMHJFZHK-UHFFFAOYSA-N 352.373 1.764 0 50 FDAA Cc1ccc(CCC(=O)N2CCS(=O)(=O)C[C@H]2c2cnn(C)c2)o1 328636012 VHLVFVKDKNLPGF-HNNXBMFYSA-N 351.428 1.252 0 50 FDAA CCc1nn(C)c(Cl)c1CN1CCC[C@H](c2nn(C)c(=O)n2CC)C1 67867344 XZBOSODLKDEDBW-LBPRGKRZSA-N 366.897 1.931 0 50 FDAA O=S(=O)(Cc1cc2c(cc1Br)OCCO2)[C@@H]1CCOC1 330110904 AOSLDVLGWOXBJH-SNVBAGLBSA-N 363.229 1.924 0 50 FDAA C[C@@H]1Oc2ccccc2N(CC(=O)N2CCC(c3ccn[nH]3)CC2)C1=O 125040532 CLINSTRILNLHAB-ZDUSSCGKSA-N 354.410 1.930 0 50 FDAA Cc1cnc(C)c(-c2cc(O)c3c(c2)CN(C(=O)[C@@H]2C=CCN2)CCO3)n1 67842708 KIWCQJKHDWUFKQ-INIZCTEOSA-N 366.421 1.715 0 50 FDAA CN(C)CCNC(=O)[C@H]1C[C@@](C)(C(=O)O)N(C)[C@H]1c1ccc(Cl)cc1 67688315 IADFKZVKDIMJAB-MPGHIAIKSA-N 367.877 1.854 0 50 FDAA CN1CCC2(CCN(C(=O)Nc3cc(-n4cnnn4)ccc3F)CC2)C1=O 444901848 VOSQMZOHPPUHAA-UHFFFAOYSA-N 373.392 1.278 0 50 FDAA CS(=O)(=O)[C@@H]1CCCCN(S(=O)(=O)C[C@@H]2CCCC2(F)F)C1 333260147 AWRPRPPGWWGSMC-NWDGAFQWSA-N 359.460 1.651 0 50 FDAA COc1cccc2c1OC[C@@H](C(=O)N1CCN(c3ccncc3)CC1)C2 76196113 OIWXUSSTUGFNED-INIZCTEOSA-N 353.422 1.990 0 50 FDAA O=C(NCCc1ccccn1)[C@H]1CN(C2CSCCSC2)CCO1 72454306 ZNCYDRFTNFLXHV-MRXNPFEDSA-N 367.540 1.290 0 50 FDAA O=C(c1c[nH]nc1-c1cccc(F)c1)N1CC[C@@H](N2CCOCC2)[C@H](O)C1 71708028 GGCQKACTHCOWPK-IAGOWNOFSA-N 374.416 1.123 0 50 FDAA O=C(NC1CCN(C(=O)N2CCCC2)CC1)c1cn(-c2ccccc2)nn1 72157029 KMIZONYLNFYIAF-UHFFFAOYSA-N 368.441 1.677 0 50 FDAA O=C(O)CC[C@@]1(CCC(=O)NCc2c(F)cccc2F)CCC(=O)N1 218022031 QPGXSSOKQGDJDQ-QGZVFWFLSA-N 354.353 1.875 0 50 FDAA COc1ccc(/C=C/CN2CC[C@@H](NC(=O)c3cnccn3)[C@H](O)C2)cc1 77505265 INJAETMSJYXQIZ-LHZYAQQZSA-N 368.437 1.364 0 50 FDAA COCCCN1C[C@]2(CCCN(c3cc(C(N)=O)ccn3)C2)CCC1=O 77515934 GBIURRBVZVMQIM-LJQANCHMSA-N 360.458 1.426 0 50 FDAA CC(C)c1nc([C@H]2CCCCCN2S(=O)(=O)[C@@H](C)C(=O)N(C)C)no1 365118718 WMHDPZJNFRVTHD-QWHCGFSZSA-N 372.491 1.917 0 50 FDAA CN(C)Cc1ccccc1C(=O)N1CC[C@H](N(C)Cc2ncccn2)C1 365998699 LAWMLQVBCNPRQC-KRWDZBQOSA-N 353.470 1.885 0 50 FDAA Cc1ccnc2nc(C(=O)N3CCC[C@@](CO)(Cc4ccccc4)C3)nn12 366046569 ASIRMSWRENNJBK-HXUWFJFHSA-N 365.437 1.890 0 50 FDAA Cc1cccc(-n2nnnc2S[C@H](C)C(=O)NCc2cnn(C)c2)c1 219995024 ZHYNRPOWZRRQQY-GFCCVEGCSA-N 357.443 1.501 0 50 FDAA Cc1nn(C)cc1CN1CCC[C@H](c2nnc(CN3CCOCC3)n2C)C1 72426183 RJSDQDGEGZXYBD-INIZCTEOSA-N 373.505 1.069 0 50 FDAA CNc1ccnc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]cn3)C2)n1 72462709 KWXQCDDLDUHMRE-DZGCQCFKSA-N 355.446 1.301 0 50 FDAA O=C(CNC[C@H]1CCCO1)N(Cc1ccsc1)[C@H]1CC12CCNCC2 261827831 ABBBTOINPAGSGP-SJORKVTESA-N 363.527 1.987 0 50 FDAA O=C1CC[C@@H](NC(=O)CC2(C(=O)O)CCCCCC2)[C@@H]([C@H]2CCCO2)N1 370675594 GAQNENLYTHTOJC-CPUCHLNUSA-N 366.458 1.744 0 50 FDAA O=C(CCc1cc2n(n1)CCNC2)NCc1csc(-c2ncccn2)n1 72427874 BWZNBOZWZWWPDF-UHFFFAOYSA-N 369.454 1.149 0 50 FDAA Cc1cc(=O)nc(S[C@@H](C)C(=O)N2CCN(C3CCCC3)C(=O)C2)[nH]1 216434200 JYQNWMJBYWRQQF-LBPRGKRZSA-N 364.471 1.172 0 50 FDAA O=C(O)CO[C@@H]1COCC[C@H]1NC(=O)C1(c2ccc(Cl)cc2)CC1 222429794 MACVECLINLFWKN-ZIAGYGMSSA-N 353.802 1.747 0 50 FDAA O=C(c1scc2c1OCCO2)N1CCCC[C@@H]1CN1CCOCC1 82170889 JNNBPKQHSWALLQ-CYBMUJFWSA-N 352.456 1.846 0 50 FDAA COc1ccc([C@@H](NC(=O)CN2CCCCCC2=O)[C@H]2C[C@@H](O)C2)cn1 223467920 KCYMVRRZUSMACT-SPYBWZPUSA-N 361.442 1.421 0 50 FDAA COc1ccc(C(=O)N2CCN(C(=O)c3ccn(C(F)F)n3)CC2)cc1 82157155 ANCBLVCJUDPGGP-UHFFFAOYSA-N 364.352 1.885 0 50 FDAA CCC(=O)NCCNC(=O)c1ccc(-c2ncccc2C(=O)NC)cc1 426373640 PATDOWPBOGXBHN-UHFFFAOYSA-N 354.410 1.364 0 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O=C(CCCc1cccs1)N1CC[C@]2(CCCN(CCO)C2=O)C1 219555145 JXCVIAOXIPXGCQ-GOSISDBHSA-N 350.484 1.904 0 50 FDAA Cc1nc([C@H]2CN(C(=O)N[C@H]3COc4c(C)cccc4C3)CCO2)no1 332879396 VPOPUICWCXJLOA-HUUCEWRRSA-N 358.398 1.773 0 50 FDAA COc1ccc(S(=O)(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)c(C)c1 333087612 NMNUDDFCQVPZKL-MRXNPFEDSA-N 373.496 1.593 0 50 FDAA CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)N)c1 237082887 MCOQJMUZPIYMTK-DOMZBBRYSA-N 360.501 1.371 0 50 FDAA Nc1nccc(N2CCC(C(=O)O)(n3ccc(-c4ccco4)n3)CC2)n1 72474500 ZDJMSXALGWTZDL-UHFFFAOYSA-N 354.370 1.596 0 50 FDAA CNC[C@H]1CCCN(S(=O)(=O)c2cc(C)cc(S(C)(=O)=O)c2C)C1 237317394 PTVUTAXKHOHMAA-CQSZACIVSA-N 374.528 1.327 0 50 FDAA COC(=O)CN1CCN(c2nccc(-c3ccc(C)nc3C)n2)[C@H](C)C1=O 71763742 HYGJKHKRRITMGK-CQSZACIVSA-N 369.425 1.366 0 50 FDAA CC[C@H](C(=O)N1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1)n1cccn1 71763116 LYEFSVURLZPNBP-MRXNPFEDSA-N 364.409 1.564 0 50 FDAA CC(=O)c1cc(C(=O)N[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)[nH]n1 72165459 UJKLVIZSUNFGDC-AWEZNQCLSA-N 358.373 1.325 0 50 FDAA O=C([C@H]1CCCN1c1nccs1)N1CCN(c2ccc(F)cn2)CC1 367641191 CEDFVGQZIQOMCJ-CQSZACIVSA-N 361.446 1.995 0 50 FDAA Cc1ncsc1CCS(=O)(=O)NC1CN(C(=O)OC(C)(C)C)C1 242147456 WRZVAMVYVDCBIC-UHFFFAOYSA-N 361.489 1.533 0 50 FDAA Cn1c(CN2CCOCC2)nnc1C1CCN(C(=O)c2ccccc2)CC1 77428060 WEBWYBYOFPJCEW-UHFFFAOYSA-N 369.469 1.667 0 50 FDAA COC[C@H](C)n1c(CCCC(=O)N2CCCNCC2)nc2cccnc21 77319927 ZLQNUSNHLBIRAG-HNNXBMFYSA-N 359.474 1.783 0 50 FDAA Cc1cnc(CN2C[C@@]3(CCCN(c4nccc(N)n4)C3)CCC2=O)cn1 77437833 AACKPFSXCQOBBM-IBGZPJMESA-N 367.457 1.566 0 50 FDAA Cc1ccc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(N)=O)cc2)cc1O 219921667 SEQAVGFNXYHTTD-SJLPKXTDSA-N 370.405 1.766 0 50 FDAA Cc1c(C(=O)N2CCO[C@@H](C(=O)O)C2)nnn1-c1cccc2cnccc12 262865615 HZNJWPCZZVMBCO-OAHLLOKOSA-N 367.365 1.050 0 50 FDAA CC(=O)NCCC(=O)NCc1cc2n(n1)CCCN(C1CCCCC1)C2 82170733 CZSOGPRHMKOESP-UHFFFAOYSA-N 361.490 1.564 0 50 FDAA CS(=O)(=O)N1CCC[C@@H](CNC(=O)Nc2ccc3c(c2)COC3=O)C1 426673987 FPQMAYDMLPTYSJ-NSHDSACASA-N 367.427 1.150 0 50 FDAA NC(=O)c1cnn2c1C[C@H](CNc1ncnc3c1ncn3C1CC1)CC2 292647817 GIWKYDHIFAYTDT-SNVBAGLBSA-N 352.402 1.131 0 50 FDAA COc1cc(C(=O)NCc2nc(C(F)(F)F)n[nH]2)ccc1OCCN 426613498 ACMPMFXLTAVHDN-UHFFFAOYSA-N 359.308 1.100 0 50 FDAA Cc1c(-c2cc(C(=O)NCCc3noc(C(F)(F)F)n3)no2)cnn1C 426632865 JVBGCCFICMQURZ-UHFFFAOYSA-N 370.291 1.758 0 50 FDAA CCn1cnnc1CCNC(=O)c1cccc(-c2ccc(C(=O)NC)o2)c1 426470925 QOSFWYBJCQAPFV-UHFFFAOYSA-N 367.409 1.890 0 50 FDAA O=C(N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1csnn1 293073258 RXDOOBBXNVBQSH-SECBINFHSA-N 358.470 1.183 0 50 FDAA CCc1nc(C)c(CC(=O)NC[C@H]2CCOc3ccccc3C2)c(=O)[nH]1 95392249 FFNYXPPQIQFABS-AWEZNQCLSA-N 355.438 1.941 0 50 FDAA CS(=O)(=O)N1CCc2[nH]cnc2C12CCN(Cc1ccccn1)CC2 92097382 FKTCVYGFQZXPGK-UHFFFAOYSA-N 361.471 1.114 0 50 FDAA Cn1c(Cn2cccn2)nnc1[C@H]1CCCN(C(=O)CSCC2CC2)C1 91563494 BLEJPEKWFPBZQP-HNNXBMFYSA-N 374.514 1.909 0 50 FDAA Cc1ocnc1C(=O)N1CCC[C@@H](c2nnc(Cn3ccnc3C)n2C)C1 95388188 RCGXBXPOWFLKSB-CQSZACIVSA-N 369.429 1.685 0 50 FDAA COc1ccccc1CNC(=O)CCN1C[C@@H](NC(C)=O)[C@H](C(C)C)C1 95522465 RHQHQPZOJOVABH-ZWKOTPCHSA-N 361.486 1.794 0 50 FDAA O=C1C[C@H](C(=O)N2CCN(c3nccs3)CC2)CN1Cc1ccncc1 97609981 LCCZZBDMMLRNMK-HNNXBMFYSA-N 371.466 1.235 0 50 FDAA Cc1cc(C)n(C[C@H](C)NC(=O)Nc2cccc(-c3nnn(C)n3)c2)n1 97713631 BPWZRKUWZNMIGG-LBPRGKRZSA-N 354.418 1.901 0 50 FDAA CN(C)C(=O)CN1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 91691681 KSVZZKROWHDPLC-UHFFFAOYSA-N 357.462 1.125 0 50 FDAA CCc1nc2ccccc2n1[C@@H](CC)C(=O)NCc1nc(C(N)=O)no1 95363329 XCOSAROGEMRGDA-NSHDSACASA-N 356.386 1.348 0 50 FDAA Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CCO[C@H](Cc2ccccc2)C1 181240050 FHMUJEMGESQIRK-CQSZACIVSA-N 353.378 1.908 0 50 FDAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(F)c(F)c1)C2 95355748 YJQZQIGGTDNKML-WCQYABFASA-N 373.425 1.308 0 50 FDAA O=C(Cn1cnc2ccccc2c1=O)N1CCCO[C@@H](CN2CCCC2)C1 91468948 JLLRZUYGOCEGLF-INIZCTEOSA-N 370.453 1.110 0 50 FDAA CCc1cc(N2CCC(N[C@H]3CN4CCC3CC4)CC2)nc(N(C)C)n1 95528189 UTWMWGGJQQRSLX-SFHVURJKSA-N 358.534 1.758 0 50 FDAA COCCN(C)C[C@@H]1CN(C(=O)Cc2cc(F)ccc2C)C[C@@H]1CO 91494114 NGHKYBOEGOQDIP-IAGOWNOFSA-N 352.450 1.322 0 50 FDAA Cc1c([C@H](C)NC(=O)CCNS(C)(=O)=O)cnn1-c1ccccc1 92081798 ISCBLXKPFDLTKF-LBPRGKRZSA-N 350.444 1.297 0 50 FDAA CNCCNC(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O 91441158 GODWVPAIWANKNW-UHFFFAOYSA-N 355.225 1.617 0 50 FDAA Cc1nc2ncccn2c1C(=O)N1CCN(Cc2ccco2)[C@H](CCO)C1 97674180 HZIKUKSGBUORIH-OAHLLOKOSA-N 369.425 1.340 0 50 FDAA O=C(O)C[C@H](NC(=O)[C@H]1COCCO1)c1ccc(Br)cc1 299365900 OPHMRJOMERZQBO-NWDGAFQWSA-N 358.188 1.497 0 50 FDAA C[C@@H](C(=O)N[C@@H](CO)c1cccc(Br)c1)N1CCN(C)CC1 183913379 OUURDYTWDYABCA-WFASDCNBSA-N 370.291 1.235 0 50 FDAA CCn1c(CN2CCN(Cc3ncccc3C)CC2)nnc1[C@H]1C[C@@H](N)C1 252536024 HLZKTOPYACSAIX-CALCHBBNSA-N 369.517 1.524 0 50 FDAA Cc1noc(C)c1COc1cccc(C(=O)N2CCOC[C@H]2C(=O)O)c1 299749298 JWHAOFDDXSNEDD-INIZCTEOSA-N 360.366 1.796 0 50 FDAA Cc1ccc(C(=O)N2CC(N3C[C@H](c4nc(C)no4)CC3=O)C2)c(C)n1 864677369 CIVCWZIDRJWNGP-CYBMUJFWSA-N 355.398 1.230 0 50 FDAA CCCN1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1 263617221 MTPWVSZGMBLWJY-QGZVFWFLSA-N 373.432 1.857 0 50 FDAA CCc1nccn1CCCNC(=O)c1ccc(-c2cc(=N)[nH]c(=N)[nH]2)cc1 534640122 AJUVGVFSOTYLHU-UHFFFAOYSA-N 365.441 1.548 0 50 FDAA CN(Cc1nc2c(s1)CCCC2)C(=O)[C@H]1CSC(C)(C)C(=O)N1 299756226 KCCADNGVNRDMRG-LLVKDONJSA-N 353.513 1.991 0 50 FDAA COc1cccc(S(=O)(=O)N2CCCN(C(=O)C3CCC3)CC2)c1 75019160 JDXPMYCQAARVMF-UHFFFAOYSA-N 352.456 1.718 0 50 FDAA CN1Cc2ccccc2C[C@H]1CNC(=O)c1coc(CN2CCOCC2)c1 299770265 QUCATLHSJGFRSO-IBGZPJMESA-N 369.465 1.898 0 50 FDAA O=C(N[C@H]1CCCN(C(=O)c2ccco2)C1)N1CCC(c2nc[nH]n2)CC1 584902376 HSXXTCPVDWSHOP-AWEZNQCLSA-N 372.429 1.592 0 50 FDAA O=C(NCc1ccc2nc(O)[nH]c2c1)[C@H](Cc1cnc[nH]1)n1cccc1 670456268 NHIWKKDFEBJCFC-INIZCTEOSA-N 350.382 1.893 0 50 FDAA CNCC(=O)N1CCCc2ccc(NC(=O)Cc3c(C)nn(C)c3C)cc21 952850124 UFFAVUJDDDQGAX-UHFFFAOYSA-N 369.469 1.717 0 50 FDAA CO[C@@H]1CCN(Cc2cn(C)nc2C(=O)NCc2cnc(C3CC3)o2)C1 952887447 GNDYSNUWEORYFH-CQSZACIVSA-N 359.430 1.436 0 50 FDAA NC(=O)[C@H]1CC[C@@H](C2CCN(C(=O)c3ccc(N4CCC4)nc3)CC2)O1 952888459 IFCDSOWUSSMGGP-JKSUJKDBSA-N 358.442 1.177 0 50 FDAA Cn1cc(N2CC[C@H](NC(=O)C[C@@H](Cc3ccccc3)C(=O)O)C2)cn1 1875290772 CIUFMJPQPSDNCH-CVEARBPZSA-N 356.426 1.449 0 50 FDAA CCN(CC)Cc1cn(C[C@H]2CCN(C(=O)c3csc(O)n3)C2)nn1 1875337894 IOKCEMRDJVEONR-LBPRGKRZSA-N 364.475 1.444 0 50 FDAA N[C@@H](Cc1ccnnc1)C(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl 1875345210 VUNVAYHAZDFQGN-UONOGXRCSA-N 355.225 1.503 0 50 FDAA O=S(=O)(Nc1nsc(C2CC2)n1)c1cnc(C2OCCO2)s1 1875358522 YYRXFLOUKTVPEI-UHFFFAOYSA-N 360.442 1.718 0 50 FDAA C=CC(=O)N1CCN(C(=O)[C@H](C)n2c(C)nc3ccccc3c2=O)[C@@H](C)C1 1875381045 IHLMFLWXXKZNCL-KBPBESRZSA-N 368.437 1.511 0 50 FDAA CCn1cccc1C(=O)N1CC[C@@]2(CCN(C(=O)[C@@H]3OCC3(C)C)C2)C1 1875406748 LDKYINAEXSKPFT-OXJNMPFZSA-N 359.470 1.998 0 50 FDAA Cn1nc(C[C@H]2CCCC[C@H]2NCc2ccc3nonc3c2)n(C)c1=O 888099221 UUOKFPZJGPEDQV-ZIAGYGMSSA-N 356.430 1.546 0 50 FDAA Cc1cc(CN2CC[C@@]3(CC(=O)NN3C(=O)Cc3cccc(F)c3)C2)no1 888103782 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CC(C)Cc1cc(C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)nc(O)n1 1704299288 HVQIJMYDTMRUCB-VNHYZAJKSA-N 360.458 1.710 0 50 FDAA CC(=O)c1c(C)nn(CC(=O)N[C@H]2COC[C@@H]2Cc2ccncc2)c1C 1615935926 MBNRYAFQSFKHQZ-IRXDYDNUSA-N 356.426 1.471 0 50 FDAA C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@@H](C)O1 12438650 MCSUGGUPIOLQBC-GASCZTMLSA-N 366.483 1.723 0 50 FDAA COCCN1C(=O)N(C(C)C)C(=O)C12CCN(Cc1nc(C)c[nH]1)CC2 14534818 GFWXMMHZKOUWRL-UHFFFAOYSA-N 363.462 1.372 0 50 FDAA CCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(CC)c3)CN2C1=O 14743032 GKAXOCNKOXBFCG-JYJNAYRXSA-N 358.442 1.639 0 50 FDAA O=C(NCCN1CCC[C@H](O)C1)c1cn(Cc2ccc(Cl)cc2)nn1 15077775 GQEYISRCJSUHHH-HNNXBMFYSA-N 363.849 1.166 0 50 FDAA CN(CCCN1CCOCC1)c1nc2nonc2nc1NC1CCCC1 19635672 FJHUOQZPKULVJP-UHFFFAOYSA-N 361.450 1.526 0 50 FDAA O=C(CN1CCC2(CC1)C[C@H](O)C[C@H](c1ccccc1)O2)N1CCNCC1 1857701812 QDZUXPLNEYUSMM-RTBURBONSA-N 373.497 1.165 0 50 FDAA CO[C@@H]1CC[C@H](c2nc(-c3c[nH]nc3C)nn2-c2cnn(C)c2)C[C@H]1N 1857721141 BKMMNSPPBDJFHP-NILFDRSVSA-N 356.434 1.309 0 50 FDAA Cc1ocnc1C(=O)N1CCc2ncc(CNC(=O)[C@@H]3CCOC3)cc2C1 1875240615 CSPDNFWEYLPZOV-CQSZACIVSA-N 370.409 1.229 0 50 FDAA COCCN1C(=O)C[C@@H](CNCc2cccnc2C)[C@@H]1c1cnn(C)c1 328619542 GAEOBWFWTQUMFL-QFBILLFUSA-N 357.458 1.449 0 50 FDAA COc1ncc(CNC(=O)N2CCC[C@H]3C(=O)N(C)C[C@H]32)cc1Cl 458978522 FEIFCHVLXQKHQD-DGCLKSJQSA-N 352.822 1.506 0 50 FDAA O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCc2ccc(F)cc2C1 151580566 QNVXNPPDYCCCII-UHFFFAOYSA-N 353.353 1.414 0 50 FDAA CCn1cc(CN2C[C@H]3COC[C@@H]2CN(C(=O)Cn2cccc2)C3)cn1 1704336194 VDGNDURTQJQITP-MSOLQXFVSA-N 357.458 1.064 0 50 FDAA C[C@@]1(C(=O)O)CN(C(=O)c2ccccc2COC2CCOCC2)CCO1 910329194 XJXFFTKQBZVOKP-IBGZPJMESA-N 363.410 1.698 0 50 FDAA Cc1cccc2sc(C(=O)N3CC(NS(N)(=O)=O)C3)c(Cl)c12 913057405 XVVWQBCEYNVYNS-UHFFFAOYSA-N 359.860 1.481 0 50 FDAA Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N[C@H](CO)Cc2cncs2)cc1 913702448 KBYVMXHQPYZEAI-RDJZCZTQSA-N 373.478 1.662 0 50 FDAA O=C(NCC(=O)N1CCC[C@H]1c1nn[nH]n1)c1ccc(C(F)(F)F)cc1 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357.414 1.015 0 50 FDAA Cc1ccc(C2(O)CCN(Cc3cc(=O)n4nc(C)cc4[nH]3)CC2)nc1 334159647 BQGZBWRXEXPYDB-UHFFFAOYSA-N 353.426 1.518 0 50 FDAA Cc1noc(C)c1CN1C[C@@H]2CC[C@H](C1)N(C(=O)CN1CCOCC1)C2 91625751 CHLCVBYLOYHWBK-DLBZAZTESA-N 362.474 1.046 0 50 FDAA O=C1COc2c(Cl)cc(NC(=O)NC[C@@H]3CNCCOC3)cc2N1 97744756 XSRFWQPPDQQPLO-VIFPVBQESA-N 354.794 1.028 0 50 FDAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)Cc2cnc3c(C)cccn23)on1 96131909 OSRUSANWFQZWAC-PBHICJAKSA-N 354.410 1.856 0 50 FDAA CN(C)C(=O)c1cc(NC(=O)NCC(=O)N2CCCC2)ccc1Cl 97463455 MPZACCUAZGJAQL-UHFFFAOYSA-N 352.822 1.786 0 50 FDAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccnc2)CN1C1CCOCC1 96132007 WOBBSAFUXBSDQW-AEFFLSMTSA-N 374.485 1.302 0 50 FDAA N[C@H]1CN(C(=O)CCNC(=O)c2ccc(F)cc2)C[C@@H]1c1ccccc1 91586632 IXKYLARZLPPNGF-MSOLQXFVSA-N 355.413 1.899 0 50 FDAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc2c(=O)n(C)cnc2c1 91849043 NHWYFVYNWBGWGN-MRXNPFEDSA-N 356.426 1.407 0 50 FDAA Cc1nnnn1-c1cccc(-c2nc(Cc3cccs3)nn2CCO)c1 96165228 MCOJTCWDNWMSEE-UHFFFAOYSA-N 367.438 1.874 0 50 FDAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2ccc(O)cc2C)C1 244715908 LELQINMIXOAMOA-BETUJISGSA-N 360.414 1.107 0 50 FDAA CC(C)C[C@@H](NC(=O)CN1CCN(c2ncccn2)CC1)c1cccnc1 244724196 MPPPFBFLLBCBAN-GOSISDBHSA-N 368.485 1.897 0 50 FDAA O=C(O)[C@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)CCO1 299750742 OGEUHJCMPDEFDT-CQSZACIVSA-N 353.802 1.700 0 50 FDAA CN1CCN(CC2(CNC(=O)N3CCC[C@@H](Cn4ccnc4)C3)CC2)CC1 534663281 AWJCGYZWWPETTE-SFHVURJKSA-N 374.533 1.332 0 50 FDAA CCN1CCN(C[C@H](O)COc2ccc(CN3CCC3)cc2OC)CC1 95506213 UCQPNZDHTYTASS-SFHVURJKSA-N 363.502 1.278 0 50 FDAA O=C(c1cnc2sccn2c1=O)N1CCCO[C@H](CN2CCCC2)C1 299799496 SAMFWPYREBVPCJ-CYBMUJFWSA-N 362.455 1.083 0 50 FDAA O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)c1coc(CN2CCOCC2)c1 299758999 GMVBAMZJENMULK-MRXNPFEDSA-N 369.421 1.647 0 50 FDAA CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCc1nncn1CCc1ccccc1 299764890 VNGQENIWZKKFOL-SJORKVTESA-N 369.469 1.689 0 50 FDAA CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)[C@H]1CCCCn2nnnc21 299776880 HTQRKLALDCOMNE-INIZCTEOSA-N 369.404 1.924 0 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CCN1C(=O)CO[C@@H](CN[C@H](C)c2cc(C)ccn2)[C@@H]1c1nccn1C 886074752 TZERELXDFPCFGX-UWWQBHOKSA-N 357.458 1.763 0 50 FDAA CN1C[C@@H]2CNC[C@]2(C(=O)NCc2cc(-c3ccccc3Cl)on2)C1 1565508034 BAPPMYAGMZVXQD-SGTLLEGYSA-N 360.845 1.762 0 50 FDAA CCc1nnc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)OCO4)CCO2)o1 275342707 SAKMMZJROWUTLE-ZDUSSCGKSA-N 367.383 1.123 0 50 FDAA Cn1cc(N2CC[C@H](N3C(=O)CN(CCc4ccccc4)C3=O)C2=O)cn1 277176703 CFOKDWATRVHJBB-INIZCTEOSA-N 367.409 1.032 0 50 FDAA Cn1cc(C(=O)N2CCO[C@H](C(=O)O)C2)c(-c2ccc(F)cc2F)n1 408513444 JJSYGGDYNQKFFP-ZDUSSCGKSA-N 351.309 1.291 0 50 FDAA O=C(O)C[C@@H]1CN(C(=O)C2(c3ccccc3F)CC2)C[C@@H]1c1cnn[nH]1 1076063391 SSRSVERLYRKCFN-NEPJUHHUSA-N 358.373 1.692 0 50 FDAA O=C(Cn1nnn(-c2ccccc2)c1=O)N1CCC[C@@H](C(F)(F)F)C1 193716468 UDVFVUHTUIMQGZ-LLVKDONJSA-N 355.320 1.230 0 50 FDAA CC(=O)Nc1nonc1NC(=O)CCCc1nc(-c2ccncc2)no1 1529187122 OMKMRRLGBUSDGC-UHFFFAOYSA-N 357.330 1.434 0 50 FDAA CN1CCN([C@H]2CCN(C(=O)c3ccc(F)cc3Cl)C[C@@H]2O)CC1 205909219 BKTNWQAPRTZRKL-HOTGVXAUSA-N 355.841 1.302 0 50 FDAA Cc1cc(C[C@@H]2CN(C(=O)Cc3ccc(O)c(Cl)c3)C[C@H]2O)on1 1704297396 PVEHDOXMBDOPJH-MLGOLLRUSA-N 350.802 1.947 0 50 FDAA O=C1[C@H]2CN(c3ncc(Cl)cc3F)C[C@@]2(C(=O)O)CN1CC1CC1 222187200 RUUZFOJPKDYCOC-BDJLRTHQSA-N 353.781 1.634 0 50 FDAA CCc1nc(CN2CCCN(C(=O)c3ccc4nc[nH]c4c3)CC2)n[nH]1 1772700411 ADUNLVYXBIKWFE-UHFFFAOYSA-N 353.430 1.592 0 50 FDAA CN(C)c1cnn(CC(=O)N[C@H](c2ccccn2)C(F)(F)F)c(=O)c1 19336949 ALZFQJBWLDFYQB-CQSZACIVSA-N 355.320 1.124 0 50 FDAA Cc1cc(C(=O)N2CCC[C@@]3(CCc4c(O)nc(N(C)C)nc43)C2)no1 1857681532 MRFFFLJULNMQMF-GOSISDBHSA-N 357.414 1.665 0 50 FDAA Cc1cc(C(=O)N2CC[C@]3(C2)Cn2c(nnc2-c2cccnc2)CO3)no1 1857692950 ATNAHLAOVBMZOO-SFHVURJKSA-N 366.381 1.452 0 50 FDAA Cn1cccc1C(=O)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857716146 YPZWXZHYUDWBJL-QKLQHJQFSA-N 351.406 1.940 0 50 FDAA OC[C@]1(Cc2ccc(F)cc2)CN(c2cncc3nccn23)CC[C@@H]1O 1857721839 ILMXBOCUNIUFPO-LPHOPBHVSA-N 356.401 1.661 0 50 FDAA Cc1c(C(N)=O)sc2ncn(CC(=O)NCCc3ccccc3)c(=O)c12 936992 HWGPAJPYSAYRNV-UHFFFAOYSA-N 370.434 1.224 0 50 FDAA CC(=O)N1CCc2cc(S(=O)(=O)NC[C@H]3CCn4ccnc4C3)ccc21 328622930 IUDZOQZJOAMICI-AWEZNQCLSA-N 374.466 1.333 0 50 FDAA Cc1ncc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)[nH]1 328649838 VFQFWPDDYJYSKX-STQMWFEESA-N 361.425 1.263 0 50 FDAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(C/C=C/c1ccc(F)cc1)C2 247948135 BJKMIANTHNDGAD-SCQSPADBSA-N 359.445 1.850 0 50 FDAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cccc(-c3cn[nH]c3)c1)C2 247915785 ZIHLRBPDZDTWCB-AEFFLSMTSA-N 368.437 1.786 0 50 FDAA Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCCC[C@H]1c1ccnn1C 366828286 YBTURDDEFXQBSN-ZDUSSCGKSA-N 352.416 1.336 0 50 FDAA CCC[C@@]1(C(=O)O)CN(c2cc(C)nc(N3CCOCC3)n2)CC[C@@H]1O 2356157191 DLUUNAJHHSMFNK-KBXCAEBGSA-N 364.446 1.064 0 50 FDAA Cc1ccn2cc(C(=O)N3CCC[C@]34CCCN(CCO)C4=O)nc2c1 2356170826 WHBQSXSCIAFOSL-IBGZPJMESA-N 356.426 1.232 0 50 FDAA O=C(O)C[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)O 4040672 MTYPLLWVQYHCDM-AWEZNQCLSA-N 356.334 1.597 0 50 FDAA biogenic O=C(O)c1cc(Br)cc(S(=O)(=O)N2CCSCC2)c1 4294648 HWTMJWKAFPXUAJ-UHFFFAOYSA-N 366.258 1.885 0 50 FDAA NC(=O)C1(N2CCCCC2)CCN(S(=O)(=O)c2cccs2)CC1 4333344 ZDPQDLNHAWCCIG-UHFFFAOYSA-N 357.501 1.243 0 50 FDAA CCOC(=O)[C@@H](C)NC(=O)Cn1ncc2c(=O)oc3ccc(C)cc3c21 4961863 IWOBJBJRLQKQQK-LLVKDONJSA-N 357.366 1.519 0 50 FDAA COc1cccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c1 6237128 FYTNRKLQTLNOKN-UHFFFAOYSA-N 366.464 1.903 0 50 FDAA CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)C1 6747436 RGIXJWRJRJVANO-GFCCVEGCSA-N 354.428 1.458 0 50 FDAA CCNC(=O)c1c(NC(=O)CCNS(C)(=O)=O)sc2c1CCCC2 55402251 MWKGXRPJELWYAZ-UHFFFAOYSA-N 373.500 1.254 0 50 FDAA COc1ccccc1-n1cc(CN2CC[C@H](N3CCN(C)CC3)C2)cn1 102533452 URNJZJJFJRNXHI-SFHVURJKSA-N 355.486 1.703 0 50 FDAA CCN1CCC[C@@H](CN(C)C(=O)Nc2cc(C)n(C)n2)[C@@H]1c1cnn(C)c1 328625090 KKLWQAHASAEEKF-MAUKXSAKSA-N 373.505 2.399 0 50 FDAA CC[C@]1(C2CCN(C(=O)c3ccc(OC)c(O)c3)CC2)NC(=O)NC1=O 67868891 UAQBNUQDJSMTIQ-GOSISDBHSA-N 361.398 1.241 0 50 FDAA C[C@H](NS(=O)(=O)c1cnn(C2CCOCC2)c1)c1ccncc1F 328743741 ONJXCUYGHCNTID-NSHDSACASA-N 354.407 1.808 0 50 FDAA Cc1cc(CN2CCC([C@H](C)N3CCOCC3)CC2)c(C)n1-n1cnnc1 67758768 ZGMVCRRDJUJQDO-KRWDZBQOSA-N 372.517 1.941 0 50 FDAA C[C@@H]1C[C@@H](CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CCO1 332401783 UERYEWVBFVEIBY-CABCVRRESA-N 353.488 1.271 0 50 FDAA Cc1cc(CNCc2cccc(OC[C@@H](O)CN3CCOCC3)c2)on1 11812793 QNXNCAJZYRJSCC-KRWDZBQOSA-N 361.442 1.345 0 50 FDAA CC(=O)N1CCN(c2ncccc2CNC(=O)c2ccc(F)cc2F)CC1 11840282 WMBAVUFVTWGVON-UHFFFAOYSA-N 374.391 1.958 0 50 FDAA CN(CC(=O)N1CCC[C@@H]1C(=O)O)C(=O)c1ccc(Br)o1 237021646 HIEBLGVKNZVSSS-MRVPVSSYSA-N 359.176 1.190 0 50 FDAA Cn1nc(C(=O)Nc2ccc(I)cc2)cc1C(=O)O 2761821 IXMINJNHDMVMJY-UHFFFAOYSA-N 371.134 1.975 0 50 FDAA O=C(c1ccc[nH]1)N1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 71765385 AARDWYJAOISDIG-UHFFFAOYSA-N 351.410 1.968 0 50 FDAA CC(C)NC(=O)CN1CCN(C(=O)c2ccc([C@H]3CCCNC3)cc2)CC1 216046416 QKRRVWZVUAIJPE-IBGZPJMESA-N 372.513 1.436 0 50 FDAA CCSc1ncc(CN2CCN(S(=O)(=O)N3CCCC3)CC2)cn1 215843838 KENKLHQKPXHYPY-UHFFFAOYSA-N 371.532 1.047 0 50 FDAA CN(C)S(=O)(=O)N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 132706319 RXMPCZBSQAJOQC-UHFFFAOYSA-N 366.314 1.960 0 50 FDAA O=C(O)[C@]12CCCN(Cc3nccs3)[C@@H]1CCN(c1ncccn1)C2 72474908 KUFSVCVRCDPWPD-DYVFJYSZSA-N 359.455 1.879 0 50 FDAA CS(=O)(=O)c1ccc([C@H](O)CN2CCc3ccccc3[C@H]2CO)cc1 246299486 BVKIZMPGPKDCQQ-RTBURBONSA-N 361.463 1.715 0 50 FDAA C[C@@H](CO)Nc1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1 71761461 ALHBEZDSDXSUHU-AWEZNQCLSA-N 360.458 1.349 0 50 FDAA CN(C)C(=O)c1ccc(N[C@H]2CCN(c3ccccc3C(N)=O)C2)nc1 363573517 SUUFZGXFWOYRTC-AWEZNQCLSA-N 353.426 1.573 0 50 FDAA COc1ccccc1C1CC(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 365783430 RQHFHZHOXPRGLI-ROKHWSDSSA-N 354.410 1.834 0 50 FDAA COc1ccccc1C(=O)N1CCN(C(=O)CCc2c(C)n[nH]c2C)CC1 72458628 VEIREVFIXWLMLM-UHFFFAOYSA-N 370.453 1.952 0 50 FDAA CC[C@@H](C)Oc1ccc(CN2CCN(S(N)(=O)=O)CC2)cc1Cl 215675339 LZLCACIFRQHIDN-GFCCVEGCSA-N 361.895 1.838 0 50 FDAA CC(C)CN(Cc1cnn(C)c1)C(=O)[C@H](c1ccccc1)n1cnnn1 219804365 PQTLZBVROFUCDX-KRWDZBQOSA-N 353.430 1.681 0 50 FDAA O=C(c1cnc2nc[nH]n2c1=O)N1CCC[C@H](c2nc3ccccc3o2)C1 216000354 NCMCYZAFEYZVKT-NSHDSACASA-N 364.365 1.579 0 50 FDAA CCO[C@H]1CN(Cc2cc(CN3CCN(C)CC3)c(C)cc2C)C[C@@H]1O 219672280 BUENQCUOXRYWTH-SFTDATJTSA-N 361.530 1.632 0 50 FDAA CN1CCN(C(=O)c2ccc(-n3cnnn3)cc2O)C[C@H]1c1ccccc1 214980593 ZOJQFXZJDIHNJB-KRWDZBQOSA-N 364.409 1.497 0 50 FDAA Cc1cc(-c2cn3cc(C(=O)N4CCC(O)CC4)nc3c(=O)n2C)c(C)o1 72423903 PPLSLMSPROMAAZ-UHFFFAOYSA-N 370.409 1.507 0 50 FDAA CN(C)CCNC(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71755097 DXKFARIFSNNIKH-IBGZPJMESA-N 373.545 1.436 0 50 FDAA Cc1ccc(SCCNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1 44401023 TVBXVQFUERHITF-AWEZNQCLSA-N 356.513 1.875 0 50 FDAA Cc1cc(C)n(-c2ccc(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)n2)n1 40268900 MNZRGZHMSODKPP-UHFFFAOYSA-N 367.365 1.413 0 50 FDAA COC[C@H]1[C@@H](NS(=O)(=O)c2ccc(OC)c(Cl)c2)[C@@H]2CCO[C@@H]21 222454137 JMWPVIAZFKKXCY-GVARAGBVSA-N 361.847 1.677 0 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1.203 0 50 FDAA CN1CCN(CCC(=O)N2CCC([C@@H](O)CCc3ccccc3)CC2)CC1 221406566 CFZKASCIHXIUFK-NRFANRHFSA-N 373.541 1.856 0 50 FDAA O=C1C[C@@H](C(=O)NCc2nc(C(F)(F)F)n[nH]2)c2ccc(F)cc2N1 426495857 SUNWDIXNTYPGIQ-MRVPVSSYSA-N 357.267 1.705 0 50 FDAA Cc1ccc2[nH]c(SCC(=O)NCc3cc4n(n3)CCCNC4)nc2c1 82108990 AYOKBNFPZXXLHW-UHFFFAOYSA-N 370.482 1.970 0 50 FDAA CS(=O)(=O)C[C@H]1CCCN(C(=O)c2cc(F)ccc2OCCN)C1 426548866 RWXYZQGRWJEDIC-LBPRGKRZSA-N 358.435 1.060 0 50 FDAA COc1ccc(C(=O)N2CCC[C@@H](c3nccn3CC(N)=O)C2)cc1F 95499319 RWDTWYIGGOXAEV-CYBMUJFWSA-N 360.389 1.536 0 50 FDAA O=C(NCCOc1ccccc1Cl)c1cnc(Cn2cncn2)nc1O 91563330 VKJFYVPDTLQIFV-UHFFFAOYSA-N 374.788 1.284 0 50 FDAA CCCSCC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(C)=O 91586684 HSXGIDTZLPGXTH-UHFFFAOYSA-N 350.488 1.775 0 50 FDAA CC(C)c1nccn1[C@H](C)C(=O)N1CCc2onc(C(=O)N(C)C)c2C1 95497005 GYXJYVNYJJYNFD-GFCCVEGCSA-N 359.430 1.842 0 50 FDAA Cc1cnc2c(C(=O)N3C[C@@H]4c5ccccc5OC[C@]4(CO)C3)cnn2c1 95520566 VVELAJCQOLJDNC-OXQOHEQNSA-N 364.405 1.648 0 50 FDAA 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0 50 FDAA COC(=O)[C@@]12COC[C@@H]1CN(S(=O)(=O)c1cc3ccccc3s1)C2 1185437397 NVXYPLHOTUPXDB-LRDDRELGSA-N 367.448 1.711 0 50 FDAA Cn1c(C(=O)N2CC[C@@H]3OCc4cnnn4[C@H]3C2)cc2cc(F)ccc21 299755313 GWEFWNOJSITBHU-IRXDYDNUSA-N 355.373 1.895 0 50 FDAA CCn1c(=O)n(CC)c2cc(NC(=O)N[C@@H](C)Cn3cncn3)c(C)cc21 299799013 WVVZMCWGRQJHBS-ZDUSSCGKSA-N 371.445 1.953 0 50 FDAA CO[C@H]1C[C@@H](CNc2nccn3nc(C)cc23)N(c2cc(C)ncn2)C1 952890183 OSHYEUPIEKBBAM-GJZGRUSLSA-N 353.430 1.842 0 50 FDAA CCc1nc(CN2CCC(c3nccc(N4CCOCC4)n3)CC2)n[nH]1 952891540 FMGBROYQRCUYKK-UHFFFAOYSA-N 357.462 1.373 0 50 FDAA CN(Cc1ccns1)[C@@H]1CCCN(C(=O)c2cccn3nnnc23)C1 1875333960 RNISSAZHFNAABB-GFCCVEGCSA-N 357.443 1.317 0 50 FDAA C[C@H](CC(=O)c1ccccc1F)C(=O)N1CCc2nc(O)nc(O)c2C1 1875360163 AFYPMMIBYJARQP-SNVBAGLBSA-N 359.357 1.821 0 50 FDAA C=CC(=O)NC1(CNC(=O)Cn2c(C)cc3ccccc32)CCOCC1 1875386571 UGQRQXGIYYSGOC-UHFFFAOYSA-N 355.438 1.917 0 50 FDAA C[C@]1(NC(=O)C(F)(F)F)CCN(c2nnnn2[C@H]2CC[C@]23CCCO3)C1 1875404539 LZYGUHKRYVTZCC-LEWSCRJBSA-N 374.367 1.205 0 50 FDAA CO[C@@H]1CN(C(=O)c2cc(-n3cccc3)ccn2)C[C@H]1c1cn(C)nn1 886077619 AHEMRJVMWVLSEE-WMLDXEAASA-N 352.398 1.255 0 50 FDAA CC1(C)C[C@@H](NC(=O)C(=O)NC[C@H]2CCC23CCOCC3)C(C)(C)O1 1332866439 GPAFCCNUKMTDBV-ZIAGYGMSSA-N 352.475 1.772 0 50 FDAA CO[C@@H]1CN(C(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)CC[C@@H]1C 276113310 XPMBDLJKUZZLPL-CYZMBNFOSA-N 355.460 1.927 0 50 FDAA NS(=O)(=O)c1cccnc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 170621705 VQDKCJWURCAWHG-ZDUSSCGKSA-N 361.423 1.842 0 50 FDAA COc1cccc(C2(C(=O)N3CCC[C@@]4(C3)NC(=O)NC4=O)CCCC2)c1 279474288 MAJBGINZSZBWEF-FQEVSTJZSA-N 371.437 1.708 0 50 FDAA Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCC1(O)CCOCC1 171417011 SQBKHTKMLLOYEM-UHFFFAOYSA-N 372.469 1.889 0 50 FDAA Cn1c(=O)sc2cc(CN(C3CC3)[C@H]3CCS(=O)(=O)C3)ccc21 194989014 ICRKVGCWQPPYIL-ZDUSSCGKSA-N 352.481 1.752 0 50 FDAA CNc1ncccc1C(=O)N1CC[C@H](O)[C@](CO)(Cc2ccccc2)C1 1529180648 GNCRBCCQGHDKPH-FXAWDEMLSA-N 355.438 1.552 0 50 FDAA COc1cc2c(cc1CN1CC[C@H]3[C@H](CCC(=O)N3CCN)C1)CCC2 216965546 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CCc1noc(COC2CN(C(=O)C[C@@H]3OC(=O)c4ccccc43)C2)n1 818664555 BIAXYCVDHXRYCI-AWEZNQCLSA-N 357.366 1.661 0 50 FDAA COc1ccc(CNS(=O)(=O)c2ccc([C@H]3CNC(=O)C3)cc2)cc1 1063869 GSSGKJSERKFSTO-OAHLLOKOSA-N 360.435 1.777 0 50 FDAA O=C(NCc1nc([C@@H]2CCOC2)n[nH]1)c1ccn(-c2ccc(F)c(F)c2)n1 2325764815 RJRRGPCDFWWEJB-SNVBAGLBSA-N 374.351 1.703 0 50 FDAA COc1ccc2cccnc2c1S(=O)(=O)N(C)CCN1CCCC1=O 2325775799 WBHPIVSQVWAMNJ-UHFFFAOYSA-N 363.439 1.486 0 50 FDAA Cc1cnn(C2CCN(C(=O)C(=O)N=c3ccn(CC(C)C)[nH]3)CC2)c1 2325784222 KNDGVZYPGRGHMM-UHFFFAOYSA-N 358.446 1.268 0 50 FDAA Cn1nccc1[C@H]1c2[nH]cnc2CCN1C(=O)CCc1ccccc1CN 2325796010 LUXPKLBIWBSGCU-FQEVSTJZSA-N 364.453 1.709 0 50 FDAA C=CC(=O)N1CCC[C@@H](C(=O)N(C)Cc2ncc(Br)cn2)C1 2325889424 PQHAVTSHBQUIEK-LLVKDONJSA-N 367.247 1.622 0 50 FDAA O=C(Cc1cnn(-c2ccccc2)n1)N1CCN[C@H](c2ccc(O)cc2)C1 870083764 WANHXXDDGBQHQW-IBGZPJMESA-N 363.421 1.689 0 50 FDAA COc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1 1110119 OGPLCEDXTIHBCG-AWEZNQCLSA-N 362.451 1.987 0 50 FDAA COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@H]1c1ccc(OC)cc1 1205243 KWCBKJHLPZHEKH-KRXQYRFLSA-N 350.367 1.081 0 50 FDAA N[n+]1cnn(CC(=O)c2ccc(Br)cc2Br)c1 1214589 MCGUFIFDZBUPSH-UHFFFAOYSA-N 361.017 1.292 0 50 FDAA Cc1cc(=O)oc(C)c1C(=O)N1CCC[C@]2(CCc3c[nH]c(=N)nc32)C1 2356154182 LMNLKXYNSGQAKJ-IBGZPJMESA-N 354.410 1.579 0 50 FDAA O=C(O)CCCNS(=O)(=O)c1ccc(Br)c(C(=O)O)c1 3172596 KRDRLGDMDSTYEW-UHFFFAOYSA-N 366.189 1.290 0 50 FDAA Cc1cc(C)n(-c2ccccc2CN2CCO[C@H](c3nnn(C)n3)C2)n1 2356159476 CIBYPOLOCNGLHE-KRWDZBQOSA-N 353.430 1.586 0 50 FDAA O=C(NC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12)c1ccco1 4005611 BNJLBHDPABGDPQ-BCEDRHLLSA-N 364.357 1.523 0 50 FDAA O=C(CCOC1CCOCC1)N1CCN(C(=O)c2ccc(F)cc2)CC1 177107494 ZVCWDZLDPORSRH-UHFFFAOYSA-N 364.417 1.696 0 50 FDAA COCCn1c(=O)c2c(nc3n2CCN3c2ccc(C)cc2C)n(C)c1=O 10233810 MZHCRMZPBBZIKA-UHFFFAOYSA-N 369.425 1.312 0 50 FDAA Cc1ccccc1N(CC(=O)Nc1ccccc1C(N)=O)S(C)(=O)=O 20568062 SVTPNILUAYZGBI-UHFFFAOYSA-N 361.423 1.499 0 50 FDAA CN1CCNC(=O)C12CCN(C(=O)c1cn[nH]c1-c1cccs1)CC2 67789348 WUVLUDFAWDQHPA-UHFFFAOYSA-N 359.455 1.175 0 50 FDAA O=C(Cc1n[nH]c(=O)c2ccccc12)NC[C@@H]1CCCN2CCCC[C@@H]12 170613356 QSHDOFBECMHGOI-KSSFIOAISA-N 354.454 1.846 0 50 FDAA CCCNC(=O)N1CCc2ccc(S(=O)(=O)N3CCCC3)cc2C1 62605904 MDMPCWVTUFYMAT-UHFFFAOYSA-N 351.472 1.949 0 50 FDAA COc1ccc(-c2noc(CN3CCN(CC(=O)NC(C)C)CC3)n2)cc1 20908463 WRLYULVGLCGRRB-UHFFFAOYSA-N 373.457 1.387 0 50 FDAA CN(C)c1cccc(S(=O)(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)c1 330972361 KGVHKLDCGKAIMR-LBPRGKRZSA-N 365.421 1.915 0 50 FDAA Cc1nc2c(c(=O)n1C)CCN(C(=O)C1(c3ccc(F)cc3)CC1)CC2 65430077 VAULAZZTHLTSQO-UHFFFAOYSA-N 355.413 1.887 0 50 FDAA Cc1ccc(C2(O)CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)CC2)nc1 67946847 OUOMHZQFMDISLJ-UHFFFAOYSA-N 356.426 1.143 0 50 FDAA Cc1ccc(N2CCC[C@H](NC(=O)[C@@H](C)OC[C@@H]3CCCCO3)C2)nn1 332888279 RTMGOIBHEPYAFY-IKGGRYGDSA-N 362.474 1.844 0 50 FDAA NC(=O)[C@H]1CCO[C@@H]1C1CCN(C(=O)c2cc(F)c(F)cc2F)CC1 284576487 NODMBVMTWOTBST-ZUZCIYMTSA-N 356.344 1.847 0 50 FDAA CN(CCc1ccccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C(C)(C)C)C(=O)[C@@H]13)O2 77300169 LAMVYPRYEMIOTJ-WCLQXYBISA-N 369.465 1.663 0 50 FDAA CCN(C(=O)c1cn(C/C=C/c2ccccc2)nn1)[C@H]1CCS(=O)(=O)C1 72133261 GFIQQVQJQKBEKQ-FSNWXROXSA-N 374.466 1.641 0 50 FDAA CN(C)CC(C)(C)CNc1ncc(S(C)(=O)=O)c([C@@H]2CCCNC2)n1 72473088 HACYWAFXNOVIKI-CYBMUJFWSA-N 369.535 1.347 0 50 FDAA CC(C)[C@H](C(=O)N1CCC[C@H](C(=O)O)C1)n1nnc(-c2ccccc2)n1 128559693 JNIGSHGWHGWTNQ-LSDHHAIUSA-N 357.414 1.860 0 50 FDAA Cc1cc(N)n(CC(=O)N2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)n1 77284825 OKXRUEFFCVFKDJ-IBGZPJMESA-N 359.474 1.415 0 50 FDAA Nc1nc(N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)c2nc[nH]c2n1 71405693 UBEKECCTGHZVIN-WDEREUQCSA-N 354.370 1.019 0 50 FDAA CCC[C@@H](C)N1CC2(CCN(C(=O)CCCNC(C)=O)CC2)OC1=O 77342774 DKENGFUWKXIBFA-CQSZACIVSA-N 353.463 1.905 0 50 FDAA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 35898211 JJZSZXFHCWNAEX-XHSDSOJGSA-N 364.442 1.283 0 50 FDAA CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@H]3[C@@H]3CCCO3)cc21 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COc1ccc(N2CCN(CC(C)(C)CN3CCOCC3)CC2=O)cc1 82099417 NBINKFQYOYMFLW-UHFFFAOYSA-N 361.486 1.702 0 50 FDAA O=C(NCCc1nc2ccccc2o1)c1cn(C[C@@H]2CCCNC2)nn1 426478886 JRYXEPODOHAAFM-CYBMUJFWSA-N 354.414 1.391 0 50 FDAA CN1CCCN(C[C@H]2C[C@H](CO)CN(Cc3nc4ccccc4[nH]3)C2)CC1 91493083 ZMDYYYKWEASIGR-MSOLQXFVSA-N 371.529 1.631 0 50 FDAA O=C(CN1CCOCC1)N1CCC[C@@H](c2nccn2Cc2cccnc2)C1 91288636 OCVGRGAOCZZAIM-GOSISDBHSA-N 369.469 1.365 0 50 FDAA CCn1c(Cn2cncn2)nnc1C1CCN(C(=O)c2ccccn2)CC1 91586686 KDWGNEDYFOEMLE-UHFFFAOYSA-N 366.429 1.353 0 50 FDAA CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccncc2)CN1C(=O)C1CC1 96164624 XVDMQYXKNQVVLB-HOTGVXAUSA-N 358.442 1.059 0 50 FDAA CN(CCC(C)(C)O)c1ncc(C(C)(C)C(=O)O)c(N2CCOCC2)n1 96152631 XRTKGQYMQIECFI-UHFFFAOYSA-N 366.462 1.273 0 50 FDAA CO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cccc(N3CCNC3=O)c1)CC2 92037560 IXDDXHSEBDAUDY-CVEARBPZSA-N 359.426 1.218 0 50 FDAA COCCN(C)C[C@@H]1CN(C(=O)c2cc3c(s2)CCCC3)C[C@@H]1CO 91440091 DLPBWUAZPMKQJR-HZPDHXFCSA-N 366.527 1.886 0 50 FDAA C[C@@H]1CN(C(=O)c2ccc(N3CC(=O)NC3=O)cc2)CC[C@@]1(O)C1CC1 91779878 SFTYRGRNOPIQPS-BLVKFPJESA-N 357.410 1.366 0 50 FDAA COCC(=O)N1C[C@H](C2CC2)[C@@H](NC(=O)c2c(C)oc3c2C(=O)CCC3)C1 95390509 QIVYIRZCJHCCFO-KGLIPLIRSA-N 374.437 1.720 0 50 FDAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)N(S(=O)(=O)c1ccccc1)C2 91350668 HWWQYEAYWLECAH-LSDHHAIUSA-N 372.450 1.402 0 50 FDAA Cc1nnc(SCCCNC(=O)c2cnc3ccccn3c2=O)s1 97813891 COHMRTKKXCHBIF-UHFFFAOYSA-N 361.452 1.767 0 50 FDAA Cc1nc(C)c(CC(=O)N[C@@H](Cc2ccncc2)[C@H]2C[C@@H](O)C2)c(O)n1 253535310 SJTNDMJGGGLLSM-UXLLHSPISA-N 356.426 1.235 0 50 FDAA CN1C[C@]2(CCCN(C(=O)c3ccc(N4CCCC4=O)cc3)C2)OC1=O 252483243 DXXXENBBOPJYFW-IBGZPJMESA-N 357.410 1.870 0 50 FDAA Nc1ccnc(-c2cccc(C(=O)N3CCC(N4CCOCC4)CC3)c2)n1 534657459 CUTGKKTUHIXZSJ-UHFFFAOYSA-N 367.453 1.663 0 50 FDAA CCN(Cc1cccc(C(=O)Nc2c(C)cnn2C)c1)[C@H]1COC[C@@H]1O 65386162 BOXUCMSMLMEAEB-IRXDYDNUSA-N 358.442 1.562 0 50 FDAA O=C(NCc1cc(-c2ccc(Cl)cc2)no1)NC[C@]1(O)CCCNC1 828031993 FAVGPJSOESMLFW-KRWDZBQOSA-N 364.833 1.909 0 50 FDAA CC1(C)SC[C@@H](C(=O)NCc2csc(-c3cnccn3)n2)NC1=O 827776330 FHAXRWVBHZRTKW-NSHDSACASA-N 363.468 1.227 0 50 FDAA Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)NCCc2nc(C3CC3)no2)C1 584888202 ATZJVFYLEXXGSG-CYBMUJFWSA-N 372.429 1.528 0 50 FDAA CN(C)[C@H](c1nc(-c2cccc(N3CCNC3=O)c2)no1)c1cncn1C 1875283791 ATEXKLJMSJEZKW-HNNXBMFYSA-N 367.413 1.651 0 50 FDAA CCN(C)[C@@H]1CCN(C(=O)c2ccc(NS(=O)(=O)C3CC3)cc2)C1 1875296503 ZWRFJKYOSGLTGF-OAHLLOKOSA-N 351.472 1.757 0 50 FDAA CN1CCN(CCN=c2ccc(-n3ccnc3)n[nH]2)[C@H](c2ccccc2)C1 1875257477 OVYSZRBLWFUGQV-SFHVURJKSA-N 363.469 1.485 0 50 FDAA C=CC(=O)N1CCCc2cc(C(=O)N(C)[C@@H](C)CS(C)(=O)=O)ccc21 1875302914 MYRLRJCPIAEROQ-ZDUSSCGKSA-N 364.467 1.657 0 50 FDAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cc(C4CC4)n[nH]3)C2)n1 1875397210 PQLJCZKVNKOYEG-CQSZACIVSA-N 369.473 1.422 0 50 FDAA CS(=O)(=O)c1cc(CNC(=O)Nc2ccc(C(N)=O)c(F)c2)ccn1 1875305289 ORLPZFWRGNMVSV-UHFFFAOYSA-N 366.374 1.045 0 50 FDAA O=C(Cn1ncc(=O)c2ccccc21)NCCc1ccc(N2CCC2)nc1 1875302133 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COc1ccc(C(=O)NC[C@@H]2OCCN(C)[C@H]2c2ccnn2C)c(C)c1 886079322 RTNLOWWODSAZIP-ROUUACIJSA-N 358.442 1.539 0 50 FDAA CC(=O)N1C[C@H](NC(=O)c2cccc(C(N)=O)c2)CC[C@@H]1C(F)(F)F 886039585 WSPODIDOJWHQGN-CHWSQXEVSA-N 357.332 1.457 0 50 FDAA CCNc1ncc(C(=O)N[C@H]2COCC[C@@H]2OCc2ccccn2)cn1 1565525707 IDBSCTUXDBMTMV-HOTGVXAUSA-N 357.414 1.408 0 50 FDAA COc1cccc([C@@H](NS(=O)(=O)c2cnn(C(C)C)c2)C(=O)O)c1 275343262 VMYKIOVRUJXDBC-CQSZACIVSA-N 353.400 1.577 0 50 FDAA Cn1ccnc(N2CCC[C@@H](NC3CCN(c4ccccn4)CC3)C2)c1=O 275627764 SCNPDMBHFKBARR-QGZVFWFLSA-N 368.485 1.403 0 50 FDAA CN(C(=O)c1ccc2nnn(C)c2c1)[C@H]1CCN(Cc2ccccc2)C1=O 189744133 ZJZOEMLECHGEKB-KRWDZBQOSA-N 363.421 1.841 0 50 FDAA CCOc1ncccc1C(=O)N1CCCN(C(=O)c2cnccn2)CC1 1704336668 ITHNVWBMOBQDQJ-UHFFFAOYSA-N 355.398 1.259 0 50 FDAA COc1ccc(F)c(F)c1C(=O)N1C[C@@H](O)[C@H](Cc2cc(C)[nH]n2)C1 1704280009 HDUGOEVQSZVCQA-ZWNOBZJWSA-N 351.353 1.681 0 50 FDAA COc1c(F)cccc1C(=O)N1CCCN(C(=O)[C@H](C)n2cccn2)CC1 1772701323 NPPYUKPZCUHGON-AWEZNQCLSA-N 374.416 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368.409 1.281 0 50 FDAA COc1ccccc1Cn1nc(CC(N)=O)nc1-c1ccnn1C(C)C 2356161806 KSZKDEBORHZKPB-UHFFFAOYSA-N 354.414 1.807 0 50 FDAA COc1ccc(CN2CCN(c3cc(C)nc(N)n3)C[C@H]2CCO)cc1C 107003371 KGOXKVAEBBUSME-QGZVFWFLSA-N 371.485 1.757 0 50 FDAA O=C(CN1CCC[C@@H](O)C1)N1CCCN(C2Cc3ccccc3C2)CC1 106952378 FVXAOQYDWVGBQW-HXUWFJFHSA-N 357.498 1.145 0 50 FDAA Cc1nn(C)c(C)c1[C@H]1[C@H](N=c2nc(C(C)(C)C)[nH]s2)CC(=O)N1C 328613647 SYHVFQREDQNEMH-BXUZGUMPSA-N 362.503 1.992 0 50 FDAA Cc1cc(C)n(-c2cc(NCCNC(=O)c3snnc3C)ncn2)n1 67603549 QNBQPNOSMAAEKV-UHFFFAOYSA-N 358.431 1.281 0 50 FDAA CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2-c2nnn[nH]2)C1 20206601 VUSFPAXQKLDNAM-CYBMUJFWSA-N 356.430 1.587 0 50 FDAA CN(CCCn1ccnc1)C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1 328652631 WNSXPHAXFGMADS-HOTGVXAUSA-N 361.469 1.678 0 50 FDAA CC(=O)c1cc(CN2CCN(C3CCN(C)CC3)[C@@H](CCO)C2)cs1 23374060 IMWKMCGCAJCXJH-SFHVURJKSA-N 365.543 1.914 0 50 FDAA C[C@H]1CN(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CC[S@](=O)C1 330338085 UXSDTGXDYPXTHY-VDBVYFBLSA-N 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351.428 1.554 0 50 FDAA O=C(CN1CCOC1=O)N1CCC(c2nccn2Cc2ccncc2)CC1 91997880 JBHQKNDPHVJQDU-UHFFFAOYSA-N 369.425 1.485 0 50 FDAA O=C(NC1CCC1)c1cccc(S(=O)(=O)NC[C@@H]2CCCCO2)c1 95356042 BZRLFBHAWVXZQW-HNNXBMFYSA-N 352.456 1.816 0 50 FDAA CC(C)=CCN1CCN(Cc2nncn2C(C)C)[C@H]2CS(=O)(=O)C[C@H]21 95517212 RIMJLQQHAHHPSX-CVEARBPZSA-N 367.519 1.108 0 50 FDAA CC(=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 239235755 WPXOSXRZINNFBH-UPHDCGPKSA-N 365.385 1.848 0 50 FDAA COCc1nc2n(n1)C[C@@H](NC(=O)c1cc(OCC(F)F)ccn1)CC2 182191809 JCJCEYGDNXOEIT-JTQLQIEISA-N 367.356 1.208 0 50 FDAA CCN1CCNC(=O)[C@@H]1CC(=O)N1CC(Oc2ccccc2Cl)C1 91819079 YPXDMVGWJSEIGK-AWEZNQCLSA-N 351.834 1.140 0 50 FDAA CN1CCN(C[C@@H]2CN(C(=O)Cc3ccc(Cl)cc3)C[C@@H]2CO)CC1 95386302 GSDGOUBMBSEGSL-IAGOWNOFSA-N 365.905 1.197 0 50 FDAA O=C(Cc1nc2ccccc2[nH]1)N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 243900901 AXKHJQOLTRMGLO-DAYGRLMNSA-N 350.422 1.999 0 50 FDAA CN1N=C(C(=O)N[C@@H](c2ccc(F)cc2F)[C@H]2C[C@H](O)C2)CCC1=O 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O=C(CCCn1cnnn1)NCc1ccc(C(=O)N2CCCCC2)cc1 299799254 FAFCUIQJTRXRBG-UHFFFAOYSA-N 356.430 1.396 0 50 FDAA CO[C@@]12CC[C@H](OCCO)C[C@@H]1N(CCCn1nc(C)cc1C)CC2 299791787 CWKONCNOGVIUEQ-GBESFXJTSA-N 351.491 1.911 0 50 FDAA O=C(Cn1cccc1)N1CCOC2(CCN(C(=O)c3cscn3)CC2)C1 827969335 AZKWIWPKAOWJFY-UHFFFAOYSA-N 374.466 1.478 0 50 FDAA Cc1nc2ncccn2c1C(=O)N[C@@H]1CCCN(C(=O)c2ccco2)C1 828133744 YXKKUFFJFYFPEE-CYBMUJFWSA-N 353.382 1.665 0 50 FDAA COCCN1CC[C@@H](CNS(=O)(=O)Cc2ccc(Cl)cc2F)C1 670453924 FWHUQRMETYZECU-LBPRGKRZSA-N 364.870 1.867 0 50 FDAA CCc1nccn1CCCNS(=O)(=O)c1cccc2nsnc12 670444049 JFOJMMCDTLWPHA-UHFFFAOYSA-N 351.457 1.819 0 50 FDAA CCN1C(=O)CC[C@H](CNc2nccn(CC)c2=O)[C@H]1c1nccn1C 952852541 FUQWHOWWIQIFRD-HIFRSBDPSA-N 358.446 1.408 0 50 FDAA C[C@@H](NC(=O)c1csc(=N)[nH]1)C1CCN(C(=O)[C@@H]2CCCO2)CC1 1875344841 NMICEYQDFIPJAW-MFKMUULPSA-N 352.460 1.092 0 50 FDAA O=S(=O)(NCc1n[nH]cc1Br)N1Cc2ccccc2C1 1875316794 GXHQMWYUZLWIPY-UHFFFAOYSA-N 357.233 1.522 0 50 FDAA C[C@@H](OCC1CC1)C(=O)NC[C@@H]1CCN1C(=O)c1ccc(N(C)C)cc1 1875349569 BSVPZSAMOAICFB-KDOFPFPSSA-N 359.470 1.898 0 50 FDAA CN(C)c1cc(NC(=O)N2CC[C@@H](C3CC3)[C@@H]2c2nnc(O)n2C)ccn1 1875401359 VTWXRJCMHAUMTA-DZGCQCFKSA-N 371.445 1.987 0 50 FDAA O=C(c1c[nH]nc1-n1cnnn1)N(Cc1ccco1)Cc1cccs1 952974220 JBPQPBYVJYKQAD-UHFFFAOYSA-N 355.383 1.883 0 50 FDAA COc1ncccc1C(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1cnccn1)C2 1565512588 DWVBKFWKRQMHSG-KGLIPLIRSA-N 367.409 1.257 0 50 FDAA Cc1cccc(=O)n1CCC(=O)N[C@H]1COCC[C@@H]1Oc1ccccn1 1565509834 KVESENSJYKDHIZ-HOTGVXAUSA-N 357.410 1.295 0 50 FDAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cc(=O)c3ccccc3o1)C2 1073314342 AKELIVYNNDITRR-KGLIPLIRSA-N 370.405 1.502 0 50 FDAA COC(=O)c1cn(-c2cccc(NC(=O)N[C@@H]3CCCN[C@@H]3C)c2)nn1 415669273 FTNNRRCZDKXPQI-BXUZGUMPSA-N 358.402 1.316 0 50 FDAA O=c1cc(Cn2c(-c3cnccn3)noc2=O)c2cc3c(cc2o1)CCC3 726118542 DDJNJBOTGMBTQG-UHFFFAOYSA-N 362.345 1.937 0 50 FDAA CCN(Cc1nc(C(C)C)no1)S(=O)(=O)c1ccc(O)c(C(=O)O)c1 1506398103 GNIYZZKMXBYZKO-UHFFFAOYSA-N 369.399 1.808 0 50 FDAA C[C@@H](O)c1nc2ccc(NC(=O)c3cn([C@H]4CC[C@@H](N)CC4)nn3)cc2[nH]1 1506404860 VSQXBULWAFVLOH-WZRBSPASSA-N 369.429 1.902 0 50 FDAA CNC(=O)Cn1cc(NC(=O)c2cnc(-c3cccnc3)nc2C)cn1 1506431638 SYGWYBPFBITNID-UHFFFAOYSA-N 351.370 1.042 0 50 FDAA CCC[C@H]1COC[C@H]2CN(C(=O)c3scc4c3OCCO4)CCN12 1529190685 MBTHXFCVUFDODW-QWHCGFSZSA-N 352.456 1.845 0 50 FDAA O=C(CCCc1cn[nH]c1)N1CCCN(C(=O)C[C@H]2CCCOC2)CC1 1529126040 PTCONDWCNPOOEW-MRXNPFEDSA-N 362.474 1.610 0 50 FDAA Cc1cc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c2c(C)nn(C)c2n1 1704280006 GFEFNGDGAYBJFE-WBVHZDCISA-N 365.437 1.968 0 50 FDAA CC(C)C(=O)NCC(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12 1704346971 DNWLDUFUZZGNDD-CRAIPNDOSA-N 355.438 1.681 0 50 FDAA O[C@@H]1C[C@@H]2CN(Cc3cccc(OCCCN4CCOCC4)c3)C[C@@H]2C1 1800413433 HKHWLHMIUOAWAE-ACDBMABISA-N 360.498 1.990 0 50 FDAA CC(C)(CN1CCCN(C(=O)C[C@H]2CCCOC2)CC1)N1CCOCC1 1775980571 CXOVFFHMDUOBTJ-GOSISDBHSA-N 367.534 1.448 0 50 FDAA COc1cccc(CN2CCc3nnc(CCNC(=O)C(C)C)n3CC2)c1 12003404 FRKSDFGGGYLOKG-UHFFFAOYSA-N 371.485 1.660 0 50 FDAA Cc1ccnn1CCC(=O)N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 12455312 XCKYKSKXXSLUOH-QGZVFWFLSA-N 358.417 1.681 0 50 FDAA Cc1ccoc1C(=O)NC[C@H]1[C@H]2CN(C3CCN(C)CC3)C[C@]23CC[C@H]1O3 1857721134 AMJIJNGJZRKSAR-XKGFGPFHSA-N 373.497 1.891 0 50 FDAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)[C@H]1CC[C@@H](N)[C@H](O)C1)CC2 1857735187 LWHFTQWNPDPPIQ-KVSKMBFKSA-N 368.481 1.503 0 50 FDAA Cc1cccc2ncc(C(=O)N[C@@H]3COC[C@H]3Cc3ccncc3)c(=O)n12 1875247778 SANRYDHZJRBJRF-NVXWUHKLSA-N 364.405 1.385 0 50 FDAA O=C(Cc1csc(N2CCCNC2=O)n1)N1CCO[C@@H](C(F)F)C1 225757144 NQLZCMKXBZZHMM-SNVBAGLBSA-N 360.386 1.098 0 50 FDAA O[C@H]1CC[C@H]2CN(c3nc(N4C[C@H]5CC[C@@H](O)[C@H]5C4)ncc3Cl)C[C@@H]12 329671369 UCMGIVWAPKUKHE-KQDIHMBZSA-N 364.877 1.544 0 50 FDAA C[C@H]1C(=O)NCCN1C(=O)c1cn(-c2ccc(Br)cc2)cn1 128926120 NIOIZQNIOAJODI-JTQLQIEISA-N 363.215 1.595 0 50 FDAA COc1ccc(S(=O)(=O)N2CC(NC(=O)N3CCC(C)(C)C3)C2)cc1 239367132 AHQNIKJUPJDKAM-UHFFFAOYSA-N 367.471 1.510 0 50 FDAA CN(CC(=O)N1C[C@@H]2CC[C@H]1CN(C1CCOCC1)C2)Cc1cccnc1 248128778 PQXUWPZSWSBGIK-QUCCMNQESA-N 372.513 1.615 0 50 FDAA Cc1ccccc1CN1CCCN(C(=O)CN2CCCC[C@H]2C(N)=O)CC1 249733236 UWQQCOXKJSLBGZ-IBGZPJMESA-N 372.513 1.369 0 50 FDAA CNC(=O)C[C@@H]1CS(=O)(=O)CCN1Cc1ccccc1CC(C)C 930800247 SNGAYTQXVNIYLJ-QGZVFWFLSA-N 352.500 1.620 0 50 FDAA CCC1(Cn2cc(C(=O)N3CCSC(C)(C)[C@@H]3CO)nn2)COC1 2325810760 BYCXLSSMXPINOH-ZDUSSCGKSA-N 354.476 1.033 0 50 FDAA C[C@@H](O)c1cn(CCC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)nn1 2325869450 OLIQQISYNLLOOS-CYBMUJFWSA-N 366.425 1.914 0 50 FDAA C=CC(=O)N1CCC(C(=O)N2CCCc3cc(C(=O)OC)cnc32)CC1 2325893079 FMDVEUJRCRXDHC-UHFFFAOYSA-N 357.410 1.572 0 50 FDAA C=CC(=O)Nc1cccc(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)c1 866323302 LYTVTRBRKGLZHL-MRXNPFEDSA-N 357.410 1.321 0 50 FDAA COc1ccc(C(F)(F)C(=O)N[C@@H](CO)[C@H](O)c2cccnc2)cc1 913564653 DLFRBGMEFKPNOV-LSDHHAIUSA-N 352.337 1.393 0 50 FDAA O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc2c(c1)OCCO2 802855 MBVMKFVQGGAPBW-UHFFFAOYSA-N 374.374 1.241 0 50 FDAA O=S(=O)(Cc1ccccc1Cl)N1CCN(c2ncccn2)CC1 1141052 LJTMPIUVNJEEJV-UHFFFAOYSA-N 352.847 1.782 0 50 FDAA COC(=O)c1ccccc1NC(=O)CNS(=O)(=O)c1ccc(C)cc1 1147840 CFMXVSVHHOPDLC-UHFFFAOYSA-N 362.407 1.699 0 50 FDAA O=C(c1ccncc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 4750413 JRNXNPLFAWJLSZ-UHFFFAOYSA-N 371.871 1.943 0 50 FDAA O=C(NCc1ccccn1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 7765605 UTTRQLGHTOTUQF-UHFFFAOYSA-N 361.423 1.033 0 50 FDAA CN(Cc1nc(-c2cccnc2)no1)c1nccc(N2CCC[C@@H](O)C2)n1 106263272 WOXGFNIHTILYGJ-CQSZACIVSA-N 367.413 1.519 0 50 FDAA O=C(NCc1ccoc1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 53038251 FYDPDBBSAMHICT-HNNXBMFYSA-N 364.423 1.667 0 50 FDAA O=C1CN(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)CCN1 54394114 JWVWUOQESWJQPW-UHFFFAOYSA-N 350.850 1.446 0 50 FDAA O=C(N[C@@H]1CCSC1=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 59745897 XPJZCTADXMIAQO-TZMCWYRMSA-N 350.415 1.826 0 50 FDAA CN(CC(=O)N1CCN=C1O)C[C@@H]1C[C@H](F)CN1Cc1cccs1 328654243 XIIJLMNNPFGJKC-STQMWFEESA-N 354.451 1.349 0 50 FDAA COc1ccc(F)c(CN2CCC[C@](O)(CN(C)CCCO)C2=O)c1 67847227 MOJDAZDBRUHABM-SFHVURJKSA-N 354.422 1.002 0 50 FDAA CC(C)c1noc([C@@]2(O)CCN(S(=O)(=O)Cc3ccccc3)C2)n1 328609785 FUMDDSIGOMRJDY-MRXNPFEDSA-N 351.428 1.616 0 50 FDAA CCOc1ccc(NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3nc2C)cc1 67630401 OGSVSFHMAUMIFN-UHFFFAOYSA-N 368.393 1.592 0 50 FDAA O=C1CN(C(=O)[C@@H]2CCc3[nH]nnc3C2)CCN1Cc1ccc(Cl)cc1 283016428 JMTKMAVANGVLHE-CYBMUJFWSA-N 373.844 1.434 0 50 FDAA CCN1CCN(C2(C(=O)N3CCC(OC)CC3)Cc3ccccc3C2)CC1 20601627 DCQNPXOPBKUMCN-UHFFFAOYSA-N 371.525 1.799 0 50 FDAA CCN1C[C@@H](CN(C)c2nc3nonc3nc2N2CCCCC2)CC1=O 12030785 LDZJYRGBGPWXEV-GFCCVEGCSA-N 359.434 1.308 0 50 FDAA COc1ccc2c(c1)OC(C)(C)CN(C(=O)Nc1nccn(C)c1=O)C2 333884750 VNLBUVFBFNTIHI-UHFFFAOYSA-N 358.398 1.994 0 50 FDAA COc1ccnc(N2CCN(C(=O)NCCc3ncc(C)s3)CC2)c1 173614654 NIWILGHJWDLEOW-UHFFFAOYSA-N 361.471 1.929 0 50 FDAA NC(=O)[C@H](NC(=O)CCCc1ccc2c(c1)CC(=O)N2)c1ccc(F)cc1 131984811 NDDTUYHPEBQDJG-LJQANCHMSA-N 369.396 1.986 0 50 FDAA CC(=O)N1CCc2cc(C(=O)N3CC[C@@H](CN4CCOCC4)C3)ccc21 174200404 UDQMMDAZYABEFF-INIZCTEOSA-N 357.454 1.390 0 50 FDAA Cc1nn(C)c(C(=O)N(Cc2cccnc2)C[C@@H]2CCC(=O)N2)c1Cl 216538288 WYGDGHOPTPMQBK-ZDUSSCGKSA-N 361.833 1.698 0 50 FDAA COc1ccc2[nH]nc(CN3CCC[C@@]4(CCC(=O)N(CCO)C4)C3)c2c1 77469972 LYEGZGHVEZHLDS-HXUWFJFHSA-N 372.469 1.768 0 50 FDAA Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@@H]1CN(C)Cc2ccccc21 367008908 ZZFWYABASDXJPD-MRXNPFEDSA-N 351.410 1.176 0 50 FDAA O=C([C@H]1CCS(=O)(=O)c2ccccc21)N1CCN(c2cnccn2)CC1 285620435 WXGBJDHVWNASHA-HNNXBMFYSA-N 372.450 1.086 0 50 FDAA CN(C)Cc1nnc([C@H]2CCCN(C(=O)c3ccc(Cl)cn3)C2)n1C 72475741 GCRANVFCQXAKEP-LBPRGKRZSA-N 362.865 1.945 0 50 FDAA Cc1nc(C)n(C[C@@H]2CCCN2C(=O)Cn2c(=O)n(C)c3ccccc32)n1 370986090 QLZLYYUCRSAPMP-HNNXBMFYSA-N 368.441 1.240 0 50 FDAA O=C(NCCF)c1cccc(S(=O)(=O)N[C@H]2COC3(CCCC3)C2)c1 215406778 LAPHLXDXKOHORY-CQSZACIVSA-N 370.446 1.766 0 50 FDAA CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-n2cccn2)cc1 77288021 KDRMXLQWAZAWMI-CQSZACIVSA-N 369.468 1.070 0 50 FDAA CC(C)(C)n1[nH]cnc1=NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 374993267 FAHYHZIJDDYLHX-MRVPVSSYSA-N 356.352 1.941 0 50 FDAA Cc1ncccc1O[C@H]1CCN(Cc2nnnn2CC2CCOCC2)C1 375728665 BCKYAWQEEOYSCS-INIZCTEOSA-N 358.446 1.456 0 50 FDAA CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1cc(-c2cccc(F)c2)no1 219702728 RBRGVXGECKMRMV-HNNXBMFYSA-N 367.402 1.521 0 50 FDAA COCCCn1cnnc1[C@@H](C)NC(=O)c1cccc(-n2nnnc2C)c1 215566905 ZBYRHVOSYGKQSR-GFCCVEGCSA-N 370.417 1.090 0 50 FDAA CN(C)CCn1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O 40391374 CLWZOERAOTXBIF-UHFFFAOYSA-N 352.373 1.807 0 50 FDAA Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)[nH]n1 175317550 LFBCXXQYAPXLDE-SJLPKXTDSA-N 351.410 1.815 0 50 FDAA Cc1ccccc1C(=O)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 72438058 DKUHRINRAYFSOC-UHFFFAOYSA-N 367.453 1.584 0 50 FDAA CCC[C@@H]1CN(S(=O)(=O)c2ccc(OC)c(OC)c2)C[C@H]1NC(C)=O 82099039 BMOMOYJHDIIUPL-UKRRQHHQSA-N 370.471 1.629 0 50 FDAA CCN1CCC[C@@H]1CNC(=O)c1ccc(-c2cc(OC)nc(N)n2)cc1 426684538 RJFZAGSPWOVUAP-OAHLLOKOSA-N 355.442 1.949 0 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COc1ccc([C@H](NC(=O)CN(C)Cc2ccccn2)[C@H]2C[C@@H](O)C2)cn1 252536690 JEAFGMYZUHGNHD-VPWXQRGCSA-N 370.453 1.545 0 50 FDAA CC1(C)Cc2cc(CN3CC[C@@H](N4CCC(O)CC4)[C@H](O)C3)ccc2O1 42453731 WYWMYTCXNUYUOX-RTBURBONSA-N 360.498 1.792 0 50 FDAA COCCN(C)C(=O)C[C@]1(c2ccccc2C)CC(=O)N(C2CC2)C1=O 299763396 VOAZOUGYHSKBKL-HXUWFJFHSA-N 358.438 1.649 0 50 FDAA COc1ncccc1C(=O)NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2 299765708 CANSSPHOGHSYDJ-UHFFFAOYSA-N 369.425 1.359 0 50 FDAA COc1ccc(C(=O)N(Cc2ccncc2)C[C@@H]2CCC(=O)N2)c(OC)n1 299755269 FBAXFUUJMHTVGE-AWEZNQCLSA-N 370.409 1.415 0 50 FDAA Cc1sc2nc(CCNC(=O)CCc3nncn3C)nc(O)c2c1C 299800602 UKAQZIKLIWFFDF-UHFFFAOYSA-N 360.443 1.434 0 50 FDAA O=C(CCCN1CCCC1)NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2 299771724 VXPAFEGGEPMBSO-UHFFFAOYSA-N 373.501 1.518 0 50 FDAA Cc1cnc2c(C(=O)NC[C@H]3CCCN(Cc4noc(C)n4)C3)cnn2c1 825306456 FCXYSWHXCAVUPL-CQSZACIVSA-N 369.429 1.371 0 50 FDAA COc1cccc(OC[C@@H](O)CNC(=O)NC2(C(=O)O)CCCC2)c1 670452425 IUWUZQPESDFXBI-LBPRGKRZSA-N 352.387 1.132 0 50 FDAA CC[C@]1(O)CCCN(S(=O)(=O)c2cc(CC(=O)O)ccc2OC)C1 670437712 HCTFUOAEBNOPON-INIZCTEOSA-N 357.428 1.248 0 50 FDAA CN1CCN(C(=O)C(=O)NC[C@@]23CC=C[C@@H](C2)OC3)[C@H](c2ccccc2)C1 1875293592 WGINMDMHWJYONE-BBTUJRGHSA-N 369.465 1.353 0 50 FDAA O=C1CCC[C@H]2CN(C(=O)Cn3nc(C(F)(F)F)c4c3CCC4)C[C@H]2N1 1875297216 HIULIKGRGONCBM-CMPLNLGQSA-N 370.375 1.518 0 50 FDAA Cc1nccnc1N1CCN(C(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)CC1 1875395529 ZSZLLELUNZGDGY-YPMHNXCESA-N 356.430 1.493 0 50 FDAA C=CC(=O)N1CCC(C(=O)NCc2ccc(C(=O)OC)c(OC)c2)CC1 1875362985 JDHQMSIHPLHXAH-UHFFFAOYSA-N 360.410 1.523 0 50 FDAA Cc1cc(OCC(=O)NC(N)=O)ccc1NC(=O)c1cc[nH]c2nccc1-2 1875303256 IIRYBEABKDBFBK-UHFFFAOYSA-N 367.365 1.649 0 50 FDAA CON1CCC(CC(=O)NS(=O)(=O)c2cc(F)c(C)cc2F)CC1 1875313370 PRNCZMRGUSAYPV-UHFFFAOYSA-N 362.398 1.742 0 50 FDAA C=CC(=O)N[C@H]1COCC[C@H]1NC(=O)Cc1cccc2ccc(OC)cc12 1875383160 JHLRZMWVMOVXRD-MOPGFXCFSA-N 368.433 1.967 0 50 FDAA CN(C[C@@H]1CCN(C(=O)c2ccc3c(c2)CCOC3)C1)[C@H]1CCNC1=O 1875407959 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CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C1(c2ccccc2)CCCCC1 1565506440 UAMBDIFNVXYCNU-HOTGVXAUSA-N 351.468 1.817 0 50 FDAA COC(=O)[C@@H](C)Cc1ccc(NC(=O)C(=O)NCCn2ccnc2C)cc1 273511332 DJWXMVUELSOGKF-ZDUSSCGKSA-N 372.425 1.298 0 50 FDAA COC(=O)C1(NC(=O)c2cc(Br)c(Br)[nH]2)CC1 170613534 XVSSRMQJDGDNDM-UHFFFAOYSA-N 366.009 1.975 0 50 FDAA Cn1c(=O)sc2cc(CNC[C@@H]3COC4(CCOCC4)O3)ccc21 192671069 PBMWDHCNBQPQQH-CYBMUJFWSA-N 350.440 1.612 0 50 FDAA N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(OC2CCOCC2)c(F)c1 193239745 SYXJZOLUDORAAH-HZPDHXFCSA-N 372.462 1.932 0 50 FDAA COc1ccc(CNC(=O)CN(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)cc1OC 1529118606 NJEDPUGFTLKDPE-WNKDZCFJSA-N 362.470 1.801 0 50 FDAA Cc1ccc(OCC(=O)N2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)cc1C 1704345517 ZBBJULFUKDRYNS-RBUKOAKNSA-N 363.454 1.576 0 50 FDAA CN(Cc1ccon1)C[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O 11879624 AKYVEGZQJLYDKT-SFHVURJKSA-N 365.380 1.938 0 50 FDAA COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCC(F)(F)F 12297308 PYTIVBVIMVTIBK-LBPRGKRZSA-N 359.348 1.064 0 50 FDAA CN1CC(=O)N2CCN(C(=O)Oc3cccc4ccccc34)C[C@@H]2C1=O 14532907 WIWLOYZNECXQHL-OAHLLOKOSA-N 353.378 1.323 0 50 FDAA O=C1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCN(Cc3ccccc3)C[C@H]12 14755667 NGHNTWAZEYVMEY-RTBURBONSA-N 365.433 1.146 0 50 FDAA COC(=O)CNC(=O)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 15077383 XTIKPNYAPCENMK-LBPRGKRZSA-N 372.343 1.733 0 50 FDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCN(c4ncccc4F)CC3)n[nH]c21 1857529131 FGPCZJUGOQNTLS-NEPJUHHUSA-N 359.405 1.928 0 50 FDAA COc1ccc2[nH]c(=O)c(-c3nccn3C[C@H]3CN(C)CCN3C)cc2c1 1857687488 UCIXCQCPNHJLHN-OAHLLOKOSA-N 367.453 1.646 0 50 FDAA COc1ccc(-c2nc(CNC(=O)[C@H]3CNCCOC3)c(C)o2)cc1O 1857709401 VQZBOFVFFOUVJV-ZDUSSCGKSA-N 361.398 1.216 0 50 FDAA CCc1cnc(N2C[C@@H]3[C@H](CNC(=O)C4CCC4)[C@H]4CC[C@]3(C2)O4)nc1 1857738572 OGGUKRZQPYCBNL-TVKQPGBESA-N 356.470 1.939 0 50 FDAA CN1C(=O)[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccc(Cl)cn3c1F)C2 1875248995 COXHFTFINCNLBV-KOLCDFICSA-N 366.780 1.056 0 50 FDAA Cc1cc(S(=O)(=O)N[C@@H]2CCCN(c3ccnn3C)C2=O)c(C)o1 328614816 WYHZCGVOTUKLNU-GFCCVEGCSA-N 352.416 1.104 0 50 FDAA C[C@]1(O)C[C@H](C[C@]2(C)O[C@@H]2COc2ccc3ccc(=O)oc3c2)OC1=O 252586928 UMYAEKVHXDURJS-MDUILUSMSA-N 360.362 1.786 0 50 FDAA biogenic C[C@H](NC(=O)CN1C(=O)[C@@H](C)Oc2ccccc21)C(=O)N1CCCC[C@@H]1C 263813705 RQWRKKNDRQLLTL-SOUVJXGZSA-N 373.453 1.706 0 50 FDAA CCc1noc(COC2CN(C(=O)[C@H]3Cc4ccccc4C(=O)O3)C2)n1 818664679 GQFBGESFNYSKHF-CQSZACIVSA-N 357.366 1.141 0 50 FDAA COCC[S@](=O)Cc1cccc(NC(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1 860646225 FMRVTNVDQFDYMJ-WIBXPIJZSA-N 366.483 1.959 0 50 FDAA COC(=O)c1nc(-c2ccc(C)cc2)oc1S(=O)(=O)N1CCOCC1 1857798650 UOUXKDXIAZALQD-UHFFFAOYSA-N 366.395 1.458 0 50 FDAA O=C(NC1CCNCC1)c1cnc(N[C@@H]2CCC[C@]34OCC[C@H]3C[C@@H]24)nc1 2325798560 AICGDKOAQLTXCW-REGYPHIPSA-N 371.485 1.718 0 50 FDAA C[C@H](c1nnnn1C)N1CC[C@H](NC(=O)c2cn(C)c3ccccc23)C1 2325860619 NSXHBOBMTPEHCK-OLZOCXBDSA-N 353.430 1.267 0 50 FDAA C[C@@H]1C[C@H]1c1nc(CS(C)(=O)=O)nn1-c1ccc2c(=O)[nH]ccc2c1 2325875260 LLBJYKMYGSFFIZ-QMTHXVAHSA-N 358.423 1.777 0 50 FDAA CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(N)n(-c3ccccc3)n2)cc1 798571 VQVBWIKWWKBICY-UHFFFAOYSA-N 372.410 1.609 0 50 FDAA O=C(O)c1cc(C(=O)O)cc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)c1 1233556 ZCUTYLSQFUTKEX-UHFFFAOYSA-N 355.258 1.582 0 50 FDAA Cc1nccc(-c2ccccc2)c1C(=O)N1CCO[C@H](c2nnn(C)n2)C1 2356152053 OIJHRNHUVYYYKS-INIZCTEOSA-N 364.409 1.794 0 50 FDAA COCCN1CCC[C@]2(CCCN2Cc2nc(C(=O)OC)co2)C1=O 2356158794 ZRCMUMGNQPRFTI-KRWDZBQOSA-N 351.403 1.065 0 50 FDAA O=C(O)C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)O 4040674 MTYPLLWVQYHCDM-CQSZACIVSA-N 356.334 1.597 0 50 FDAA biogenic CNC(=O)Cn1nnc(-c2ccc(Br)cc2C(F)(F)F)n1 864097394 RMKRIWJFBFSZHI-UHFFFAOYSA-N 364.125 1.867 0 50 FDAA C[C@@H](C(=O)NCc1ccncc1)N(c1ccc(F)cc1)S(C)(=O)=O 7375344 AXIVIAFMZIAOQS-LBPRGKRZSA-N 351.403 1.692 0 50 FDAA CCC(=O)Nc1cccc(OCC(=O)NCCN2CCCC[C@@H]2CO)c1 55340757 MOSFPKJWYKKGHN-MRXNPFEDSA-N 363.458 1.377 0 50 FDAA CCOCc1cc(CN2CCc3n[nH]c(C(=O)NC)c3C2)ccc1OC 102541160 VEDUXYPOQOTEQI-UHFFFAOYSA-N 358.442 1.873 0 50 FDAA O=C1C[C@@H](N2CCC3(CC2)OCCO3)C(=O)N1c1ccc(Cl)cc1 9340557 YLAYWYSLLVRPJN-CQSZACIVSA-N 350.802 1.811 0 50 FDAA COC(=O)CNC(=O)Cn1nc(-c2cccc3ccccc23)ccc1=O 170625455 DAPDWAGWMFSIKZ-UHFFFAOYSA-N 351.362 1.353 0 50 FDAA CC(=O)N1CC[C@@H](CN(C)C(=O)CN2CCOc3ccc(Cl)cc32)C1 119588297 LKQMHBNPHDKHRH-AWEZNQCLSA-N 365.861 1.866 0 50 FDAA Cc1nn(C)c(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C(=O)O)c1C(F)F 424374429 ZBENMRIACIXFCT-OIBJUYFYSA-N 351.375 1.540 0 50 FDAA CCCc1ncc(C(=O)N2CCS(=O)(=O)C[C@H]2c2cnn(C)c2)s1 328618019 DGXLZDVULFIKNP-LBPRGKRZSA-N 368.484 1.441 0 50 FDAA Cc1cc(C)n([C@H](C)CC(=O)N2CCO[C@H](c3ccnc(N(C)C)n3)C2)n1 328765394 DYMTUBKOPNJYMF-WBVHZDCISA-N 372.473 1.907 0 50 FDAA CCn1cnnc1CN(C)c1nc(-c2ccccn2)nc2c1CCNCC2 65527351 OESVCUWYZWXOMC-UHFFFAOYSA-N 364.457 1.475 0 50 FDAA O=C(N[C@H]1CCCN(c2ncccn2)C1)[C@H]1CCCN(CC(F)(F)F)C1 249743845 LFGYJZXVUKXUOE-KBPBESRZSA-N 371.407 1.836 0 50 FDAA NC(=O)c1ccc(N2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)nc1 67920384 LTMYORIMFMTLIH-UHFFFAOYSA-N 364.409 1.439 0 50 FDAA Cc1nc2n(n1)CCN(C(=O)N=c1nc(-c3sccc3C)[nH]s1)C2 329945899 XNMLZYMTOCZRJK-UHFFFAOYSA-N 361.456 1.945 0 50 FDAA Cc1nc(C)c2c(n1)O[C@@H](CSc1nnc(CC3CCNCC3)n1C)C2 65372313 JFYALHVOCKSDIA-CQSZACIVSA-N 374.514 1.860 0 50 FDAA O=c1c2ccncc2ncn1Cc1noc([C@@H]2COc3ccccc3O2)n1 126418522 HINOCLGUAQOLMP-HNNXBMFYSA-N 363.333 1.735 0 50 FDAA Cn1cc(NC(=O)CC[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)cn1 170625628 LYEBEWZDMTZLRZ-HNNXBMFYSA-N 355.398 1.302 0 50 FDAA Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cnn(C)c3)CC2)sc1C 2730990 SPLAIVDWOYUBIF-UHFFFAOYSA-N 368.484 1.245 0 50 FDAA CSCCCN1CCC[C@H](c2nnc(CN3CCOCC3)n2C)C1 72434267 AJPWOIWCHJYZJP-HNNXBMFYSA-N 353.536 1.580 0 50 FDAA CCCCS(=O)(=O)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 38530330 LWDPYQNLSBZOIO-UHFFFAOYSA-N 367.519 1.719 0 50 FDAA CCS(=O)(=O)N1CCCn2nc(CN(C)Cc3nccs3)cc2C1 72438693 WGDZPNWVSDSZSZ-UHFFFAOYSA-N 369.516 1.527 0 50 FDAA Cn1nccc1[C@H]1[C@H](NCc2cnn3ccccc23)CC(=O)N1C1CC1 284706885 ZELFBLYOTOYOSL-DNVCBOLYSA-N 350.426 1.662 0 50 FDAA CN(Cc1cnccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CC(C)(C)C)C(=O)[C@H]13)O2 77506060 MTKJBDCCIFVOAS-ULMVMLMRSA-N 370.453 1.263 0 50 FDAA C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCN(C(=O)Cc2ccccc2)CC1 148703997 ZSRWBRIMUINLDJ-WMZOPIPTSA-N 360.454 1.484 0 50 FDAA CN(Cc1ccc(OCCCn2ccnc2)cc1)[C@@H]1CCS(=O)(=O)C1 215707528 WNEUUZPEBHDIDQ-QGZVFWFLSA-N 363.483 1.971 0 50 FDAA CCCCNC(=O)NC1(C(=O)N2CCC3(CC2)OCCO3)CCCC1 253426384 GCVINLRGNHUYIG-UHFFFAOYSA-N 353.463 1.764 0 50 FDAA O=C(NCCc1nc2c(s1)CCC2)[C@@H](c1ccccc1)n1cnnn1 219862235 RURJYYMBGGTMDP-MRXNPFEDSA-N 354.439 1.567 0 50 FDAA CCCC[C@H]1C(=O)N(C)CCN1S(=O)(=O)c1cccc(C(=O)NC)c1 77470398 MUSVLLZXLWIHQG-HNNXBMFYSA-N 367.471 1.068 0 50 FDAA Cn1cnc2cc(C(=O)N3CCCn4nc(CCC(=O)O)cc4C3)cnc21 72424032 NGGUAALJKOVHKD-UHFFFAOYSA-N 368.397 1.228 0 50 FDAA O=C1[C@@H](N2CCN(c3cnccn3)CC2)CCN1c1c(F)cccc1F 154363119 HSDQVCBURCMDMO-HNNXBMFYSA-N 359.380 1.682 0 50 FDAA OC[C@H]1CCCN1c1cc(N2CCC(Oc3cnccn3)CC2)ncn1 369690673 BQNNCVGVAJYSQM-CQSZACIVSA-N 356.430 1.276 0 50 FDAA O=C(NCC[C@@H]1CCNC1)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 262577992 KQKNOOYORRNLPM-ZFWWWQNUSA-N 359.426 1.136 0 50 FDAA O=C(Nc1cc(C(=O)N2CCC(O)(C(F)(F)F)CC2)ccn1)C1CC1 285895823 XUOOTJLMDVQGRX-UHFFFAOYSA-N 357.332 1.960 0 50 FDAA COCc1nn2c(ncc3c(=O)n(-n4cnnc4)ccc32)c1-c1ccccc1 40396440 VSELVYTWFLEQIL-UHFFFAOYSA-N 373.376 1.761 0 50 FDAA OCCO[C@H]1CCOC[C@H]1NC1CCN(c2ccc3c(c2)CCC3)CC1 220151874 TWGNWOPCXSYHMW-RTWAWAEBSA-N 360.498 1.900 0 50 FDAA Cc1nc(CN2CCN(C(=O)Cn3nc4ccccc4n3)CC2)cs1 221389587 SQMMUSQPPWNFFV-UHFFFAOYSA-N 356.455 1.541 0 50 FDAA Cn1cc([C@@H](NS(=O)(=O)c2ccccc2Cl)C2CC(O)C2)cn1 222335535 ICMXJUZFKGIIBO-QHAMSDLMSA-N 355.847 1.864 0 50 FDAA Cc1cc(F)ccc1-n1cc(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)nn1 179605212 FEESXIRHBWFMMP-HNNXBMFYSA-N 373.432 1.509 0 50 FDAA COCCN1CC[C@@H](CNC(=O)N2CCN(C(=O)c3ccccc3)CC2)C1 426518775 KZUSUAPGMUUOAM-KRWDZBQOSA-N 374.485 1.122 0 50 FDAA CC(C)[C@@H](NC(=O)c1nn(CCC[C@H](O)CF)c2ccccc12)C(N)=O 96024643 IEYDKWLGOBQFKU-SWLSCSKDSA-N 364.421 1.387 0 50 FDAA in-vitro CC(C)c1cc(C(=O)NCCc2noc([C@H]3CCCO3)n2)nc2ncnn12 91548550 DWFBCGKKBMZFIN-CYBMUJFWSA-N 371.401 1.455 0 50 FDAA COC(=O)c1cc(OCC2CCC2)cc(C(=O)N[C@H]2CCN(C)C2=O)c1 91846482 CJICPHWDIXICRN-INIZCTEOSA-N 360.410 1.613 0 50 FDAA O=C(NC1CC1)c1ccnc(N2CCN(Cc3cccc(F)c3)C(=O)C2)c1 95500309 UYRGJNGUFZTDOD-UHFFFAOYSA-N 368.412 1.962 0 50 FDAA Cc1ccc([C@H](C(=O)N2CCC(C(=O)N3CCOCC3)CC2)N(C)C)cc1 95358066 OSXDTXXSQCOJDC-LJQANCHMSA-N 373.497 1.695 0 50 FDAA CCN=c1cc[nH]c(-c2ccc(C(=O)N3CC[C@H](NC(C)=O)C3)cc2)n1 426423751 RPIZECRVQWASGX-INIZCTEOSA-N 353.426 1.348 0 50 FDAA CN1CCN(CC(=O)N[C@H](c2ccccc2)c2nccs2)C(C)(C)C1=O 268004722 DVFNXPBUWHRSFJ-MRXNPFEDSA-N 372.494 1.901 0 50 FDAA CCn1ccc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3cccc(OC)c3OC)C2)n1 91327177 YBVMOOINOLQNPC-UONOGXRCSA-N 373.409 1.861 0 50 FDAA CN[C@@H](C)C(=O)N1CCN(c2nc(C(C)C)cc(C(F)(F)F)n2)CC1 91712982 KJFKBWWTWOCCLN-NSHDSACASA-N 359.396 1.875 0 50 FDAA C[C@H]1CN(C[C@@H](O)c2ccc(F)cc2)CCN1c1nccn2cnnc12 269378813 UQZOJABVXGWQTF-XJKSGUPXSA-N 356.405 1.508 0 50 FDAA COC(=O)c1cc(OCC2CCC2)cc(C(=O)N2CCNC(=O)[C@H]2C)c1 92001669 GZLLQDNTUOGVBM-GFCCVEGCSA-N 360.410 1.613 0 50 FDAA O=C(O)CN(Cc1ccccc1)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 268893120 MDNMYZYMKFOLPG-HNNXBMFYSA-N 356.378 1.742 0 50 FDAA O=C(c1ccccc1-n1cncn1)N1CCCC[C@H]1CCN1CCOCC1 91707559 POHLWSMFGVLQBU-KRWDZBQOSA-N 369.469 1.984 0 50 FDAA Cc1ccc(CN2C[C@@H](C(=O)Nc3ccn(CC(=O)O)n3)CC2=O)cc1 268948165 XJNNJZBNDGJGCA-AWEZNQCLSA-N 356.382 1.263 0 50 FDAA Cc1cc2[nH]c(CN3CCc4nc[nH]c4[C@@H]3c3ccccn3)cc(=O)n2n1 334159673 HFFCLLBJCJFBDW-IBGZPJMESA-N 361.409 1.597 0 50 FDAA CCn1nc(C)c(CCNC(=O)C2CCN(C(=O)COC)CC2)c1C 95386976 MBHYKRGINDIHDZ-UHFFFAOYSA-N 350.463 1.064 0 50 FDAA Nc1nc(NCCNC(=O)c2ccccc2Cl)cc([C@H]2C[C@@H](N)C2)n1 243893650 ATALWTZBTFEXBY-PHIMTYICSA-N 360.849 1.759 0 50 FDAA O=C(N[C@H]1C[C@H](c2cc(N3CCCC3)ncn2)C1)c1n[nH]c2c1CCC2 244852678 UWQCSDGEVFUFOA-JOCQHMNTSA-N 352.442 1.965 0 50 FDAA Cn1cc([C@@H](Nc2nccc(N3CCC(O)CC3)n2)[C@H]2C[C@@H](O)C2)cn1 244852888 VBDDKBJPHFJILJ-MJEQTWJJSA-N 358.446 1.095 0 50 FDAA COc1cc(/C=C/C(=O)N2CCCC[C@H]2C(=O)O)ccc1OCC(N)=O 299372450 RGWFVTQRVREOKS-CFNZNRNTSA-N 362.382 1.038 0 50 FDAA CN(C)Cc1ccc(CNC(=O)N2CCN(C)C3(CCN(C)CC3)C2)cc1 534655220 PAOPVBRLYRHERS-UHFFFAOYSA-N 373.545 1.670 0 50 FDAA CCOC(=O)N1CCC(NC(=O)Nc2ccc3c(c2)oc(=O)n3C)CC1 264088557 ZICJYBGDALSWOD-UHFFFAOYSA-N 362.386 1.874 0 50 FDAA CCc1cc(N2CCC[C@@H](Cn3ccnc3)C2)nc(N2CCOCC2)n1 65430812 SJOPGQNGHDETCH-INIZCTEOSA-N 356.474 1.989 0 50 FDAA CC(C)CCN1CCNC(=O)[C@H]1CC(=O)N1CCc2[nH]nc(C3CC3)c2C1 72133947 GSASCAOBZYCTFL-QGZVFWFLSA-N 373.501 1.408 0 50 FDAA Cc1oc2c(c1C(=O)NC[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)CCC2 299797255 QGEGSXLGAIPMFZ-GFCCVEGCSA-N 368.455 1.508 0 50 FDAA Cc1nonc1CN1CCN(C(=O)CCc2n[nH]c3c2CCCC3)CC1 299802414 ZPEHAWLNQDBOMZ-UHFFFAOYSA-N 358.446 1.257 0 50 FDAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)Nc2ccc3c(c2)oc(=O)n3C)on1 299768343 UCAPELDOROLLQB-RISCZKNCSA-N 372.381 1.807 0 50 FDAA CSCC[C@H](NC(C)=O)C(=O)N1CCCN(Cc2ccncc2)CC1 299775000 JYGBPJUVMQTJQH-KRWDZBQOSA-N 364.515 1.374 0 50 FDAA COC1CCN(S(=O)(=O)N[C@H](Cn2cccn2)c2ccccc2)CC1 656915545 LTQNBGIFCMMPEU-QGZVFWFLSA-N 364.471 1.570 0 50 FDAA CC(=O)N1CCOC2(CCN(C(=O)Cc3nc4ccccc4o3)CC2)C1 827921423 VHNFUMUMRIZZBP-UHFFFAOYSA-N 357.410 1.610 0 50 FDAA CC1(C)SC[C@@H](C(=O)NCc2noc(-c3cccs3)n2)NC1=O 827776364 RSIQCHFTCCZEBO-QMMMGPOBSA-N 352.441 1.425 0 50 FDAA CCc1nnc(CN2CCOC3(CCN(Cc4ccccn4)CC3)C2)o1 823565298 SADBAOUZMGQVLU-UHFFFAOYSA-N 357.458 1.894 0 50 FDAA CCC(=O)N1CCC(NC(=O)N(CC)C[C@H](O)c2cccc(O)c2)CC1 584884469 MHRORXPUGKFHIY-KRWDZBQOSA-N 363.458 1.858 0 50 FDAA COc1ccc2[nH]c(CNS(=O)(=O)c3cccc4nn(C)nc34)cc2c1 670449159 MCBWNGUYNAZRRV-UHFFFAOYSA-N 371.422 1.937 0 50 FDAA Cc1noc([C@@H]2C[C@@H](O)[C@@H](CNC(=O)Cc3ccc4c(c3)CCO4)C2)n1 952886459 PGYIOCCEDNSHKC-ARFHVFGLSA-N 357.410 1.526 0 50 FDAA COCCC(=O)Nc1ccc(F)cc1C(=O)NC[C@H](O)[C@@H]1CCCO1 1875268672 SUBZYAGCLFKDTH-GJZGRUSLSA-N 354.378 1.070 0 50 FDAA CC[C@@H]1CN(C(=O)C(=O)N[C@H](Cc2ncc[nH]2)c2ccccc2)CC[C@H]1N 1875266189 VBPKVOLXRUOTAQ-DJIMGWMZSA-N 369.469 1.396 0 50 FDAA C=CC(=O)N1CCC(C(=O)N2CC[C@](O)(Cc3ccc(F)cc3)C2)CC1 1875369376 KTKDDBGWJGGZDD-FQEVSTJZSA-N 360.429 1.756 0 50 FDAA COCCc1nsc(N(C)[C@H](C)CNC(=O)c2ncoc2C2CC2)n1 1875313136 XLQBMZXUNZLAQW-SNVBAGLBSA-N 365.459 1.847 0 50 FDAA NC(=O)[C@@H]1C[C@@H]2C[C@@H](NC(=O)c3cc(C(F)(F)F)nn3C3CC3)[C@@H]2C1 1875319218 TXSRYCLFNYAXGP-YJFSRANCSA-N 356.348 1.867 0 50 FDAA O=C(N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O)c1cnc2nccn2c1 1875403264 RNVSPWBDYLWYFN-LERXQTSPSA-N 360.805 1.149 0 50 FDAA CC(C)Cc1cc(C(=O)NCc2nc(O)c3ccccc3n2)nc(O)n1 952982650 QJZTZEYMZMBAMS-UHFFFAOYSA-N 353.382 1.960 0 50 FDAA CC1(C)CN(c2ncnc3c2ncn3C[C@]2(O)CCOC2)[C@H]1[C@@H]1CCCO1 888097133 BRDYXWQUZFPLPC-ZUEVXXBESA-N 373.457 1.372 0 50 FDAA COCc1c(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccn2)noc1C 1565528080 HJDPZJPHZJAQOH-HOTGVXAUSA-N 361.398 1.629 0 50 FDAA O=C(Cc1cccc(O)c1)N[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1O 1565507890 NVBURDODHZFMPO-ROUUACIJSA-N 354.406 1.327 0 50 FDAA NC(=O)c1ccc(O[C@H]2CCOC[C@@H]2NC(=O)c2cc(Cl)c[nH]2)cc1 1565507820 BIQPODIAKURIJZ-GJZGRUSLSA-N 363.801 1.733 0 50 FDAA O[C@@H]1COCCN(CCCN2CCN(c3cccc(Cl)c3)CC2)C1 77376309 LOUFUXFCEDKGHT-SFHVURJKSA-N 353.894 1.545 0 50 FDAA NC(=O)c1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)o1 277467238 YTHHBVJMIZDDCE-OAHLLOKOSA-N 357.410 1.399 0 50 FDAA CC(C)Cc1nc(C(=O)NC[C@@H]2CCn3ncc(C(N)=O)c3C2)cs1 277489750 HMQBIHBTXIWDRP-LLVKDONJSA-N 361.471 1.629 0 50 FDAA CC1(C)CCN(C(=O)c2ccc(N3CCOC3=O)cc2)CCS1(=O)=O 170615542 HNZROWIOHZLPAT-UHFFFAOYSA-N 366.439 1.683 0 50 FDAA C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCN(C(=O)N(C)C)CC1(C)C 408124509 QGRNTHDKOXILRI-LSDHHAIUSA-N 355.479 1.565 0 50 FDAA O=C(c1ccccc1)N1CCC[C@@H](CS(=O)(=O)N2CCOCC2)C1 408525752 AQCVIEGDHCKUQO-OAHLLOKOSA-N 352.456 1.201 0 50 FDAA COC(=O)CNC(=O)c1ccc(NC(=O)c2nc(Cl)cs2)cc1 225715369 IAXCSINXQWQISF-UHFFFAOYSA-N 353.787 1.952 0 50 FDAA C[C@H](OC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)NCc1ccccn1 225856825 XFBZJDXZOYRKDV-KBPBESRZSA-N 371.393 1.271 0 50 FDAA Cc1ccc2nc(CCN3CCC4(CC3)N=C(N(C)C)NC4=O)[nH]c2c1 1506417072 NMLBUXZCWNIXNK-UHFFFAOYSA-N 354.458 1.296 0 50 FDAA COc1ccc([C@@H](C(=O)O)N2CCN(C)C3(CCN(C)CC3)C2)cc1F 1506399045 JRKKWEPLDQDCCB-KRWDZBQOSA-N 365.449 1.672 0 50 FDAA Cc1[nH]c(C(=O)O)c(C)c1C(=O)N1CCN(CC(C)C)[C@H](CCO)C1 1506426660 IRORQANQEHPUQQ-CQSZACIVSA-N 351.447 1.495 0 50 FDAA CCC[C@H]1CN(C(=O)c2ccc(CSC)o2)C[C@@H]1NS(C)(=O)=O 219610921 QWMBFQKWBTUVAD-AAEUAGOBSA-N 360.501 1.933 0 50 FDAA O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1C[C@H]2CNC[C@@]2(CO)C1 1772707023 VXJBPHHRJRDLJM-BEFAXECRSA-N 374.462 1.681 0 50 FDAA O=C1CO[C@@]2(CCN(C(=O)Cc3csc(-c4ccccc4)n3)C2)CN1 1772806846 KZHLMECUENJVQE-SFHVURJKSA-N 357.435 1.470 0 50 FDAA CCCNS(=O)(=O)c1ccc(C(=O)N2CCC(C3(O)CC3)CC2)cc1 1772817749 WFMBVGDCGCFHPF-UHFFFAOYSA-N 366.483 1.752 0 50 FDAA O=C1NCCN(Cc2ccccc2)[C@@H]1CC(=O)N1CCC(C2(O)CC2)CC1 1772810939 PWPYCZAJOOKSNE-GOSISDBHSA-N 371.481 1.141 0 50 FDAA CCOC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCCC2=O 19301068 MXDONPPSVOHUGF-UHFFFAOYSA-N 366.439 1.715 0 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FDAA Cc1ccccc1N1CCN(C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 130878620 BQWUEWCYEDHORT-QGZVFWFLSA-N 351.516 1.789 0 50 FDAA COc1cc(Br)cc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)c1 262454776 RKPHTEDHDPOBFF-NSHDSACASA-N 366.233 1.845 0 50 FDAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccc(OC(F)F)cc1)C2 1704307472 GTIBSUDBBAJGQO-AAEUAGOBSA-N 370.352 1.145 0 50 FDAA O=C1[C@@H](C(=O)N2CC[C@H](N3CCOC3=O)C2)CCN1Cc1ccccc1 825025635 LYJSZEBPBBMFGS-HOTGVXAUSA-N 357.410 1.088 0 50 FDAA Cc1ccc(S(=O)(=O)NC[C@]2(O)CCO[C@@H]2C)c(Br)c1 228077229 AFZSKAHUBGIBCO-ZWNOBZJWSA-N 364.261 1.576 0 50 FDAA CN(OCc1ccccc1)C(=O)c1ccc2c(c1)S(=O)(=O)N(C)C2=O 2325748683 RKUDLTXRCAEZEM-UHFFFAOYSA-N 360.391 1.665 0 50 FDAA CN1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C(C)(C)C1 2325784496 NDIRCDJIPWTWAW-PBHICJAKSA-N 373.501 1.394 0 50 FDAA Cc1cnc2c(cnn2CC(=O)NCc2ccccc2N2CCNCC2)c1 2325817933 GDSYYBFOKNMTHQ-UHFFFAOYSA-N 364.453 1.466 0 50 FDAA Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CC[C@@H]([C@@H]3CCCO3)C2)c1 899622976 ODFQLEKETFSJFO-CVEARBPZSA-N 366.483 1.609 0 50 FDAA CS(=O)(=O)NCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)O 2356147330 RNBSEDQUHYVODV-UHFFFAOYSA-N 359.791 1.654 0 50 FDAA Cc1noc(-c2ccccc2C(=O)N2CCN(c3cnccn3)CC2)n1 173059005 CLLFNBYOTRVUEC-UHFFFAOYSA-N 350.382 1.797 0 50 FDAA COc1ccc(C(=O)c2nccn2CC(=O)Nc2cn(C(C)C)nn2)cc1 20854275 UFLINDQWBIUOOA-UHFFFAOYSA-N 368.397 1.934 0 50 FDAA CC(C)OCCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccs1 55134023 AFDHOEXBWBPAHT-OAHLLOKOSA-N 353.488 1.370 0 50 FDAA CNC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N(C)C)cc1 53212427 VLRVGWQMNGXZGA-AWEZNQCLSA-N 351.428 1.220 0 50 FDAA CC(C)(CO)NC(=O)C[C@H]1C(=O)NCCN1Cc1cccc2ccccc12 55386138 XGVXHUALINUVTI-SFHVURJKSA-N 369.465 1.417 0 50 FDAA COC(=O)c1ccc2c(=O)n(CC(=O)N(C)C3CCCCC3)cnc2c1 10821642 XYQLMYBPLSXSLP-UHFFFAOYSA-N 357.410 1.974 0 50 FDAA NC(=O)c1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cs1 20059873 PBHIMJOUOLDNFJ-UHFFFAOYSA-N 365.480 1.354 0 50 FDAA Cc1nn2cc(CCNc3nccc(N4CCC[C@H](O)C4)n3)nc2s1 65372594 SSTHJZGFVIDZOS-ZDUSSCGKSA-N 359.459 1.505 0 50 FDAA 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371.393 1.517 0 50 FDAA CN(C)S(=O)(=O)N1CCC(C(=O)N2CCCc3ccccc32)CC1 10689000 PEMYYGZPYKQCLB-UHFFFAOYSA-N 351.472 1.484 0 50 FDAA C[C@H]1CN(Cc2nc(CS(C)(=O)=O)no2)C[C@H](c2ccsc2)O1 120861415 VKJWIVRZBNWUIW-CMPLNLGQSA-N 357.457 1.638 0 50 FDAA O[C@H]1CN(CCCC(F)(F)F)C[C@@H]1N1CCN(c2ccccn2)CC1 20906138 PXWJLTRVWRQGKL-GJZGRUSLSA-N 358.408 1.591 0 50 FDAA CC(=O)c1cccc(OCc2cc(C(=O)N(C)Cc3nncn3C)no2)c1 67604491 VAQHGXHWAHTOCZ-UHFFFAOYSA-N 369.381 1.857 0 50 FDAA CCn1c([C@@H]2CCCNC2)nn(CS(=O)(=O)c2ccc(C)cc2)c1=O 67973921 VHHISMDSRKTWJC-CQSZACIVSA-N 364.471 1.272 0 50 FDAA O=C1O[C@@H]2CN(c3nc4ccccc4o3)C[C@@H]2N1CCCN1CCOCC1 67983066 LORRWOXLGVDKSK-DOTOQJQBSA-N 372.425 1.560 0 50 FDAA O=C(O)c1c(S(=O)(=O)NCc2ccsc2)sc2c1CCNC2 67691365 FMNWSBGBEACDKP-UHFFFAOYSA-N 358.466 1.632 0 50 FDAA O=C(c1ccc(N2CC[C@H](O)C2)nc1)N1CCC(Oc2cccnc2)CC1 67726435 DDQLSINQZLFNIX-INIZCTEOSA-N 368.437 1.731 0 50 FDAA Cc1nn(C)c(C)c1CNC(=O)NCC1(N2CCOCC2)CCCCC1 173357260 DONKQADNKZNSML-UHFFFAOYSA-N 363.506 1.871 0 50 FDAA 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Cc1cc(C(=O)N2CCCn3nc([C@@H](O)CN(C)C)cc3C2)c(C)n1C 219294003 RVVIKOYAPGDAMV-SFHVURJKSA-N 359.474 1.480 0 50 FDAA CC(C)CCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCSCC2)[C@@H]3C1=O 77341632 IXXBZJCEMMRPHN-AFIMGQEJSA-N 350.484 1.390 0 50 FDAA O=C1CN(CCCNc2cc(-c3ccccc3F)nc3ccnn23)CCN1 72153410 OHZMVPFSAFDDPJ-UHFFFAOYSA-N 368.416 1.769 0 50 FDAA Cc1nc(Cn2nnc([C@@H]3CN(Cc4ccccc4)CCO3)n2)oc1C 372586554 SYNIOWDNVIBQMP-INIZCTEOSA-N 354.414 1.900 0 50 FDAA COCCCN1C[C@@]2(CCCN(C(=O)CCn3ccnc3)C2)CCC1=O 77378627 VGDLPGKHDCXGCI-IBGZPJMESA-N 362.474 1.541 0 50 FDAA Cc1cc(C(=O)NC2CCN(C3CCS(=O)(=O)CC3)CC2)c(C)o1 222595100 PAJIMYHMILDFEF-UHFFFAOYSA-N 354.472 1.668 0 50 FDAA O=C1CCC(C(=O)N2CCc3[nH]nc(COc4ccccc4)c3C2)=NN1 48219832 YXBPMKRSLIYSPC-UHFFFAOYSA-N 353.382 1.139 0 50 FDAA COC(=O)NCC(=O)N1CCC[C@H](c2nccn2Cc2ccccc2)C1 82155650 NDMWNAKRTYIYAI-INIZCTEOSA-N 356.426 1.993 0 50 FDAA Cc1cccc(=O)n1CCCNC(=O)[C@@H]1CC(=O)N(C)c2ccccc21 426647427 YLRLURKPUGBQQC-MRXNPFEDSA-N 353.422 1.813 0 50 FDAA COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)C(C)=O)C3)C2=O)c1 426590026 SHXOCPUCTCFDLJ-LJQANCHMSA-N 362.401 1.764 0 50 FDAA Cc1cc(C)nc(CCNC(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)n1 426489627 KTQRFWWHWDDAQH-CQSZACIVSA-N 354.476 1.102 0 50 FDAA Cc1cc(C)n(CCNC(=O)N2CC(Oc3ccc(F)cc3)C2)c(=O)n1 426412974 OFEAKJUEYPJUIN-UHFFFAOYSA-N 360.389 1.472 0 50 FDAA COCCN1C[C@H](CNC(=O)N(C)Cc2cccc3cnccc23)CC1=O 426548837 QQGMLUARKMOGKK-HNNXBMFYSA-N 370.453 1.871 0 50 FDAA O=C(Nc1ccc2nncn2c1)[C@H]1CCCN1S(=O)(=O)c1ccccc1 179479511 XQYKUTPWTHPDLQ-OAHLLOKOSA-N 371.422 1.521 0 50 FDAA Cc1cccc(-c2noc(CNC(=O)[C@H]3CSC(C)(C)C(=O)N3)n2)c1 426596460 IFLHAAXZFSRIQT-GFCCVEGCSA-N 360.439 1.671 0 50 FDAA C[C@H](NC(=O)N(C)CCCN1CCOCC1)c1nc(-c2ccncc2)no1 426379937 ULRCOHPXMHCJNC-AWEZNQCLSA-N 374.445 1.556 0 50 FDAA Cn1cc(C(=O)N2CCC3(CC2)OCCC[C@@H]3O)c(=O)c2ccccc21 97172859 IFGKZRCLBBDLRQ-KRWDZBQOSA-N 356.422 1.685 0 50 FDAA Cc1nc(CN2CCC[C@H](c3nnc(CN4CCC(O)CC4)n3C)C2)co1 426555806 DQNISLOFSXLCRO-HNNXBMFYSA-N 374.489 1.448 0 50 FDAA O=C(NCCCOc1cccnc1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 91427139 NMRGWGULHZIBSQ-OAHLLOKOSA-N 354.410 1.410 0 50 FDAA CCCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(=O)n(C)c1)CC2 95509628 ZFHQOXDXKPIMPC-UHFFFAOYSA-N 369.469 1.508 0 50 FDAA O=C(CCC1CCN(CCO)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 95530585 IRNIXKJAFGTQKU-HXUWFJFHSA-N 359.514 1.862 0 50 FDAA O=C(NCc1noc(-c2ccco2)n1)c1coc(CN2CCOCC2)c1 97522503 CLPBMZLFXZYVDV-UHFFFAOYSA-N 358.354 1.685 0 50 FDAA CN1CC2(CCN(C(=O)[C@@H]3CC(=O)Nc4ccc(F)cc43)CC2)OC1=O 91656714 HLAUXCCNVMVDRB-CYBMUJFWSA-N 361.373 1.695 0 50 FDAA COc1ccc(-c2nnc(C)o2)cc1NC(=O)NCCCn1cncn1 95500474 JSEBAOKGUNFODG-UHFFFAOYSA-N 357.374 1.857 0 50 FDAA Cc1ccc(CN2CCC3(CC2)c2nc[nH]c2CCN3S(C)(=O)=O)o1 91792910 XEFHXCNQMXFTHH-UHFFFAOYSA-N 364.471 1.620 0 50 FDAA O=C(c1cccc(OC2CCN([C@@H]3CCCNC3)CC2)c1)N1CCOCC1 95496953 SEMMXFLQKYVUJD-GOSISDBHSA-N 373.497 1.754 0 50 FDAA CCn1cc(S(=O)(=O)N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)cn1 91364523 YFZVGTUIXKWNFZ-KRWDZBQOSA-N 366.487 1.316 0 50 FDAA 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Cc1cccc(Cn2c(NCC(C)C)nc3c2c(=O)n(C)c(=O)n3C)c1 4818514 RUUZIUOFVWSPAM-UHFFFAOYSA-N 355.442 1.858 0 50 FDAA COCCSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1OC 6719314 KHEKQRBGRZPMOO-DGCLKSJQSA-N 356.469 1.416 0 50 FDAA COC(=O)c1c(NC(=O)CN2CCCCC2)sc(C(=O)N(C)C)c1C 6731726 WKDUEZAWXLRSCK-UHFFFAOYSA-N 367.471 1.969 0 50 FDAA O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NC[C@H]1C[C@H]2C=C[C@H]1C2 100791872 AVDKMVVTFWHMCC-ZJOBFFGXSA-N 353.422 1.846 0 50 FDAA biogenic CC(=O)N1CCN(C(=O)c2cnc(SCc3ccccc3)[nH]c2=O)CC1 20539980 HXMGDCFKTBHJGH-UHFFFAOYSA-N 372.450 1.367 0 50 FDAA COCCN(C[C@H]1CCCO1)C(=O)c1sc2ncn(C)c(=O)c2c1C 55271850 FBCQTYINJXNFGJ-GFCCVEGCSA-N 365.455 1.571 0 50 FDAA COC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1c(F)cccc1F 67603865 PGDRWBVTPOBGAL-GFCCVEGCSA-N 365.288 1.278 0 50 FDAA O=C1O[C@@H]2CN(c3ccc(Cl)cn3)C[C@@H]2N1CCCN1CCOCC1 67713850 BFRPFFOJKJXYBT-LSDHHAIUSA-N 366.849 1.467 0 50 FDAA CNC(=O)c1ccc(S(=O)(=O)N2CCC(O)(c3ccccc3)CC2)cc1 184192996 CBARLUKLLVTJPM-UHFFFAOYSA-N 374.462 1.719 0 50 FDAA CN(CC1(N2CCCCC2)CCCCC1)C(=O)Cn1ccc(=O)[nH]c1=O 72410532 NJTJVQNWTBZZFB-UHFFFAOYSA-N 362.474 1.184 0 50 FDAA O=C(c1nc(O)c2ccccc2n1)N1CCN(C(=O)c2cccs2)CC1 20293725 QMGPGSGWMDJLLM-UHFFFAOYSA-N 368.418 1.995 0 50 FDAA CCc1ccccc1C(=O)N1CC[C@H](N(C)Cc2cc(O)nc(N)n2)C1 328636815 OGPAFUXWKILTGK-HNNXBMFYSA-N 355.442 1.673 0 50 FDAA CCN1Cc2nc(OC)c(CNC(=O)COc3cccnc3)cc2C1=O 71764611 MQOOORBHVKZJDL-UHFFFAOYSA-N 356.382 1.156 0 50 FDAA CSCC[C@@H]1NC(=O)NC(C)=C1C(=O)N1CCOC2(CCCC2)C1 67694526 NEFGKGWNPVBHOC-ZDUSSCGKSA-N 353.488 1.867 0 50 FDAA CCc1ccc(C(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1S(C)(=O)=O 123903799 KSMYWCPSEVESQC-HNNXBMFYSA-N 364.467 1.536 0 50 FDAA CCn1nccc1NC(=O)Cn1cc(-c2ccc(-n3cnnc3)nc2)cn1 23542121 IJNUJWBKGIULLH-UHFFFAOYSA-N 363.385 1.381 0 50 FDAA COc1cc2cc(CN3CCCC(CO)(CO)C3)c(=O)[nH]c2cc1OC 67588746 JPZPEAOASGFPRT-UHFFFAOYSA-N 362.426 1.112 0 50 FDAA COC(=O)[C@@H](NC(=O)[C@]1(C)Oc2ccccc2NC1=O)c1ccccc1 1384571 XPFKNVVJNFVBFA-HNAYVOBHSA-N 354.362 1.807 0 50 FDAA 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328613302 QFFRLBFEXVUAJR-CQSZACIVSA-N 354.472 1.320 0 50 FDAA CN(Cc1nccs1)C(=O)c1ccccc1N1CCS(=O)(=O)CC1 218997863 ZDDPGMUPBGALOH-UHFFFAOYSA-N 365.480 1.650 0 50 FDAA O=C(NC[C@H]1CCCN1C1CCCCC1)N1CCN([C@H]2CCNC2)CC1 333668097 XWOPBDBPBDKNHN-RBUKOAKNSA-N 363.550 1.473 0 50 FDAA Cc1cnc2c(Cl)c(C(=O)NCC3(CN4CCOCC4)CC3)nn2c1 215515870 QFDJUICSAHIHTK-UHFFFAOYSA-N 363.849 1.533 0 50 FDAA CCNC(=O)CN1CCN(c2nccc(-c3ccc(C)nc3C)n2)CC1 71757080 XEGTVIICMQLUHO-UHFFFAOYSA-N 354.458 1.414 0 50 FDAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(C(=O)c2cc(Br)cn2C)C1 285050789 QFYLVJKYFJUHQD-ZJUUUORDSA-N 354.208 1.508 0 50 FDAA O=C(O)[C@H]1c2[nH]cnc2CCN1C(=O)c1cnn(Cc2ccccc2)c1 72417863 AUYJNQYGXYTZAY-MRXNPFEDSA-N 351.366 1.479 0 50 FDAA CN(C)C[C@@]1(O)CCCN(C(=O)c2cnc(Nc3ccccc3)nc2)C1 72143004 CXFKZNRRIKIUCH-IBGZPJMESA-N 355.442 1.749 0 50 FDAA COc1ccc2nc(CCNC(=O)c3cc(CC(C)C)[nH]c(=O)n3)[nH]c2c1 216468301 MJPAKVCNRYVNOR-UHFFFAOYSA-N 369.425 1.826 0 50 FDAA C[C@]1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC2CCCCC2)C1=O 253426222 DHUWBNXLWHLJDK-QGZVFWFLSA-N 365.455 1.681 0 50 FDAA C[C@@H](Nc1ccc2c(c1)COC2)C(=O)N1CCN(c2ncccn2)CC1 152709020 BBQXDUHTSQVKAR-CQSZACIVSA-N 353.426 1.656 0 50 FDAA CCS(=O)(=O)N1CCC[C@@H](c2n[nH]c(=S)n2C[C@@H]2CCCO2)C1 13322715 KBISCBOHEUHMAZ-NEPJUHHUSA-N 360.505 1.649 0 50 FDAA CCc1noc(C)c1C(=O)N1CCN(Cc2cccc(C)n2)[C@H](CCO)C1 72478110 BWJYAXBTRJQUJQ-QGZVFWFLSA-N 372.469 1.958 0 50 FDAA CC1(C)[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3)[C@@H]2CCCO[C@H]21 371111836 XCXBIQRXNDLCET-IAOVAPTHSA-N 371.437 1.830 0 50 FDAA Cc1ccc2c(c1)[C@@H](CC(=O)N1CCc3c(nc(C)[nH]c3=O)C1)C(=O)N2 72151881 UCVBAEWKUSSYIZ-CQSZACIVSA-N 352.394 1.397 0 50 FDAA COC(=O)c1ccsc1NC(=O)CN1CCN(c2ncccn2)CC1 35800925 YFXDFHHXUJPMLM-UHFFFAOYSA-N 361.427 1.085 0 50 FDAA CCC[C@@H](C)N1CC2(CCN(C(=O)Cn3nc(C)cc3N)CC2)OC1=O 72477992 FOZRATVZWSSZIW-CQSZACIVSA-N 363.462 1.776 0 50 FDAA Cc1cc(N2CCCN(C(=O)[C@H]3CCCO3)CC2)n2nc(C)c(C)c2n1 72479485 VKNPISQZYAZMRA-MRXNPFEDSA-N 357.458 1.872 0 50 FDAA Cc1ccccc1Cc1nnc(CN2CC[C@@]3(C2)NC(=O)N(C)C3=O)o1 378163008 YXYACRPRURGWTG-SFHVURJKSA-N 355.398 1.095 0 50 FDAA O=C(CCCC(=O)N1CCN(c2ccccn2)CC1)Nc1nccs1 40286823 XAMFYOWRNZRGIH-UHFFFAOYSA-N 359.455 1.996 0 50 FDAA CC[C@H](O)c1cc2n(n1)CCN(C(=O)Cn1c(=O)oc3ccccc31)C2 220200961 AYVNBGIRCUTNJN-HNNXBMFYSA-N 356.382 1.277 0 50 FDAA CN1CC[C@H](NC(=O)N2CC[C@@H](CS(C)(=O)=O)C2)[C@@H]1c1ccccc1 292619399 OLDSLLCNZCJADF-PVAVHDDUSA-N 365.499 1.508 0 50 FDAA Nc1nccc(-c2cccc(C(=O)N3C[C@H](O)[C@@H](N4CCCCC4)C3)c2)n1 426555705 YFRDXPNAPQEOQK-ROUUACIJSA-N 367.453 1.397 0 50 FDAA Cc1nc2c(s1)CCC[C@@H]2NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 220654310 GGDYSMCKKZKIJO-NSHDSACASA-N 356.407 1.789 0 50 FDAA NCc1nnc(SCC[C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1 426628901 WTUKNTOVRMTZQZ-CQSZACIVSA-N 366.512 1.702 0 50 FDAA COc1cc(C(=O)N[C@H](C)c2nncn2C)ccc1OC1CCN(C)CC1 95506383 MBWSDSSLNLEDLT-CYBMUJFWSA-N 373.457 1.788 0 50 FDAA Cc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCOCC3)C2)cc1Cl 91617004 KKNMPYBQTHNHLH-HZPDHXFCSA-N 352.862 1.661 0 50 FDAA COc1cccc2c1OC[C@@H](C(=O)NCCNC(=O)c1ccc(F)cc1)C2 91987286 XPTXOIOODBUWQS-HNNXBMFYSA-N 372.396 1.932 0 50 FDAA CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)C1 239338907 LKDFVMYESJUAAB-CJNGLKHVSA-N 360.410 1.602 0 50 FDAA Cn1cnnc1CCC(=O)N1CC[C@]2(CCCN(C3CCCC3)C2=O)C1 91997912 BXLWPNLJFKBDCH-LJQANCHMSA-N 359.474 1.531 0 50 FDAA CCN1C(=O)NC(=O)C12CCN(C(=O)[C@@H]1Cc3ccccc3S1)CC2 95370125 VESMOCKIOPQKLX-AWEZNQCLSA-N 359.451 1.636 0 50 FDAA CCCS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1c(C)noc1C)C2=O 91876417 AOGKMUWKNXFCOR-UONOGXRCSA-N 355.460 1.454 0 50 FDAA Cc1noc(C)c1CN1CC2(CCN(C(=O)[C@@H]3CCCO3)CC2)CC1=O 91915212 YYGXUMRXSWVIDL-INIZCTEOSA-N 361.442 1.812 0 50 FDAA CN(CCc1nc(-c2ccco2)nn1CC(F)(F)F)S(C)(=O)=O 96165272 SORDYWVQYHIBJE-UHFFFAOYSA-N 352.338 1.534 0 50 FDAA COc1cccc2c1OC[C@H](CNC(=O)C1CCS(=O)(=O)CC1)C2 95359694 QVIZFPBARPZEEO-LBPRGKRZSA-N 353.440 1.187 0 50 FDAA O=C(Cn1c(=O)cnc2ccccc21)N1CCC[C@@H](N2CCCC2=O)C1 95523478 AVGUWSDMUJJJJL-CQSZACIVSA-N 354.410 1.010 0 50 FDAA COc1cccc(OC2CN(C(=O)c3ccc(S(N)(=O)=O)cc3)C2)c1 95358650 ANBCTEATEVJOGR-UHFFFAOYSA-N 362.407 1.246 0 50 FDAA CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(c1cnc3ccccc3n1)C2 91650661 ANOGMFCZHINNAS-UONOGXRCSA-N 353.426 1.145 0 50 FDAA Nc1nnc(C2(NC(=O)CCN3CCCCC3=O)CCCCC2)s1 244898979 ZEXIVSMAWHEXBK-UHFFFAOYSA-N 351.476 1.799 0 50 FDAA C[C@H]1Oc2ccccc2N(CC(=O)NCc2cccc(C(=O)O)c2)C1=O 299741482 FFDIEMKQJPJRDH-GFCCVEGCSA-N 354.362 1.815 0 50 FDAA CN1C(=O)COc2ccc(NC(=O)N3CCC[C@@]4(CC3)CNC(=O)O4)cc21 534675433 RMQAEADUESJNFQ-GOSISDBHSA-N 374.397 1.538 0 50 FDAA CN(CC(=O)N1CCC2(C=Cc3ccccc32)CC1)[C@@H]1CCS(=O)(=O)C1 299778271 QDZNMSMMXQWVOT-QGZVFWFLSA-N 374.506 1.693 0 50 FDAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CC(c3nccs3)C2)o1 299796329 QJYDACLJPWTFSS-OAHLLOKOSA-N 374.466 1.361 0 50 FDAA NC(=O)Cc1nc([C@H]2CCC(=O)N(C3CCCC3)C2)n(-c2cccnc2)n1 826842469 UYVZVXOMKKSTMZ-ZDUSSCGKSA-N 368.441 1.339 0 50 FDAA CN1CCC(Oc2ccc(NC(=O)CN3CCCN(C)CC3)cc2)CC1 823765155 YYEBUYBSUZBFOO-UHFFFAOYSA-N 360.502 1.736 0 50 FDAA O=C(c1nc(-c2ccccc2)n2c1COCC2)N1C[C@@H]2C[C@H]1C[S@]2=O 1875272245 PWAQKYFAASDRFJ-KXTXEXGHSA-N 357.435 1.426 0 50 FDAA Cc1cccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCCC(=O)N3C)C2)c1C 1875327425 WBKWVTRWGVRZSR-ZOBUZTSGSA-N 357.454 1.691 0 50 FDAA CC(=O)N1C[C@H](NC(=O)c2ccc3nn[nH]c3c2)CC[C@H]1C(F)(F)F 886027708 IBVVZMOGLMCPHX-MFKMUULPSA-N 355.320 1.630 0 50 FDAA Cn1cc([C@@]2(C)CN(C(=O)c3c[nH]nc3C3CCOCC3)CCO2)cn1 886074642 KAVBYQAKEXYCPK-GOSISDBHSA-N 359.430 1.425 0 50 FDAA Cc1nc(N2C[C@@H](CC(=O)O)[C@@H](c3cn(C)nn3)C2)nc2c1CCCC2 1565516599 HKDUIRVORXYVDQ-OCCSQVGLSA-N 356.430 1.487 0 50 FDAA CCCNC(=O)c1ccc(NC(=O)N[C@H]2CCNC[C@@H]2O)cc1Cl 1565509743 BMLIDZLPKMTPMS-KBPBESRZSA-N 354.838 1.324 0 50 FDAA Cc1cccnc1C(=O)N[C@H]1CCOC[C@@H]1Oc1ccc(C(N)=O)cc1 1565514789 XGVNIWGXGGULBT-HOTGVXAUSA-N 355.394 1.455 0 50 FDAA CC(=O)N1C[C@@H]2CN(Cc3nccn3Cc3ccccc3)C[C@]2(C(=O)O)C1 1565528880 ORCYJPPZYLMPHD-PXNSSMCTSA-N 368.437 1.296 0 50 FDAA CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3ccccc3)nc2O)[C@@H](O)C1 1565528363 FZHWHZIGVAFTGN-IRXDYDNUSA-N 355.394 1.166 0 50 FDAA COc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2cnccn2)C3)o1 1565516498 BZFDHLJEVGIHKL-OLZOCXBDSA-N 356.382 1.455 0 50 FDAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cccn2C2CC2)CN1C1CCOCC1 97492440 IIMIIOCSIAOTBB-KSSFIOAISA-N 374.485 1.311 0 50 FDAA Cc1cc(C(=O)O)cc(S(=O)(=O)NCC2(N3CCOCC3)CC2)c1C 277545012 QBEQUEDBNHGIGE-UHFFFAOYSA-N 368.455 1.145 0 50 FDAA Cc1cc(C)n(C[C@H]2CN(C(=O)c3cnc4c(c3)c(C)nn4C)CCO2)n1 110899060 FFGSFNIPLAKYBT-MRXNPFEDSA-N 368.441 1.631 0 50 FDAA CCc1noc([C@@H](C)N2CCN(C(=O)NCCn3cc(C)cn3)CC2)n1 172291909 CXRQWXXDZVPMGJ-CQSZACIVSA-N 361.450 1.225 0 50 FDAA O=C(CN1CCN(C(=O)[C@H]2CCCc3cccnc32)CC1)N1CCCC1 193874833 HVEMYRNVTASVAB-KRWDZBQOSA-N 356.470 1.268 0 50 FDAA COC[C@@H](NS(=O)(=O)c1ccc(OC)c(Cl)c1)c1ccnn1C 1506407395 ROJDUDUZIPRFBJ-GFCCVEGCSA-N 359.835 1.748 0 50 FDAA COc1ccc(S(=O)(=O)N2CCN3[C@@H](C4CC4)COC[C@H]3C2)cc1 1529138931 KLFOJLZXCVERHK-RHSMWYFYSA-N 352.456 1.179 0 50 FDAA CN(C)c1ccc(C(=O)N2CC[C@H](O)[C@](CO)(Cc3ccccc3)C2)cn1 1529153287 AOCRUBUCYSTSGL-GHTZIAJQSA-N 369.465 1.576 0 50 FDAA CCN1CC[C@@]2(CO)CCCN(C(=O)c3cnc4ccccc4n3)[C@@H]2C1 1704312183 MSJZCLRENVSRNW-UYAOXDASSA-N 354.454 1.939 0 50 FDAA CCc1noc(CCNS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)n1 1615692370 LZVPMKVKESDKHQ-ZBEGNZNMSA-N 355.460 1.489 0 50 FDAA COCC1(C(=O)N2CCCN(c3ncc(F)c(OC)n3)CC2)CCC1 1800410929 DPIJFCZDZHKXFN-UHFFFAOYSA-N 352.410 1.480 0 50 FDAA CCOc1ccc2nc(CN3CC[C@H](N4CCOCC4)[C@@H](O)C3)ccc2c1 1614377276 IMCZSMSEKUBACK-SFTDATJTSA-N 371.481 1.901 0 50 FDAA Cn1cc(C(=O)N2C[C@@H]3CNC[C@]3(CCc3ccccc3)C2)ccc1=O 1772712084 MJHYGLPUDMEUGB-GHTZIAJQSA-N 351.450 1.680 0 50 FDAA Nc1n[nH]c(CNC(=O)[C@H]2CCc3sc(-c4ccncc4)nc3C2)n1 1772818663 JDTBLHMPZHORGW-JTQLQIEISA-N 355.427 1.327 0 50 FDAA CN(Cc1ccccc1)S(=O)(=O)N1CCCN(C(=O)C2CC2)CC1 1772819939 YEXKMQIYIXYXFC-UHFFFAOYSA-N 351.472 1.308 0 50 FDAA COCCn1c(CN2CCC[C@H]2CO)cnc1S(=O)(=O)CCC(C)C 11663099 RBWXAYFPDHCEAQ-HNNXBMFYSA-N 373.519 1.306 0 50 FDAA Cn1nnnc1SCCNC(=O)c1cn(C2CCCCCC2)nn1 11707909 BZQLTEPMJPZLJI-UHFFFAOYSA-N 350.452 1.219 0 50 FDAA CCOc1ccc(NC(=O)CSc2nc3c(=O)[nH]cnc3n2C)cc1 12411899 SUWKBTLYLHQZKH-UHFFFAOYSA-N 359.411 1.786 0 50 FDAA biogenic,in-vitro CN(C(=O)Cn1cc(NC(=O)CCOc2ccccc2)cn1)[C@H]1CCOC1 14996716 KYFHLZIATAUSDH-INIZCTEOSA-N 372.425 1.538 0 50 FDAA CC(C)c1ccc(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)cc1 1857714127 SINWWSQQUCTPMA-AEFFLSMTSA-N 364.467 1.922 0 50 FDAA O=C1C[C@H]2N(Cc3cnc(=NCc4ccccc4)[nH]c3)CC[C@]23OCCN13 1857716101 WRFYAADLCUFVII-XLIONFOSSA-N 365.437 1.044 0 50 FDAA O=C(NC1CCN(c2ncccn2)CC1)[C@H]1CC(=O)N(c2nccs2)C1 1857718929 AJRFEARIVUMVBF-LBPRGKRZSA-N 372.454 1.071 0 50 FDAA O=C(N[C@H]1C[C@H]2CO[C@@H](CCO)CN2C1)c1ccc(-c2cnco2)cc1 1857724516 ZKBQCCNVKAXKTH-ULQDDVLXSA-N 357.410 1.296 0 50 FDAA CCn1nc(CC(C)C)cc1C(=O)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1875242683 ZNQIGDMBTHTMDI-APWZRJJASA-N 360.458 1.665 0 50 FDAA O=C(N[C@H]1CCOC[C@@H]1O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 629224084 HMQUMDMLNWUHGU-KBPBESRZSA-N 373.375 1.583 0 50 FDAA COc1cccc(N2C[C@H](NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1 363101807 VKRNAEWRNJGAGJ-CQSZACIVSA-N 353.378 1.329 0 50 FDAA CCC[C@@]1(CO)CCN(C(=O)C2CCN(c3nccc(OC)n3)CC2)C1 365613493 PZELQEXTRMQFDS-LJQANCHMSA-N 362.474 1.713 0 50 FDAA O=C(c1cc(C2CC2)[nH]n1)N1CC[C@](Cc2ccccc2)(C(=O)O)[C@H](O)C1 1704348750 BOJBFOJZYOLLHS-YLJYHZDGSA-N 369.421 1.808 0 50 FDAA Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cc(F)c(F)cc2Cl)cn1 862927248 TXONEBJXKGMGBX-UONOGXRCSA-N 357.744 1.928 0 50 FDAA N=c1cc2c(-c3cccc(CN4CCS(=O)(=O)CC4)c3)cccn2[nH]1 2325773022 KLABAFNLFUUKCC-UHFFFAOYSA-N 356.451 1.644 0 50 FDAA CCOc1cccnc1S(=O)(=O)N1CC(O)(c2ccccc2F)C1 2325784075 ZQRTXSKPJILWFA-UHFFFAOYSA-N 352.387 1.512 0 50 FDAA CN(C(=O)c1ncn(-c2ncccc2F)n1)[C@@H]1CCN(c2ccncc2)C1 2325791694 QIJXIAWDTDJFBL-CQSZACIVSA-N 367.388 1.547 0 50 FDAA O=C(O)[C@H]1[C@H]2C[C@@H](C(=O)N3C[C@@H]4COC[C@]4(c4ccccc4)C3)OC[C@H]21 2325799131 WPZUHBQZOWBOOR-LBAXQKCOSA-N 357.406 1.149 0 50 FDAA CNC(=O)[C@H](Cc1ccccc1)N=c1cc[nH]c(-c2ccc(F)cn2)n1 2325826185 SOTOJJAHBMQELB-INIZCTEOSA-N 351.385 1.869 0 50 FDAA Cn1cc(Br)cc1C(=O)N[C@H](C(=O)O)[C@@H](O)c1ccncc1 2325850539 AWBSBPOCGBNUJK-RYUDHWBXSA-N 368.187 1.099 0 50 FDAA CS(=O)(=O)[C@@H](CNC(=O)c1cc(C(N)=O)ccc1F)c1ccccc1 2325864703 XHPQGYCJLSWWEF-HNNXBMFYSA-N 364.398 1.440 0 50 FDAA Cc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)s1 3459568 GPFPHKNWZQUMND-UHFFFAOYSA-N 352.441 1.883 0 50 FDAA O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)N1CCOCC1 4488435 VUXOFHFUVPBJOK-UHFFFAOYSA-N 368.455 1.145 0 50 FDAA CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC)C2)cc1Cl 6697516 KARHSFDFUNLLPQ-NSHDSACASA-N 360.863 1.885 0 50 FDAA C[C@H]1CN(c2ccc(N(C)C)cc2)c2nc3c(c(=O)[nH]c(=O)n3C)n2C1 10109219 LCZLJQZQKADCHP-NSHDSACASA-N 354.414 1.277 0 50 FDAA Cc1cnc(N2CCCN(C(=O)c3ccoc3)CC2)nc1-c1ncnn1C 23429305 RBTPTGWPUGIIAU-UHFFFAOYSA-N 367.413 1.526 0 50 FDAA CCc1nnc(SCC(=O)N2CCNC(=O)[C@H]2c2ccc(F)cc2)o1 20109993 QBLIYDZVELJVDL-CQSZACIVSA-N 364.402 1.563 0 50 FDAA Cc1nnc(CN(C)[C@H]2CN(Cc3cccc4cnccc34)C[C@H]2O)o1 328656896 ZTKORTWWLJRNGF-ZWKOTPCHSA-N 353.426 1.603 0 50 FDAA CCOC(=O)c1n[nH]cc1[C@H]1CC(=O)Nc2c1cnn2Cc1cccnc1 67934351 FNTQDGRRCULJDF-GFCCVEGCSA-N 366.381 1.700 0 50 FDAA CN(Cc1ccc2nsnc2c1)C(=O)c1cn(C[C@@H]2CCCNC2)nn1 65508811 YZSZJFPJHVGKLN-CYBMUJFWSA-N 371.470 1.555 0 50 FDAA Cc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)ccc1N1CCCC1=O 20483290 OSPMIHHGQXCLRZ-UHFFFAOYSA-N 365.455 1.008 0 50 FDAA COc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)NC[C@@](C)(O)C(C)C 324163546 NLIXTUWCHAIMMK-CQSZACIVSA-N 365.835 1.732 0 50 FDAA COc1cc2[nH]c(=O)c(CN3CCc4[nH]ncc4C3)cc2c(OC)c1OC 67714304 RWFQMLRXLNAONH-UHFFFAOYSA-N 370.409 1.835 0 50 FDAA COC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3ccccn3)CC2)cc1 22478450 BUVDQYDAOOCTJP-KRWDZBQOSA-N 371.437 1.430 0 50 FDAA NC[C@@H]1Cc2cc(-c3cncc(C(=O)N4CCOCC4)n3)cc(Cl)c2O1 67981821 PZTBQVOJDWIFAK-ZDUSSCGKSA-N 374.828 1.532 0 50 FDAA CN(C)c1nc2c(c(N(C)C[C@@H]3COc4ccccc4O3)n1)CCNC2 67643086 UIVIJPRJPUWGJQ-CYBMUJFWSA-N 355.442 1.465 0 50 FDAA 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CN1C(=O)C2(CCN(C(=O)CCCn3cncn3)CC2)c2ccccc21 72150089 ZYSOJZFKBCUBRM-UHFFFAOYSA-N 353.426 1.595 0 50 FDAA COc1cccc(CN2CCN(C(=O)[C@@H](O)Cc3ccccc3)CC2=O)c1 72479604 WEIJVICKSKXKPT-IBGZPJMESA-N 368.433 1.470 0 50 FDAA Cc1cc(=O)[nH]cc1C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 132519209 VGXGHDBWKGWFEP-LJQANCHMSA-N 369.465 1.859 0 50 FDAA CNC(=O)[C@]1(C)CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 288177397 PZGMUQGGQCSZGM-OXFYSEKESA-N 358.486 1.817 0 50 FDAA CNC(=O)[C@H]1CN(C(=O)c2cccc(Cn3nc(C)cc3C)c2)CCO1 72447108 QQDFJCKMVWAPIA-QGZVFWFLSA-N 356.426 1.135 0 50 FDAA NS(=O)(=O)c1cc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)cs1 364759449 MKOFYMHZRBVWCS-IEBDPFPHSA-N 358.441 1.253 0 50 FDAA CCc1noc([C@@]2(O)CCN(C(=O)c3cc(N4CCCC4)ccn3)C2)n1 365713263 ZUNRGNFAANOHFO-GOSISDBHSA-N 357.414 1.361 0 50 FDAA C[C@H](O)c1cn(CC(=O)N2CCC(c3nc4ccccc4o3)CC2)nn1 368445766 NKYSJAYSFMYCPE-LBPRGKRZSA-N 355.398 1.879 0 50 FDAA COCCN1C[C@@H](C(=O)NCc2cccc(-c3nccn3C)c2)CC1=O 371394649 BIMWJYQBHYFPPQ-INIZCTEOSA-N 356.426 1.198 0 50 FDAA CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@](O)(C3CC3)C2)c1 373250369 PKCFKNPZBLIFPH-OAHLLOKOSA-N 358.847 1.235 0 50 FDAA O=C(O)[C@H]1CN(C(=O)C2(c3ccccc3Cl)CCOCC2)CCO1 262908587 CGHDPQXXFQKVIQ-CQSZACIVSA-N 353.802 1.700 0 50 FDAA O=C(NC[C@H]1CC(=O)N(C2CC2)C1)N1CCN(CCc2ccccc2)CC1 182015467 LBSDASZUTCJTRY-GOSISDBHSA-N 370.497 1.567 0 50 FDAA O=C(Cc1cc2c(cc1Cl)OCCO2)NCCSc1ncn[nH]1 219455383 IBROHRMDXSUFEH-UHFFFAOYSA-N 354.819 1.680 0 50 FDAA CN1CCCN(C(=O)[C@H]2CC[C@@H](NC(=O)c3ccnc(Cl)c3)C2)CC1 72435156 JCZGVZQTCHUIRF-LSDHHAIUSA-N 364.877 1.798 0 50 FDAA O=C(O)[C@H]1C[C@H]2CC[C@H]1N2S(=O)(=O)c1cnc(-c2ccccc2)nc1 263497039 RHNHLFXRHNQKBV-VHDGCEQUSA-N 359.407 1.770 0 50 FDAA O=C(CCSc1ccc2c(c1)OCCO2)N1CCOC[C@H](CO)C1 77299237 SHKOYDFMKMHRMU-ZDUSSCGKSA-N 353.440 1.407 0 50 FDAA CCCCN1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 227043787 DDBNPHFKULZTKC-QOIOWGMHSA-N 353.422 1.713 0 50 FDAA CC(C)c1nc(CN(C)C(=O)[C@H](c2cccnc2)N2CCOCC2)no1 82137724 RJKKDSRDFWXCDP-INIZCTEOSA-N 359.430 1.620 0 50 FDAA CN(Cc1nc2c(s1)CCCC2)C(=O)c1cc2ncc(CCO)cn2n1 426739754 LHRUWOGVBBPEDV-UHFFFAOYSA-N 371.466 1.872 0 50 FDAA COc1ccc(Br)cc1CC(=O)N1CCO[C@@H](CC(=O)O)C1 269058056 YEMQJPPCCLBHIO-LBPRGKRZSA-N 372.215 1.702 0 50 FDAA C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCC1CCN(Cc2ccccc2)CC1 180978363 PAVHNCBXTNMASR-KXBFYZLASA-N 373.497 1.290 0 50 FDAA CN(C)C[C@H]1[C@@H]2CN(C(=O)c3ccc(-c4cncc(C(=O)O)n4)cc3)C[C@H]12 426479636 CUFPNJKUXUGTDG-PHZGNYQRSA-N 366.421 1.721 0 50 FDAA CCn1c(Cn2cccn2)nnc1C1CCN(C(=O)OCCOC)CC1 91907382 XCEPTXPNRGUSPD-UHFFFAOYSA-N 362.434 1.505 0 50 FDAA CCc1ncc(CN2CC[C@H](N3CCOCC3)[C@H](CCC(=O)O)C2)cn1 91808399 OGCYKOPMZOPOIX-SJORKVTESA-N 362.474 1.427 0 50 FDAA COc1cccnc1-c1cccc(C(=O)NCCN(C)S(C)(=O)=O)c1 426473336 AYJLCWWQUTXAGE-UHFFFAOYSA-N 363.439 1.378 0 50 FDAA CNC(=O)Cc1ccc(NC(=O)N2CCN(C3CCOCC3)CC2)cc1 97634950 XRVAKQXPUOIAOU-UHFFFAOYSA-N 360.458 1.304 0 50 FDAA NC(=O)Cc1nc(CCS(=O)(=O)c2ccccc2)n(-c2ccccc2)n1 96130329 VSEYFZPWRIVWGU-UHFFFAOYSA-N 370.434 1.312 0 50 FDAA NC(=O)Cn1ccnc1C1CCN(C(=O)CCc2cc(Cl)no2)CC1 96151630 VTXITSSEMATMHG-UHFFFAOYSA-N 365.821 1.349 0 50 FDAA CCCn1nc(C)c(CNC(=O)[C@H]2CC(=O)N(Cc3cccnc3)C2)c1C 95527129 OWOLGTQZHGAHGQ-KRWDZBQOSA-N 369.469 1.970 0 50 FDAA O=C(CN1CCN(Cc2cccnc2)CC1)Nc1cccc2nsnc12 22752421 PDDBASKBFALJLT-UHFFFAOYSA-N 368.466 1.843 0 50 FDAA COc1cccc(-n2cc(CNC(=O)N3CCN4C(=O)OC[C@@H]4C3)cn2)c1 426658548 XMXUJRGBJQCHEJ-HNNXBMFYSA-N 371.397 1.227 0 50 FDAA CCc1c(C)nc(C)nc1N1C[C@H](CO)[C@H](CN2CCN(CC)CC2)C1 95380515 UGLKNENCINLBDF-QZTJIDSGSA-N 361.534 1.338 0 50 FDAA NC(=O)c1ccc(NC(=O)N[C@H]2COC[C@@H]2N2CCCCC2)cc1Cl 97743174 BPXBBKQWXZGSLC-GJZGRUSLSA-N 366.849 1.814 0 50 FDAA Nc1ccc([C@@H](C(=O)O)N2CCN(CCOc3ccccc3)CC2)cn1 95374542 HDYJFHHPCVJNFD-SFHVURJKSA-N 356.426 1.486 0 50 FDAA O=C(Nc1cccc2cn[nH]c12)N1CCN(CCN2CCOCC2)CC1 95499040 CAOIWJLKVHMJAJ-UHFFFAOYSA-N 358.446 1.045 0 50 FDAA CC(C)(C)[C@H](NC(=O)c1nn(CCCCCO)c2ccccc12)C(N)=O 96032868 SATSPSXEJHKPRR-MRXNPFEDSA-N 360.458 1.829 0 50 FDAA in-vitro CCn1ccnc1[C@@H]1CCCN(C(=O)CCc2c(C)nc(=O)[nH]c2C)C1 95516362 HVLFRAGXKNYIPY-OAHLLOKOSA-N 357.458 1.942 0 50 FDAA CC(C)N1CCC[C@H](C(=O)NCc2csc(N3CCOCC3)n2)C1 95507016 RWEOILPOZCUMBX-AWEZNQCLSA-N 352.504 1.716 0 50 FDAA CCN(CCn1cccn1)C(=O)c1cccc(S(=O)(=O)N2CCC2)c1 95354017 UTXWRXKWHUHUPJ-UHFFFAOYSA-N 362.455 1.440 0 50 FDAA CCC[C@@]1(CO)CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2F)C1 91563036 ATYLAZYGUOXDTK-MRXNPFEDSA-N 358.435 1.488 0 50 FDAA COc1cccc(OC[C@@H](O)CNC(=O)c2ccc3[nH]c(CO)nc3c2)c1 97814854 FTBJVALUJVRYFV-ZDUSSCGKSA-N 371.393 1.234 0 50 FDAA CCN(CCc1nc2ccc(OC)cc2[nH]1)C(=O)c1ccc(=O)n(C)n1 97831072 WFKLWQVKVISIKK-UHFFFAOYSA-N 355.398 1.370 0 50 FDAA NC(=O)Cc1nc([C@H](O)c2ccc(F)cc2)n(C2Cc3ccccc3C2)n1 96164242 MBGWRYLOADRHHW-LJQANCHMSA-N 366.396 1.867 0 50 FDAA Cc1ncc(S(C)(=O)=O)c(N2CCC[C@@H](C(=O)c3cccnc3)C2)n1 95360298 BJGYDPHBJJWZNW-CQSZACIVSA-N 360.439 1.683 0 50 FDAA Cc1ccc(NC(=O)N2C[C@@H](NS(=O)(=O)N(C)C)[C@H](C(C)C)C2)cc1 95388610 ZPEJPAAXZFQRNL-JKSUJKDBSA-N 368.503 1.879 0 50 FDAA CN(C)CCN1CC2(CCC1=O)CCN(C(=O)c1ccc(CN)cc1)CC2 91662976 JWLSDUPBAWFZLV-UHFFFAOYSA-N 372.513 1.552 0 50 FDAA COc1cc(CN2CCC2)ccc1OC[C@H](O)CN1CCSCC1 95529165 DLLXJPZQCSAGLJ-MRXNPFEDSA-N 352.500 1.689 0 50 FDAA Cc1cc(C(=O)N2CCN(C)[C@@]3(CCC(=O)N(CC4CC4)CC3)C2)no1 95356437 KOAAEKUCKATENZ-LJQANCHMSA-N 360.458 1.532 0 50 FDAA CCc1cc(N2CCC(c3nnc(Cn4cncn4)n3C)CC2)nc(C)n1 91808785 VCZCJNNMAAPJAV-UHFFFAOYSA-N 367.461 1.500 0 50 FDAA COc1ccccc1OCCN1C[C@H](C2CC2)[C@@H](NS(C)(=O)=O)C1 91486696 ZNWDUQJDRDVPAE-CABCVRRESA-N 354.472 1.334 0 50 FDAA COCCCn1cnnc1[C@H](C)NC(=O)c1cc2c(nc1OC)CCC2 97729468 XLVCNENXWMTROJ-LBPRGKRZSA-N 359.430 1.698 0 50 FDAA CCCn1nccc1S(=O)(=O)N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 244811595 SHLQLDUNZQYEED-VNQPRFMTSA-N 364.471 1.349 0 50 FDAA CCc1c(C)nn(CC(=O)N2CCN(c3cc(C)nc(N)n3)CC2)c1C 244816774 SOBSPVXAXGDJQZ-UHFFFAOYSA-N 357.462 1.092 0 50 FDAA Cc1nc(C(=O)N2CCOC[C@@H]2C(=O)O)nn1-c1ccc(Cl)cc1 299749293 JVUPVETWZYTZNM-GFCCVEGCSA-N 350.762 1.155 0 50 FDAA Cc1ccnn1CC(=O)N1CC[C@@H](c2cc(O)nc(N3CCCC3)n2)C1 864852740 VFUMISKBRYNONZ-CQSZACIVSA-N 356.430 1.303 0 50 FDAA CN(Cc1nc(-c2ccncc2)no1)C(=O)NCC1(Cn2cccn2)CC1 534676076 HYKHHMOQTMPBHL-UHFFFAOYSA-N 367.413 1.950 0 50 FDAA O=C(CCc1cn[nH]c1)N1CCN(c2nnc(C(F)(F)F)s2)CC1 629980816 AFQZHEHLPHKPGV-UHFFFAOYSA-N 360.365 1.561 0 50 FDAA OC1CN(c2nc(NCCCc3cccnc3)cc([C@H]3CCOC3)n2)C1 299795336 MBCCRKGTMJKQBM-HNNXBMFYSA-N 355.442 1.601 0 50 FDAA O=C(O)[C@H]1CCCN(C2CCN(C(=O)c3cccc(F)c3O)CC2)C1 299763725 PZJDLGNTRHAJDB-LBPRGKRZSA-N 350.390 1.933 0 50 FDAA CCn1nnc(-c2cccc(NC(=O)N3CCC4(CC3)CNC(=O)O4)c2)n1 299780089 JVBDLDKSJAETSH-UHFFFAOYSA-N 371.401 1.466 0 50 FDAA COc1ccc(Cn2nc(C)cc2NC(=O)N2CCNC(=O)C2)cc1OC 299801185 VQTJSUOHEDFJQL-UHFFFAOYSA-N 373.413 1.221 0 50 FDAA O=C1CCCN1CCCC(=O)N1CCCC[C@H]1CCN1CCOCC1 827939548 IQESEKSXSIRICH-KRWDZBQOSA-N 351.491 1.492 0 50 FDAA CC(C)C(=O)N1CCC(CNS(=O)(=O)c2ccccc2C(=O)O)CC1 827910791 ZPVVRXFPNVWFQF-UHFFFAOYSA-N 368.455 1.558 0 50 FDAA O=C(NC[C@@H]1CNCCO1)c1ccc(-c2cnc3ccc(F)cn23)cc1 584884638 VPJYJCHEYIPIAY-INIZCTEOSA-N 354.385 1.859 0 50 FDAA Nc1c[nH]nc1[C@H]1CCN(C(=O)c2cc(N3CCCC3=O)ccc2F)C1 952851648 PVOKSROTKUFHCR-NSHDSACASA-N 357.389 1.888 0 50 FDAA CC(C)(C)OC(=O)N1CC[C@H](CC(=O)Nc2nnc3nc[nH]n23)[C@H](F)C1 1875267856 FVCMVHFXZXVZAP-NXEZZACHSA-N 367.385 1.376 0 50 FDAA COC(=O)[C@H](c1ccc(F)cc1Cl)N1CCc2c(O)nc(O)nc2C1 1875308315 ZRSGHEUBHARAMT-ZDUSSCGKSA-N 367.764 1.953 0 50 FDAA CS(=O)(=O)[C@H]1CC[C@@H](NC(=O)c2cc(C(F)(F)F)nn2C2CC2)C1 1875306465 HTEQZZXRLXCGMI-SCZZXKLOSA-N 365.377 1.932 0 50 FDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCN(c4ccncc4)CC3)nn(C)c21 1875301501 LQMPMTXTKQWFQQ-KGLIPLIRSA-N 355.442 1.800 0 50 FDAA O=C(NC1CN(C(=O)Cc2cc[nH]n2)C1)c1cc2c(s1)CCCCC2 1875338550 BGTTYGIZQSNTEF-UHFFFAOYSA-N 358.467 1.923 0 50 FDAA C[C@@H](CCS(C)(=O)=O)NC(=O)c1cc(C(F)(F)F)nn1C1CC1 1875306326 AEGWFLKCIWVSOU-QMMMGPOBSA-N 353.366 1.790 0 50 FDAA C=CC(=O)N(C)c1ccc(C(=O)NCc2cn(C[C@H](O)CC)nn2)cc1 1875373837 QFYKMXKKYUDOON-MRXNPFEDSA-N 357.414 1.128 0 50 FDAA O=C(NCC1CN(Cc2ccc(F)c(F)c2)C1)[C@@H]1CCc2nncn2C1 1875337485 WDEAEVFZAURCON-CQSZACIVSA-N 361.396 1.367 0 50 FDAA C[C@@]1(F)CN(C(=O)CCc2cnoc2)CCN(C(=O)C2(F)CCC2)C1 1875406338 BLBGYVLBSPKVKQ-MRXNPFEDSA-N 355.385 1.898 0 50 FDAA CN(CC(=O)Nc1ccccc1CN1CCOCC1)Cc1cccnc1 952991729 RWSMGLYOYNCIQA-UHFFFAOYSA-N 354.454 1.984 0 50 FDAA CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1ccc(N(C)CCO)cc1)C2 1073412644 NKKRIIFRXUZCOP-QAPCUYQASA-N 374.485 1.333 0 50 FDAA CC1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)C1 170617804 TYEDFBICNBCLKE-CYBMUJFWSA-N 372.874 1.889 0 50 FDAA CC(C)CN1CCO[C@@H](CNC(=O)Nc2nc3c(s2)COCC3)C1 172259831 VFQZQXHFWQSUEA-LBPRGKRZSA-N 354.476 1.694 0 50 FDAA CCn1cnc2c(c1=O)CCN(S(=O)(=O)Cc1noc3ccccc13)C2 189211733 AAJKPDUHJDTCOS-UHFFFAOYSA-N 374.422 1.293 0 50 FDAA O=C(NC1CC1)[C@H]1CCCN1C(=O)NCc1ccc(N2CCCC2=O)cc1 192986695 FUFMBJCKUZQMPW-QGZVFWFLSA-N 370.453 1.766 0 50 FDAA CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1c(C)nn(Cc2ccccc2)c1C 195096565 QUAJKFADNMZKKR-IEBWSBKVSA-N 370.453 1.146 0 50 FDAA CN1CCC[C@H]1CNC(=O)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1 779947451 MNNIOFAAJLCLEZ-DOTOQJQBSA-N 374.489 1.254 0 50 FDAA CCN(C(=O)c1cnc(N)nc1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1506415130 LUCXNKWFCIYTIG-CYBMUJFWSA-N 360.439 1.375 0 50 FDAA Cc1[nH]c(C(=O)O)c(C)c1C(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 1506419257 YDEWBWIAYVYNFY-UHFFFAOYSA-N 364.446 1.002 0 50 FDAA CC(C)N1C(=O)CO[C@H](C(=O)NCCc2ncc[nH]2)[C@H]1c1ccccc1 1529167622 KOWPZNKDDUQGRZ-MSOLQXFVSA-N 356.426 1.446 0 50 FDAA O=C(c1cnn(Cc2ccccc2)c1)N1CCN2[C@H](COC[C@H]2C2CC2)C1 1616070896 JYOASNUSVVKWCC-PMACEKPBSA-N 366.465 1.867 0 50 FDAA O=C(Cn1nc2ccccc2n1)N[C@H]1CC(=O)N(C2CCCCCC2)C1 12702583 YPAMSRGNJWAOQJ-AWEZNQCLSA-N 355.442 1.871 0 50 FDAA COC(=O)C1CCN(C(=O)c2cccc(NS(C)(=O)=O)c2C)CC1 13673743 NOFJSIPYZMHPGU-UHFFFAOYSA-N 354.428 1.392 0 50 FDAA CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccsc2)no1 169755147 BKPSJRWBYMOIIZ-UHFFFAOYSA-N 368.396 1.376 0 50 FDAA N=c1[nH]c(N2C[C@@H]3OCCC(=O)N(Cc4ccccc4)[C@H]3C2)ncc1F 1857727696 YFFXFUVXLFVJSM-GJZGRUSLSA-N 357.389 1.035 0 50 FDAA C[C@H](C(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 333511057 LZYVUELSCMNBJV-JTKCDRAESA-N 372.465 1.432 0 50 FDAA CC(=O)N1CCC(C(=O)N2C[C@H]3c4ccccc4OC[C@@]3(C(=O)O)C2)CC1 247957394 TYQFVIJMEAOVEI-JXFKEZNVSA-N 372.421 1.334 0 50 FDAA CC(C)[C@]12O[C@@H]1[C@@H]1O[C@]13[C@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@H]1O[C@]13C2=O 257547034 SWOVVKGLGOOUKI-PEWAOEKXSA-N 358.390 1.311 0 50 FDAA biogenic Cc1ccc(OCC(=O)N2CCN(C(=O)CCC3CCNCC3)CC2)cc1 263308186 YFBURZHZUDJWGU-UHFFFAOYSA-N 373.497 1.824 0 50 FDAA CN(C)[C@@H]1CCCN(C(=O)[C@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)CC1 907746746 OPPPOUXWFNQFFB-VYDXJSESSA-N 374.403 1.740 0 50 FDAA Cc1noc(COc2ccc(C(=O)N(C)[C@@H](C)c3nc(C)no3)cn2)n1 862145625 UIOYLDLDLQESBP-VIFPVBQESA-N 358.358 1.877 0 50 FDAA Cn1ccnc1C(=O)N1CCC[C@H]1c1ccc(C(=O)N2CCOCC2)s1 20867208 MFBNSIOZXZDKCQ-ZDUSSCGKSA-N 374.466 1.931 0 50 FDAA O=C(c1cccnc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 892972 TUPJAZCSHKXOED-UHFFFAOYSA-N 365.842 1.882 0 50 FDAA CCC[C@@]1(C(=O)O)CN(C(=O)c2ccccc2-n2cnnc2)CC[C@@H]1O 2356142202 INFYDYRPQNMJGG-MAUKXSAKSA-N 358.398 1.345 0 50 FDAA Cc1ncc(C(=O)N2CCO[C@H](c3nnnn3C)C2)c(-c2ccccc2)n1 2356148795 SEVGWURPULYVKL-HNNXBMFYSA-N 365.397 1.189 0 50 FDAA CN(CC(=O)N1CCC[C@@]2(CCc3c[nH]c(=N)nc32)C1)Cc1cccnc1 2356156004 RFGAJUSIILRNAW-HXUWFJFHSA-N 366.469 1.223 0 50 FDAA CN1C[C@]2(CCCN(C(=O)c3ccc(-c4cncc(N)n4)cc3)C2)OC1=O 2356160993 BBRAYWARHWDATC-IBGZPJMESA-N 367.409 1.783 0 50 FDAA NC(=O)c1ccc(S(=O)(=O)N2C[C@H](CO)[C@H](c3ccsc3)C2)cc1 328614445 WCMMCTPFBGBPHY-HIFRSBDPSA-N 366.464 1.244 0 50 FDAA C[C@@H]1C[C@H]1c1ccc(CN2CCO[C@H](CNc3nccn(C)c3=O)C2)o1 328627031 FRYQQKMBOLGXPQ-FVQBIDKESA-N 358.442 1.810 0 50 FDAA Cc1nc(COc2cccc(C(=O)NC[C@@H]3CN(C4CC4)CCO3)c2)no1 134813923 KLLHTJLVOVRFMD-QGZVFWFLSA-N 372.425 1.550 0 50 FDAA O=C(CCn1nnc(-c2ccccc2)n1)N1CC[C@@]2(O)CCCC[C@H]2C1 67869072 PNKJTBKHWKFKHG-LPHOPBHVSA-N 355.442 1.884 0 50 FDAA CS(=O)(=O)c1ncc(CN2CCNC(=O)CC2)n1CC1CCCCC1 23339448 TVIFMILMZBRQKO-UHFFFAOYSA-N 368.503 1.189 0 50 FDAA CCn1c(CC2CCN(C(=O)c3cn4ccsc4n3)CC2)n[nH]c1=O 65460856 MYAZSHAMDBGVBI-UHFFFAOYSA-N 360.443 1.395 0 50 FDAA Cc1cccc(C)c1Oc1ncccc1CNC(=O)Cc1n[nH]c(=O)[nH]1 67641563 HWHUTUPOGZEPEH-UHFFFAOYSA-N 353.382 1.761 0 50 FDAA O=C(Cn1cccn1)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2)CC1 67816982 JTHRHCKPEZMNRE-UHFFFAOYSA-N 366.425 1.238 0 50 FDAA O=C(NCCc1cc(=O)[nH]cn1)[C@@H]1CCCCN1C(=O)c1ccccc1 23214089 HZMNGQXIVORRAB-INIZCTEOSA-N 354.410 1.124 0 50 FDAA Cc1cc(F)ccc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C1CCC1 333874635 CIQVFPXLJKMCCP-CQSZACIVSA-N 361.460 1.722 0 50 FDAA CC(C)C1=NO[C@@H](C(=O)N2CCCn3nc(C(=O)N4CCCC4)cc3C2)C1 65375271 CFUWRLFNSYFZKZ-QGZVFWFLSA-N 373.457 1.652 0 50 FDAA CCn1cc(C(=O)NCc2n[nH]c3c2CCC3)c(=O)c2ccc(C)nc21 67934749 FPWYWJDYFLGDEM-UHFFFAOYSA-N 351.410 1.867 0 50 FDAA O=C(O)CN1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1 238161865 MEQHMOUVFTVRBO-SFHVURJKSA-N 356.397 1.996 0 50 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Cc1ccsc1S(=O)(=O)N1C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C1 82137476 HKHXCAWWVWBUSU-NWDGAFQWSA-N 366.530 1.251 0 50 FDAA CCOC(=O)N1CCN(C(=O)Nc2cccc(CCC(=O)NC)c2)CC1 97323894 LOEGBLIENIGGGP-UHFFFAOYSA-N 362.430 1.671 0 50 FDAA CNc1ncc(-c2nc(CCSC)nn2[C@@H]2CCS(=O)(=O)C2)cn1 96133187 ZDHKFBDZQBMYLZ-LLVKDONJSA-N 368.488 1.042 0 50 FDAA CN(C)S(=O)(=O)N1CCC(Oc2cccc(C(=O)NCCF)c2)CC1 95515313 UXLADTJHFJGIMJ-UHFFFAOYSA-N 373.450 1.036 0 50 FDAA COc1ccc(C(=O)N2CC[C@@]3(CN(C)C(=O)CO3)C2)c2ccccc12 426359163 YDPWPKHNMYWILS-HXUWFJFHSA-N 354.406 1.922 0 50 FDAA CN(C)c1nc2c(c(N3CCC4(CC3)CN[C@H](C(=O)O)C4)n1)CCCC2 91770476 OEBFVYSGEFGKGO-HNNXBMFYSA-N 359.474 1.455 0 50 FDAA CCCN1C[C@@H](NC(=O)Nc2cc(F)c3c(c2)NC(=O)CO3)CC1=O 426405103 HOPSIIGKQZTLDZ-JTQLQIEISA-N 350.350 1.289 0 50 FDAA CN(C)C(=O)N1CCC[C@@H](C(=O)N2CCC(OCc3cccnc3)CC2)C1 95367913 RKMJETQMICNWKP-QGZVFWFLSA-N 374.485 1.983 0 50 FDAA O=C(CCn1cnnn1)N1CCC[C@H](c2nccn2Cc2cscn2)C1 95529720 QHJNGAOQCZMXEV-ZDUSSCGKSA-N 372.458 1.171 0 50 FDAA CC(C)Cc1cc(C(=O)N2CCN(c3ncnc4[nH]cnc34)CC2)n(C)n1 92003849 XHKDAJBROGZEIO-UHFFFAOYSA-N 368.445 1.247 0 50 FDAA O=C(NC[C@H]1CCCN(c2ncccn2)C1)c1n[nH]c(=O)c2ccccc12 94103028 UAVOPRFVTOPTSZ-CYBMUJFWSA-N 364.409 1.360 0 50 FDAA O=C1C[C@H](C(=O)N2CCN(C3CCCC3)C(=O)C2)CN1Cc1ccncc1 95356239 RZWSZXGQDVMRRZ-INIZCTEOSA-N 370.453 1.044 0 50 FDAA O=C(CCN1Cc2ccccc2C1=O)N1CCC2(CC1)OCCC[C@H]2O 91468964 HLXPUNKFZLQYDV-QGZVFWFLSA-N 358.438 1.565 0 50 FDAA COCCN1CCC[C@]2(CCN(CC(=O)N3CCCCCC3)C2)C1=O 92065594 BBGHZBFYHMCCSI-LJQANCHMSA-N 351.491 1.350 0 50 FDAA CS(=O)(=O)NCCC(=O)N[C@H]1CCCc2nc(-c3ccccc3)ncc21 91452437 LBWVVECZXGRWOQ-HNNXBMFYSA-N 374.466 1.577 0 50 FDAA O=C(NCCCN1CCc2ccccc2C1)N1CCOC[C@@H]1c1nc[nH]n1 297193188 VJLWJZVBPVZYKZ-QGZVFWFLSA-N 370.457 1.336 0 50 FDAA CCc1nnsc1C(=O)N[C@H]1C[C@@H](c2cc(O)nc(N3CCCC3)n2)C1 253535401 OOWAVACOTMBUIJ-PHIMTYICSA-N 374.470 1.872 0 50 FDAA OCCNc1cc([C@H]2C[C@@H](Nc3nccnc3N3CCCC3)C2)ncn1 252536566 IWHYBHXAHGPXTQ-OKILXGFUSA-N 355.446 1.629 0 50 FDAA 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COc1ccccc1[C@@H](CNC(=O)C1(C(=O)N(C)C)CC1)N1CCCC1 225702196 NGBNTVQAKOYAOP-MRXNPFEDSA-N 359.470 1.817 0 50 FDAA CCN1CCC[C@@H](CN(C)Cc2nnnn2C(C)C)[C@@H]1c1cnn(C)c1 328635543 NJWNUSWQWPDYCO-MAUKXSAKSA-N 360.510 1.893 0 50 FDAA COC[C@H](C)NC(=O)NC(=O)CN1CCO[C@@H](c2cccc(F)c2)C1 263879460 KXBFLIRMZPSUET-SWLSCSKDSA-N 353.394 1.060 0 50 FDAA C=CC(=O)NCCC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)C2 848109569 ITAWJCQRBBDDJW-UHFFFAOYSA-N 351.447 1.538 0 50 FDAA CCC[C@@]1(C(=O)O)CN(C(=O)CCc2ccc(OC)c(O)c2)CC[C@H]1O 2100556449 NTGMOPPIJAWHDF-VQIMIIECSA-N 365.426 1.798 0 50 FDAA COc1ccccc1[C@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 2325786839 IMXLTNUTQKLTOY-BZUAXINKSA-N 359.470 1.468 0 50 FDAA CC(C)Oc1ccc(CN2Cc3nnc(O)n3C[C@@H]2C(=O)O)cc1F 2325851826 LCOSWWFJWXNCLA-GFCCVEGCSA-N 350.350 1.379 0 50 FDAA CC(C)(C)CNC(=O)c1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O 2325887144 WCMGDKJJKIYSDM-AWEZNQCLSA-N 357.410 1.224 0 50 FDAA O=C(NCCc1nnc2ccccn12)Nc1ccc2c(c1)CNCCO2 926166418 WOAIVVDSGAADIK-UHFFFAOYSA-N 352.398 1.576 0 50 FDAA O=C(CCn1cnc2ccccc2c1=O)N1CCC[C@H](N2CCOCC2)C1 23192118 SZMAJDXVESZAHP-INIZCTEOSA-N 370.453 1.110 0 50 FDAA O=C(c1ccc(-n2ccnc2)cc1)N1CCC[C@@]12CCCN(CCO)C2=O 2356152749 ZDIWUNJWBXHQJV-HXUWFJFHSA-N 368.437 1.462 0 50 FDAA Cc1cc(=O)cc(C(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)o1 2356163930 XMEZMIDSMYBCMC-UHFFFAOYSA-N 364.405 1.829 0 50 FDAA COC(=O)C1=CN2c3ccccc3S[C@H]2C(C(=O)OC)=C1C(=O)OC 4532296 FMDVKUDVWLHLGL-AWEZNQCLSA-N 361.375 1.638 0 50 FDAA COCCOCC(=O)N1CCC(c2nccn2Cc2ccccn2)CC1 6420258 ZRSNAKSKEYNUMZ-UHFFFAOYSA-N 358.442 1.695 0 50 FDAA CCCCNC(=O)c1ccc2cc(C(=O)Nn3cn[n+](C)c3)ccc2c1 6756010 RDELAXQUJMCYDQ-UHFFFAOYSA-O 352.418 1.775 0 50 FDAA CCS(=O)(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 10119390 VOENQASXGYORIA-UHFFFAOYSA-N 358.485 1.573 0 50 FDAA OC1(c2cn(C3CCN(c4ncnc5[nH]cnc45)CC3)nn2)CCCC1 55072701 MRGJLGWEDIBWJT-UHFFFAOYSA-N 354.418 1.548 0 50 FDAA CN(C[C@@H](O)CO)c1ccnc(N(C)Cc2cccc3ncccc23)n1 108001144 FIJVXNUBHIMVNQ-OAHLLOKOSA-N 353.426 1.451 0 50 FDAA C[C@H](Cc1ccccc1)C(=O)N1CC[C@H](N(C)Cc2nccc(N)n2)C1 328630175 JCPAPEHQFMPGIY-WBVHZDCISA-N 353.470 1.970 0 50 FDAA CCn1c(CC2CCN(Cc3nc4ccccc4n3C)CC2)nn(C)c1=O 65432480 YAGMDWKBVGRTKE-UHFFFAOYSA-N 368.485 1.943 0 50 FDAA CN(C(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C1C2CC3CC(C2)CC1C3 328712228 CHARFIADNUJCME-STWSTGMMSA-N 354.516 1.388 0 50 FDAA O=C(C1CCCCC1)N1CCC[C@@H](Cn2cc(CN3CCNCC3)nn2)C1 23541798 ZMPXMQQEFAEYQU-QGZVFWFLSA-N 374.533 1.502 0 50 FDAA O=C(c1cnc[nH]c1=O)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1 67820403 IOFZSEFZHTXZJM-UHFFFAOYSA-N 358.304 1.902 0 50 FDAA CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2CCC(=O)O)cc1 324409814 DTONUEASDVNZMP-NSHDSACASA-N 361.441 1.108 0 50 FDAA CN(C)C(=O)N1CCn2nc(CNC(=O)C(C)(C)c3ccccc3)cc2C1 82125723 PWTPGSACYZITSU-UHFFFAOYSA-N 369.469 1.974 0 50 FDAA CCc1nccn1[C@@H]1CCCN(C(=O)NC[C@@H]2CCCS2(=O)=O)C1 124689415 CMPCVCRWUQQYJY-KGLIPLIRSA-N 354.476 1.369 0 50 FDAA CC(C)N1CCO[C@H](CN2CCN(C(=O)C[C@@H]3CCC(=O)[C@H]3C)CC2)C1 330036211 YCMOZUZLZHUGGH-OKZBNKHCSA-N 365.518 1.245 0 50 FDAA Cc1cc(C)n(CCc2nc(C)nn2-c2ccc3c(c2)OCCO3)c(=O)n1 63845002 FBNNYILGNCKEON-UHFFFAOYSA-N 367.409 1.763 0 50 FDAA COC(=O)C1CCN(C(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)CC1 65362428 KHVZTJCNWAIIQD-UHFFFAOYSA-N 368.455 1.416 0 50 FDAA Cc1ccc(C2(O)CCN(S(=O)(=O)N3CCCCCC3)CC2)nc1 67934435 XXRAABCUORLKRW-UHFFFAOYSA-N 353.488 1.794 0 50 FDAA CCN(C)CC(=O)N1CCC(Cc2nn(C)c(=O)n2-c2ccccc2)CC1 67804727 FZAFPKUKZBPEPN-UHFFFAOYSA-N 371.485 1.304 0 50 FDAA Cn1nc(C(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)ccc1=O 222469515 SHSFAZFZVYFGMQ-XBMPDCEQSA-N 364.405 1.571 0 50 FDAA C[C@H]1CN(C(=O)Nc2ccn(-c3ccccc3)n2)C[C@@H]1N1CCOCC1 333247890 JSAVIRKDKAKEID-RDJZCZTQSA-N 355.442 2.057 0 50 FDAA C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 537891 GSDSWSVVBLHKDQ-SNVBAGLBSA-N 361.373 1.544 0 50 FDAA biogenic,fda Nc1nc2c(c(C(=O)N[C@H]3CCCN(c4ncccn4)C3)n1)CCCC2 72146521 RSSARRQERBHBLY-LBPRGKRZSA-N 353.430 1.126 0 50 FDAA Cc1ccc(F)c(-n2cc(O)c(C(=O)N(C)[C@@H](CO)COC(C)C)n2)c1 451418674 NETYRMHMBCGOKA-ZDUSSCGKSA-N 365.405 1.883 0 50 FDAA CCCCc1nc(C)cc(NCCNC(=O)c2cn3c(n2)CNCC3)n1 72125573 QJWHNKPWHCUWAQ-UHFFFAOYSA-N 357.462 1.269 0 50 FDAA Cc1cc(CNC(=O)N2CCc3ccccc3[C@H]2CO)nc(N(C)C)n1 252507900 WWIXZAQXOPPKPG-QGZVFWFLSA-N 355.442 1.652 0 50 FDAA C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCC[C@](O)(C(N)=O)C1 285715145 CDIRSFZDQUCDIL-BJOHPYRUSA-N 360.241 1.633 0 50 FDAA COCCn1ccnc1CN(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 215715681 AYJUGMVAAMYAPW-QGZVFWFLSA-N 363.483 1.719 0 50 FDAA COc1cccc(CN2CCC[C@](O)(CO)C2)c1OCCn1ccnc1 72427872 HTDFNNIADZLAIT-LJQANCHMSA-N 361.442 1.290 0 50 FDAA CN(C)C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cccc(N(C)C)c1)C2 219614609 CHVLXOKZAOADKT-IBGZPJMESA-N 371.485 1.590 0 50 FDAA O=C(Cc1c[nH]c(=O)[nH]c1=O)N1CCC[C@@H]1c1nc(-c2ccccc2)no1 77436394 UWOPBKQHSSSQOT-CYBMUJFWSA-N 367.365 1.019 0 50 FDAA Cn1cc(CN2CCC[C@]3(C(=O)O)CN(c4cnccn4)CC[C@@H]23)cn1 72431453 QMESREMXYHAKDH-QAPCUYQASA-N 356.430 1.156 0 50 FDAA Cn1cc([C@@H]2CN(C(=O)c3cn(C)nc3-c3ccoc3)C[C@H]2CO)cn1 370506677 DHFOZZLVFAPLKD-GJZGRUSLSA-N 355.398 1.262 0 50 FDAA CC(C)c1ncc2c(n1)CN(C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)CC2 371114477 WFTWTXRJRPHQLQ-GFCCVEGCSA-N 370.375 1.896 0 50 FDAA CC(=O)c1cc(C(=O)N[C@H]2CCCN(C3CCN(C)CC3)C2)c(=O)[nH]c1C 72133185 HXHKEOAGBIDLJV-HNNXBMFYSA-N 374.485 1.174 0 50 FDAA CC[C@@H]1CN(C(=O)CN2CCC(O)CC2)CCC(=O)N1Cc1ccccc1 71767856 AVEOSSUGSOFJHS-GOSISDBHSA-N 373.497 1.483 0 50 FDAA Cc1nc(O)nc(C)c1CCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 219902846 QEBQYXDQRQYNTE-KRWDZBQOSA-N 356.426 1.677 0 50 FDAA COc1cc(CC(=O)N2CCC[C@@](O)(CN(C)C)C2)cc(OC)c1OC 72166246 AKVCDUQKVXRRJI-LJQANCHMSA-N 366.458 1.170 0 50 FDAA CCN(CC(=O)O)C1CCN(C(=O)N[C@H]2C[C@](C)(OC)C2(C)C)CC1 263308681 YGQPKPTUOQDJPF-KSSFIOAISA-N 355.479 1.771 0 50 FDAA O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCO[C@@]2(CNCCOC2)C1 72166081 SJTXKKIRZCBFNJ-NRFANRHFSA-N 369.465 1.878 0 50 FDAA Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(C(=O)c2cnccn2)C1 72435233 XLDJILHSINWCBF-OAHLLOKOSA-N 369.473 1.611 0 50 FDAA CCOC(=O)c1n[nH]cc1CN1CCN(C2CCCCC2)[C@H](CCO)C1 43125060 IJJJAEGTJWZCDO-QGZVFWFLSA-N 364.490 1.788 0 50 FDAA CN(CC(=O)N[C@@H]1CCCN(CC(F)(F)F)C1)C(=O)c1cccs1 288657044 RHNSOHIQBDZMGX-LLVKDONJSA-N 363.405 1.963 0 50 FDAA Cc1cc(NC(=O)N2CCOC[C@H]2c2nc[nH]n2)ccc1S(C)(=O)=O 498570044 LPFXVCJEUKGUOX-LBPRGKRZSA-N 365.415 1.122 0 50 FDAA Cn1nc2n(c1=O)C[C@H](C(=O)NCCc1nc3ccccc3s1)CC2 222823785 RLJOQBNHBODPPK-LLVKDONJSA-N 357.439 1.113 0 50 FDAA CCNCc1ccc(OC[C@@H](O)CN2CCN(CC)CC2)c(OC)c1 20599624 OKGYPAMBVLPZJK-KRWDZBQOSA-N 351.491 1.182 0 50 FDAA Nc1nnc(CNC(=O)[C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)s1 223823610 DTGCIPQQVBWTIG-QMMMGPOBSA-N 372.376 1.677 0 50 FDAA Cc1nn([C@H](C)CCNC(=O)c2c(C(=O)O)cnn2C)c(C)c1Cl 20616617 OPFNPMKUNSATGG-MRVPVSSYSA-N 353.810 1.966 0 50 FDAA O=C(O)c1ccc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCC2CCC2)cc1 223320094 KJHGRTUVTIUWAP-HZPDHXFCSA-N 369.439 1.637 0 50 FDAA C[C@@H](O)CN1CC2(CCC1=O)CCN(C(=O)c1ccc3[nH]nnc3c1)CC2 91655803 JYSLNCFJLRMLNZ-CYBMUJFWSA-N 371.441 1.184 0 50 FDAA O=C(CCc1ccccc1)C(=O)N1CCN(Cc2ccccc2)C[C@@H](O)C1 95506949 BEKLKLYSEXRKEA-HXUWFJFHSA-N 366.461 1.894 0 50 FDAA COc1ccc2c(c1)OC[C@]1(C(=O)O)CN(S(=O)(=O)C(C)C)C[C@H]21 95388869 LXEKEOXGUNYLGP-CZUORRHYSA-N 355.412 1.296 0 50 FDAA O=C(NCc1n[nH]c(-c2ccncc2)n1)[C@H]1CCCN(Cc2ccco2)C1 95520662 BWZNZDQEJDOKBR-HNNXBMFYSA-N 366.425 1.988 0 50 FDAA O=C(NC1CCCCC1)N1CC[C@@]2(O)CCN(c3ncccn3)C[C@H]2C1 91468982 JNCQWDCBRVGIGL-KXBFYZLASA-N 359.474 1.782 0 50 FDAA CC(C)Oc1cc(N2CCC[C@H](c3nccn3CCN(C)C)C2)nc(N)n1 95531632 UIDHEYGDGQSPQH-HNNXBMFYSA-N 373.505 1.988 0 50 FDAA O=C(CN1CCOCC1)N1CCC(c2nccn2Cc2ccncc2)CC1 91444639 YMCNXEMFXQZOAE-UHFFFAOYSA-N 369.469 1.365 0 50 FDAA COCCN(Cc1nccs1)C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 91636965 UWUHECIKUNDVIO-ZDUSSCGKSA-N 351.472 1.909 0 50 FDAA NC(=O)N1CCC[C@H]1C(=O)NC1CCN(Cc2cc(F)cc(F)c2)CC1 96151509 JCOQTPVDMKMATP-INIZCTEOSA-N 366.412 1.589 0 50 FDAA CCn1cc(CNC(=O)c2ccc3c(c2)nc(N2CCOCC2)n3C)cn1 95371576 BNYZSBKPPPLFJC-UHFFFAOYSA-N 368.441 1.556 0 50 FDAA CN1CC23CN(C)CC2(C1)CN(C(=O)[C@@H](c1ccc(F)cc1)N(C)C)C3 95368960 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Cc1cc(C)nc(Cn2cc(-c3cnc(N4CCOCC4)s3)nn2)n1 91350556 MJBGNXLQYZZKCF-UHFFFAOYSA-N 357.443 1.693 0 50 FDAA CCn1ccnc1[C@H]1CCCN(C(=O)c2cc(-n3cnnn3)ccc2O)C1 91931686 GUCRYLAXULRURX-ZDUSSCGKSA-N 367.413 1.604 0 50 FDAA O=C(Cn1ncc2ccccc2c1=O)N1CCN(C2CCSCC2)CC1 97323973 TZHWSYUERSAZNH-UHFFFAOYSA-N 372.494 1.436 0 50 FDAA COc1cccc([C@@H]2CN(C(=O)c3cc(C)n[nH]3)C[C@H]2C(=O)O)c1OC 92036921 YOVGBXXXRHIDLI-QWHCGFSZSA-N 359.382 1.676 0 50 FDAA CC(C)(C)N1C[C@H](C(=O)N2CCCN(Cc3cccnc3)CC2)CC1=O 91645503 HBCGMZLGWFQGQW-QGZVFWFLSA-N 358.486 1.763 0 50 FDAA CCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)Cn1ccnc1C)CC2 91486123 IXOBGUVXQVFSBQ-UHFFFAOYSA-N 370.457 1.227 0 50 FDAA O=C(CCc1n[nH]c2c1CCCC2)N1CCC(c2cc(=O)[nH]cn2)CC1 97463610 OOFSRDWWWLBYPW-UHFFFAOYSA-N 355.442 1.711 0 50 FDAA CC(C)[C@H]1CN(CCC(=O)O)C[C@@H]1NC(=O)c1c[nH]c(=O)c(Cl)c1 91952225 LZLPFVIYEZVTDL-YPMHNXCESA-N 355.822 1.189 0 50 FDAA CCn1ccnc1[C@@H]1CCCN(C(=O)Cn2nnc(-c3ccccc3)n2)C1 91997328 XOQMUWMBXBJYDH-MRXNPFEDSA-N 365.441 1.963 0 50 FDAA COCC(=O)N1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 95517911 GXHWSFVEUYSAAO-KRWDZBQOSA-N 374.485 1.395 0 50 FDAA CCCc1cc(CN(C)C(=O)Nc2cccc(CS(N)(=O)=O)c2)n[nH]1 96165440 RWXHSJCXMUSINM-UHFFFAOYSA-N 365.459 1.815 0 50 FDAA CN(C)CCN1C[C@H](C(=O)N(C)Cc2n[nH]c3c2CCCCC3)CC1=O 95368912 LTKLHVYOUFRGIX-CQSZACIVSA-N 361.490 1.047 0 50 FDAA O=C(Cn1cnc2ccsc2c1=O)NCCc1nc2ccccc2o1 252491625 LOSNTPMTYIAIMO-UHFFFAOYSA-N 354.391 1.958 0 50 FDAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2ccc3c(c2)OCO3)c1O 253623649 CYKPXUICTAWIQR-VIFPVBQESA-N 360.322 1.015 0 50 FDAA biogenic C[C@@H](C(F)(F)F)S(=O)(=O)N(C)c1ccc(N2CCOCC2)nc1 184882105 SOPDVYHATXZFFO-JTQLQIEISA-N 353.366 1.635 0 50 FDAA COC(=O)c1cn(CCC(=O)Nc2nc(C)cs2)cc2c(=O)[nH]nc1-2 263587560 IIEYFVWIBJQRPA-UHFFFAOYSA-N 361.383 1.257 0 50 FDAA COc1ccc(NC(=O)N[C@@H](C)c2cnn(C)c2)cc1NS(C)(=O)=O 266803156 NFVSQOHPWOJPRR-JTQLQIEISA-N 367.431 1.683 0 50 FDAA Cc1nc([C@H]2CCCN(C(=O)NCC3(CN4CCOCC4)CC3)C2)n[nH]1 534631842 ICDYPLIQWYBRQG-HNNXBMFYSA-N 362.478 1.115 0 50 FDAA NCc1nc(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)co1 1940198080 MCKILTIGEAZRBQ-CZUORRHYSA-N 352.394 1.669 0 50 FDAA CCc1nnc(CN(C)C(=O)C2CCN(C(=O)[C@H]3CCCO3)CC2)o1 299766042 BADRUKBDFXAVJH-CYBMUJFWSA-N 350.419 1.008 0 50 FDAA CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N(C)Cc1nc2cc(C)c(C)cc2[nH]1 299785958 LDQHHCVJJYRTEX-KRWDZBQOSA-N 368.441 1.609 0 50 FDAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)NCCCN1CCOCC1)(C3)C2 822692531 CZHXKMQXJZJTLU-GSEOLPGOSA-N 350.503 1.936 0 50 FDAA Cc1cc(=O)cc(C(=O)N2CCOC3(CCN(C(=O)C4CCC4)CC3)C2)o1 828407788 UMHYCOMVVNLOOW-UHFFFAOYSA-N 374.437 1.582 0 50 FDAA C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ncon1 271137800 RLNIFNMVLUIOCH-WDEREUQCSA-N 358.354 1.071 0 50 FDAA Cc1ccccc1OCCC(=O)N[C@H]1CCOC[C@H]1Nc1ccncn1 952888755 OXFVCPGVVFGALK-JKSUJKDBSA-N 356.426 1.940 0 50 FDAA C=CC(=O)N1CCC2(CCC[C@H]2CNC(=O)[C@@]2(CC)CCNC2=O)CC1 1875387944 GNUMIOGDIFQANV-YWZLYKJASA-N 361.486 1.614 0 50 FDAA O=C(Nc1cn(CC(F)(F)F)nc1C1CC1)N1CCN2C(=O)OC[C@H]2C1 1875318351 GSCDBANVRLBUMH-SNVBAGLBSA-N 373.335 1.991 0 50 FDAA CON1CCC(CC(=O)NS(=O)(=O)c2cccc3cccnc23)CC1 1875313449 QUZYVVWIQKRYGJ-UHFFFAOYSA-N 363.439 1.703 0 50 FDAA C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2ncnn3cccc23)CC12CCOCC2 1875405122 TXONMASPSFGPAA-IIAWOOMASA-N 355.442 1.487 0 50 FDAA O=C(c1ccc2ncccc2c1)N1CCN([C@@]2(C(=O)O)CCOC2)CC1 886077581 LOMQIKKLTJAJBN-IBGZPJMESA-N 355.394 1.236 0 50 FDAA COc1ccc(F)c(CN2C[C@H](C(C)C)[C@@H](NS(=O)(=O)N(C)C)C2)c1 1565510516 UXMMPDPLPLCBGD-WBVHZDCISA-N 373.494 1.687 0 50 FDAA O[C@@H](COc1cccc2[nH]ccc12)CN1CCC(Cn2cncn2)CC1 186254720 XTYWUEHDBXMQKQ-MRXNPFEDSA-N 355.442 1.911 0 50 FDAA CCOc1cnc(C(=O)N2CCCN(c3nc(CC)ns3)CC2)cn1 188360163 ZRHXQVGGRAHVJU-UHFFFAOYSA-N 362.459 1.642 0 50 FDAA COc1cc2c(cc1OC)CN(S(=O)(=O)CCCOC(C)=O)CC2 225658991 BGYMWCBPHBYOLR-UHFFFAOYSA-N 357.428 1.345 0 50 FDAA C[C@H](CNS(=O)(=O)c1cnn(-c2ccccc2)c1)N1CCCCC1=O 194593230 CCWKWZDOARHVPW-CQSZACIVSA-N 362.455 1.552 0 50 FDAA C[C@H]1CN(C(=O)CN2CCC(C(=O)N3CCc4ccccc43)CC2)CCO1 194969420 RMFSCSKZBKJTKF-INIZCTEOSA-N 371.481 1.535 0 50 FDAA Cc1ccc([C@H](C(=O)O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)cc1F 1529110006 IPBGHVHHHDCNDC-CQSZACIVSA-N 363.389 1.618 0 50 FDAA COC[C@@H](O)CNC(=O)c1c(N(C)C)noc1-c1ccc(F)c(OC)c1 1704315555 JZORMAXMILDVDJ-NSHDSACASA-N 367.377 1.292 0 50 FDAA COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccoc3C)CC2)cc1 13331548 NBLPXIGCZLDWRU-UHFFFAOYSA-N 364.423 1.743 0 50 FDAA CCC[C@@H]1NC(=O)[C@H]2CN(Cc3cccc4ncccc34)CCN2C1=O 14733861 XHBAFGUTBXSQIN-ZWKOTPCHSA-N 352.438 1.546 0 50 FDAA CC(=O)NCC(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 14958285 PXVHHKAJMQZAIH-LBPRGKRZSA-N 357.332 1.059 0 50 FDAA O=C1CC[C@H](CCNCCOc2ccc(F)cc2)N1C[C@H]1COCCO1 14974275 BZXQAKBUKJRMOR-AEFFLSMTSA-N 366.433 1.591 0 50 FDAA CCc1nnc(N2C[C@@H](C(=O)N(CCO)Cc3ccccc3)CC2=O)s1 1857695330 DXQOVGXQJSBRGD-AWEZNQCLSA-N 374.466 1.475 0 50 FDAA O=C(CNC(=O)OCc1ccccc1)N[C@@H](Cc1ccc(O)cc1)C(=O)O 2516112 YYPNBRMRXNXSDE-INIZCTEOSA-N 372.377 1.431 0 50 FDAA biogenic,in-vitro CC(=O)N(CC(=O)O)[C@@H]1CCCN(C(=O)CC[C@@H]2CCCCO2)CC1 328647252 TWFIBRIKNAYCIV-CVEARBPZSA-N 354.447 1.650 0 50 FDAA C[C@@H]1CN(C(=O)c2cn(C3CCNCC3)nn2)C[C@@H](c2ccccc2)O1 237551230 CHSLDDWCMCPSNC-KDOFPFPSSA-N 355.442 1.805 0 50 FDAA Cc1cc(C)n(CC(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)n1 497498929 HWRVEWLTPNTTGF-APWZRJJASA-N 353.426 1.516 0 50 FDAA Cc1noc(C)c1C(=O)NCc1ccnc(CNC(=O)c2cnccn2)c1 2100537245 KHWYZDKKKCJAME-UHFFFAOYSA-N 366.381 1.336 0 50 FDAA Cn1cc(CN2CC[C@@H](O)C2)c(C(=O)NCc2ccc3cnccc3c2)n1 2325784377 YHGYKAHHXKVXAL-GOSISDBHSA-N 365.437 1.465 0 50 FDAA C[C@H]1CN2C(=O)[C@H](Cc3sccc3Br)NC(=O)[C@@H]2CO1 2325801697 SFYOIMWRCLNUKK-HGNGGELXSA-N 359.245 1.167 0 50 FDAA Cc1nc2n(c1Br)CCN(Cc1nnc3cccnn13)[C@H]2C 2325804011 OZIOYKYKUVEVMZ-JTQLQIEISA-N 362.235 1.969 0 50 FDAA CNC(=O)c1cc(NCc2ccc(-n3cncn3)cc2)cc(C(=O)NC)c1 2325864878 CGLMCDZFJNULJL-UHFFFAOYSA-N 364.409 1.599 0 50 FDAA O=C(CCC1CC1)NCc1cc(O)nc(CNC(=O)c2ccncc2)n1 2325873899 YCRQIDPVIUZWCX-UHFFFAOYSA-N 355.398 1.314 0 50 FDAA COc1ccc([C@@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)C(=O)O)cc1F 2325877173 LHEGMYYVKACVIH-ZUZCIYMTSA-N 362.361 1.010 0 50 FDAA CCOc1ccc(N2C(=O)C[C@H](N3CCC(C(=O)OC)CC3)C2=O)cc1 723455 CRXNICKNYGWYEX-INIZCTEOSA-N 360.410 1.602 0 50 FDAA COc1cccc2c1C1(CCN(C(=O)CCc3nc(O)n[nH]3)CC1)OCC2 2356139020 JWVKICHKOMJMLD-UHFFFAOYSA-N 372.425 1.542 0 50 FDAA O=C(CCc1ccccc1Cl)N1CCC2(CC1)C[C@@H](O)[C@@H](O)CO2 2356140237 ZWZDQQBKWYISRP-CVEARBPZSA-N 353.846 1.776 0 50 FDAA COc1ccccc1CCNC(=O)CN1CCC[C@@]12CCCN(C)C2=O 2356140386 GXKJLLKVZHHYPV-HXUWFJFHSA-N 359.470 1.441 0 50 FDAA CC[C@H](Sc1nnc(N)s1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2891217 MRTHCLZKTNPDFX-VIFPVBQESA-N 373.485 1.277 0 50 FDAA O=C([C@@H]1CCCO1)N1CCN(C(=S)Nc2ccc(F)cc2F)CC1 2857946 WMTAQVZURFYLGT-AWEZNQCLSA-N 355.410 1.985 0 50 FDAA COCCN1C(=O)c2ccc(C(=O)Nc3cccc(C(=O)O)c3)cc2C1=O 2863223 LLKSJRZNAZATOA-UHFFFAOYSA-N 368.345 1.880 0 50 FDAA CS(=O)(=O)c1ccc(N2CCc3nc(-c4ccccc4)nn3CC2)nc1 2356170167 YFUSEEJTNPUWAP-UHFFFAOYSA-N 369.450 1.806 0 50 FDAA 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371.485 1.909 0 50 FDAA Cc1n[nH]c(C)c1C(=O)N1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1 1857721081 YLLBTBVICXBCRB-LPHOPBHVSA-N 361.417 1.594 0 50 FDAA COCCC[C@@]1(CO)CN(C(=O)Cc2cn(C)c3ccccc23)CC[C@H]1O 1857721653 ZRIRVPSCDCXKAT-CTNGQTDRSA-N 374.481 1.719 0 50 FDAA CN(CCc1ncon1)C(=O)[C@H]1CC(=O)N(c2nc3ccccc3s2)C1 1857738136 SCXRFNXKYZWAIJ-NSHDSACASA-N 371.422 1.733 0 50 FDAA COCc1nnc(N2C[C@H](C(=O)N3CC(c4ccccn4)C3)CC2=O)s1 1857738839 ATVJAHXDLHEIGF-LLVKDONJSA-N 373.438 1.058 0 50 FDAA NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)OCc1ccccc1 2516164 QGZDXQHLEQAGJB-INIZCTEOSA-N 355.394 1.126 0 50 FDAA in-vitro O=C([C@@H]1CNC[C@@H](C(=O)N2CCC(c3ccncn3)CC2)C1)N1CCCC1 247753515 CDTGVSRZWIDVBU-IRXDYDNUSA-N 371.485 1.031 0 50 FDAA CO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C[C@H]1NC(=O)Cc1ccccc1C 941761772 BJYOOAYBHRYLMW-WJFTUGDTSA-N 356.466 1.926 0 50 FDAA CS(=O)(=O)CC1(CC(=O)Nc2nccc(Br)c2O)CC1 913026069 GBPHCHQXEPEEJK-UHFFFAOYSA-N 363.233 1.703 0 50 FDAA N=C(O)C1(O)CCN(C(=O)c2cccc(I)c2)CC1 330365999 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374.528 1.483 0 50 FDAA CN(Cc1ccno1)C(=O)C[C@H]1C(=O)NCCN1CCCc1ccccc1 11816649 PCPGNVZNHQZWPH-SFHVURJKSA-N 370.453 1.456 0 50 FDAA Cc1nc2ccccc2n1Cc1cc(C(=O)NC2(C(N)=O)CCCC2)no1 67805464 XTYCEDNZPGNEMY-UHFFFAOYSA-N 367.409 1.909 0 50 FDAA CC(C)NC(=O)c1ccccc1NC(=O)C1CCN(S(C)(=O)=O)CC1 65365423 ATRKTBIZUORZEG-UHFFFAOYSA-N 367.471 1.435 0 50 FDAA Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cc1C(=O)O 283833542 FHCRFUQGHMKNDE-CABCVRRESA-N 368.455 1.095 0 50 FDAA COc1cccc(CN2C[C@@H](C(=O)N(C)Cc3nonc3C)CCC2=O)c1 12585769 CAGWLTOQGVKHMQ-HNNXBMFYSA-N 372.425 1.784 0 50 FDAA Cc1ccc(C2(O)CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)nc1 67788963 YWYPISLPNJJWAJ-UHFFFAOYSA-N 374.462 1.917 0 50 FDAA COCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OC)c(OC)c1 4777062 ZNNIXZSTBLYIEC-INIZCTEOSA-N 374.397 1.774 0 50 FDAA CCn1c(N)nc2cc(C(=O)NCCc3nc4c(s3)CCC4)cnc21 77485745 GOODEMUULPPBKK-UHFFFAOYSA-N 356.455 1.951 0 50 FDAA NC(=O)C1(C(=O)N2CCC[C@@]3(CCC(=O)N(Cc4ccccn4)C3)C2)CC1 72425906 WXIYKZDIZPESHB-LJQANCHMSA-N 370.453 1.078 0 50 FDAA COCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1 72126723 DWXUWHMQVXMEIK-GOSISDBHSA-N 355.438 1.293 0 50 FDAA C[C@H]1CN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)CCN1C[C@@H](C)O 174286889 KYOJOAVBLLMFDX-DLBZAZTESA-N 373.497 1.452 0 50 FDAA CCOC(=O)[C@]12CCCN[C@@H]1CCN(Cc1cc(=O)c(OC)co1)C2 72147122 JNPWWAMTBNBVJG-AEFFLSMTSA-N 350.415 1.156 0 50 FDAA CN(C)Cc1nnc([C@H]2CCCN(C(=O)CSc3ccccn3)C2)n1C 72473847 MIFFMMVMFOXMPX-AWEZNQCLSA-N 374.514 1.770 0 50 FDAA CC(C)N(C)C(=O)CN1CCC[C@@H](c2cc(N3CCOCC3)ncn2)C1 72408006 DYNYWJAUYJXXHO-MRXNPFEDSA-N 361.490 1.359 0 50 FDAA CC(C)(CNC(=O)NCc1ccnc(-n2ccnc2)c1)N1CCOCC1 363379128 LFHXQDXMKVVDTK-UHFFFAOYSA-N 358.446 1.177 0 50 FDAA COCCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F 72147933 YVESIUFXCFTCJJ-AWEZNQCLSA-N 373.375 1.159 0 50 FDAA CC[C@@H](Nc1nc(NCCOC)nc2c1CCNCC2)c1cnn(C)c1 72476806 UQDKQMKYECIJNI-OAHLLOKOSA-N 359.478 1.520 0 50 FDAA O=C(O)[C@@H]1CC12CCN(C(=O)[C@@H]1CCCCN1C(=O)c1ccco1)CC2 262404881 ICAKBSRZZHXCJH-KBPBESRZSA-N 360.410 1.988 0 50 FDAA CCN1C(=O)CC[C@H](C(=O)Nc2ccc(C)nc2O)[C@H]1c1cnn(C)c1 375407982 ZPEQCUDAERPSMO-XJKSGUPXSA-N 357.414 1.767 0 50 FDAA CCCn1c(CO)nnc1S(=O)(=O)CCCc1ccccc1OC 285145463 POIKTKXZOAQMOV-UHFFFAOYSA-N 353.444 1.596 0 50 FDAA COc1ccc(-c2noc([C@@H](C)NC(=O)CCC3=NNC(=O)CC3)n2)cc1 219947920 SNCLFZQJPCZDKR-LLVKDONJSA-N 371.397 1.969 0 50 FDAA CCOCCn1c(=O)[nH]c2cc(C(=O)N(CC)Cc3noc(C)n3)ccc21 77554289 JXIWEOAFMSTSTH-UHFFFAOYSA-N 373.413 1.720 0 50 FDAA CN1CC2(CCNCC2)C[C@H]1C(=O)NC1CCN(Cc2cccnc2)CC1 72411631 PCPFGMDDQNSPFK-IBGZPJMESA-N 371.529 1.236 0 50 FDAA O=C(CCNC(=O)N1CCC(Cc2cccnc2)CC1)N1CCOCC1 378423074 KZWSCYWJPNDCKF-UHFFFAOYSA-N 360.458 1.295 0 50 FDAA O=C([C@H]1CCOC1)N1CCC(N2CCN(Cc3ccccc3)CC2)CC1 216079909 HMQUCJADBGVRPP-IBGZPJMESA-N 357.498 1.832 0 50 FDAA CN(C)Cc1nnc([C@@H]2CCCN(C(=O)CN(C)c3ccccc3)C2)n1C 72479272 LGWUKZDUXPDCIW-MRXNPFEDSA-N 370.501 1.719 0 50 FDAA COCCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1 72135391 VXMNWILNLLJACS-AWEZNQCLSA-N 373.375 1.159 0 50 FDAA O=C(O)[C@H]1CC2(CCNCC2)CN1C(=O)c1cc(=O)[nH]c2ccc(F)cc12 72154693 SXKDKEOPZMGRBO-OAHLLOKOSA-N 373.384 1.336 0 50 FDAA C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCCc2occc2C1 288737760 HDIDPJLPZBOCFC-OAHLLOKOSA-N 355.442 1.555 0 50 FDAA COc1cccc(N2CCN(C(=O)c3ccc(C)[nH]c3=O)[C@@H](C)C2=O)c1 222816356 LNVHFAUBOFTLFD-ZDUSSCGKSA-N 355.394 1.569 0 50 FDAA Cc1n[nH]c(C)c1CCCNC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O 426593810 PVOACHKCLXNTSU-INIZCTEOSA-N 359.430 1.061 0 50 FDAA O=C(NCc1ccccn1)C1CCN(C(=O)NC[C@@H]2CCCCO2)CC1 426533642 ANBFHCAVMQNNPG-KRWDZBQOSA-N 360.458 1.689 0 50 FDAA Cc1nccn1CC1(CNC(=O)C2CCN(C3CCOCC3)CC2)CC1 97653945 VRTGPNWOTDWLAS-UHFFFAOYSA-N 360.502 1.979 0 50 FDAA CSc1nccc(N2CCC(c3nnc(Cn4cccn4)n3C)CC2)n1 91656111 ZXGCLPFFQKDGMM-UHFFFAOYSA-N 370.486 1.956 0 50 FDAA Cc1nnnn1CC(=O)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 91587226 SRQPKACLWGXSFX-MRXNPFEDSA-N 366.429 1.028 0 50 FDAA CN(Cc1ncc[nH]1)Cc1cc(-c2cnccn2)ccc1OCC(=O)O 97785509 SKBAJIXXEHRDQH-UHFFFAOYSA-N 353.382 1.962 0 50 FDAA Cc1ncc(S(C)(=O)=O)c(N(C)Cc2cccc(-c3nnn[nH]3)c2)n1 95352837 YTQWOASZAIPFQV-UHFFFAOYSA-N 359.415 1.005 0 50 FDAA Nc1ncccc1CN1CCC[C@H](CNS(=O)(=O)c2cccs2)C1 95504285 WYEAWFVDVSPHAE-CYBMUJFWSA-N 366.512 1.916 0 50 FDAA COCCc1nc([C@@H](C)CN2CCOCC2)n(-c2ccccc2C(=O)O)n1 96137654 ZLIYSQJONDNTOF-AWEZNQCLSA-N 374.441 1.590 0 50 FDAA Cc1cc(N)n(CC(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)n1 95365921 JASYXMWAQKJANP-ZWKOTPCHSA-N 353.470 1.897 0 50 FDAA CC1=CCN(S(=O)(=O)c2cccc(C(=O)NC[C@H]3CCCO3)c2)CC1 95370844 KMGYFIJHEFQWPV-MRXNPFEDSA-N 364.467 1.936 0 50 FDAA CCOc1ccc(Cl)cc1CN(C)C(=O)[C@@H]1CCC(=O)NC(=O)N1 97370340 BAYKCWGJLPTOTE-LBPRGKRZSA-N 353.806 1.685 0 50 FDAA CC(=O)N1CCC(N2CCC[C@@H](c3nnc(Cn4cccn4)n3C)C2)CC1 91656071 ADWFACHOMXRZDZ-MRXNPFEDSA-N 371.489 1.250 0 50 FDAA O=C(O)[C@@H]1COCCN1C(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1 268978352 LEQBARFXYNGHMK-LBPRGKRZSA-N 358.272 1.992 0 50 FDAA COc1cccc(-c2cc(C(=O)NCCN3CCCC[C@@H]3CO)n[nH]2)c1 91906789 LPDRODDGBAACRW-OAHLLOKOSA-N 358.442 1.662 0 50 FDAA NC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1 95508139 LYEAAOKGVFZDQP-LBPRGKRZSA-N 352.398 1.265 0 50 FDAA CS(=O)(=O)C[C@@H]1CCCN(C(=O)Cn2ccc3ccccc3c2=O)C1 95512673 NVAUIMVLZKPTNI-CQSZACIVSA-N 362.451 1.285 0 50 FDAA Cc1cc(C)n2nc(C(=O)NC[C@H](Cc3ccccc3)C(=O)O)nc2n1 237708932 KHHHSUVCMLTQNE-AWEZNQCLSA-N 353.382 1.414 0 50 FDAA CNC(=O)CCc1cccc(NC(=O)NCCc2cc(=O)[nH]c(C)n2)c1 97675317 JIPLQYGXIUBEPG-UHFFFAOYSA-N 357.414 1.121 0 50 FDAA COc1ccc([C@H](C(=O)O)N2CCCN(c3ncccn3)CC2)c(OC)n1 95392051 IPDQKNXAYZDHBA-OAHLLOKOSA-N 373.413 1.227 0 50 FDAA O=C(CCc1cccnc1)N[C@H]1C[C@@H](c2cc(N3CCOCC3)ncn2)C1 243956916 CEHSCGPTUICCAZ-CALCHBBNSA-N 367.453 1.703 0 50 FDAA O=C(N[C@H]1C[C@@H](c2cc(NCCO)ncn2)C1)c1ccc2nccn2c1 244811679 SJCYUQYJVRAGHZ-OKILXGFUSA-N 352.398 1.205 0 50 FDAA COCCn1ccc2c(OCC(=O)Nc3nc(COC)n[nH]3)cccc21 263587897 MOFFOHIKOJNGTF-UHFFFAOYSA-N 359.386 1.570 0 50 FDAA CC(C)(O)CCc1cccc(C(=O)N2CCN(Cc3nnc[nH]3)CC2)c1 299800950 WRYPKTVNDOBHRA-UHFFFAOYSA-N 357.458 1.466 0 50 FDAA 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FDAA O=C1CC[C@@H](OC(=O)c2nc3ccccc3cc2Br)C(=O)N1 808704886 MKNAPNMYJWSXMQ-LLVKDONJSA-N 363.167 1.959 0 50 FDAA O=C(c1cc2c(nc1O)CCCC2)N1CCC[C@@]12CCCN(CCO)C2=O 2100557190 PBEMHXVBUKIAKV-HXUWFJFHSA-N 373.453 1.256 0 50 FDAA C=CC(=O)N1CCC[C@H](C(=O)Nc2ccc3[nH]c(C(=O)NC)cc3c2)C1 2325889127 APIFDQKEDLLCBY-LBPRGKRZSA-N 354.410 1.891 0 50 FDAA CC(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1 125059794 QVOJXJLAZWIBJV-UYAOXDASSA-N 373.497 1.681 0 50 FDAA CN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)C(=O)c1ccc2nn[nH]c2n1 416240113 IUOPRITVGAYJIC-IRXDYDNUSA-N 366.425 1.497 0 50 FDAA C[C@@]1(O)CCOC2(CCN(C(=O)c3ccc4ncccc4c3)CC2)[C@H]1O 2356136036 DOGJQZVDQSBPHS-RBUKOAKNSA-N 356.422 1.742 0 50 FDAA CS(=O)(=O)c1ccc(CN2CCC[C@@]23CCCN(CCO)C3=O)cc1 2356139203 FBPRMPGAPGLFQW-GOSISDBHSA-N 366.483 1.039 0 50 FDAA O=C(c1ccc2nn[nH]c2c1)N1CCc2nc(-c3ccccc3)nn2CC1 2356141559 HJHSEYFLQFTKLH-UHFFFAOYSA-N 359.393 1.915 0 50 FDAA O=C(O)CNc1cccc(C(=O)NCc2ccccc2-n2cncn2)c1 55131893 DQDIPWHDVXVERT-UHFFFAOYSA-N 351.366 1.694 0 50 FDAA CCN(Cc1ccncc1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccnc1 55182711 HCVGZDVOYZQAEP-GOSISDBHSA-N 367.453 1.216 0 50 FDAA O=C(Cc1ccc(F)cc1)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 67601919 OKYAQLAFZILQJA-UHFFFAOYSA-N 366.400 1.693 0 50 FDAA CCN1CCN(Cc2cc(C(=O)NC[C@H](O)c3ccccc3)no2)CC1 67772304 UDQORUROLUOMDK-SFHVURJKSA-N 358.442 1.276 0 50 FDAA COCCN1CCC[C@@](O)(CN(C)Cc2cnc3ccccc3c2)C1=O 67955710 CDPLKRWSUHADPE-HXUWFJFHSA-N 357.454 1.667 0 50 FDAA Cc1oc(-c2cccc(Cl)c2)nc1CN1CCN2C(=O)CNC(=O)[C@@H]2C1 67756909 YYOWSZGOEOTQBJ-HNNXBMFYSA-N 374.828 1.446 0 50 FDAA Cc1nccn1-c1ccccc1CNC(=O)C[C@H]1C(=O)NCCN1C(C)C 65395163 ZJTITNFWMICZEB-SFHVURJKSA-N 369.469 1.396 0 50 FDAA Cc1nn(C)c(C)c1[C@H]1[C@H](NCc2ccc3c[nH]nc3c2)CC(=O)N1C 328636404 VLIWODBYEPSCCP-VQIMIIECSA-N 352.442 1.975 0 50 FDAA Cc1ccc(NC(=O)C2CCN(C(=O)[C@H]3CC34CCNCC4)CC2)nc1 137192084 CYYRYNRFHRUTHV-MRXNPFEDSA-N 356.470 1.957 0 50 FDAA COc1ccc(F)c(CN2CCC[C@@](O)(CNCc3ccncc3)C2=O)c1 67847650 JKCBYQXVKKHTII-HXUWFJFHSA-N 373.428 1.873 0 50 FDAA C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCC(O)(C(F)F)CC1 332343081 NIJQGHSWWVDIBI-NSHDSACASA-N 353.369 1.452 0 50 FDAA CNS(=O)(=O)C1CCN(S(=O)(=O)c2cccc3ccoc23)CC1 333398080 IEXYPQYINJKECX-UHFFFAOYSA-N 358.441 1.135 0 50 FDAA Cc1cccc(CN2CCN(C(=O)Cc3c(C)nc(N)nc3C)CC2)c1 72475919 NPVGRCKBLMTNHD-UHFFFAOYSA-N 353.470 1.871 0 50 FDAA COc1ccc(OC[C@H]2CCCN(C(=O)CCn3nnnc3C)C2)cc1 77426018 DBCIKIUBSNSOKM-HNNXBMFYSA-N 359.430 1.698 0 50 FDAA CCN1CCN(S(=O)(=O)c2ccc(Br)c(OC)c2)CC1 36369577 PSLVKVKOUHPTSN-UHFFFAOYSA-N 363.277 1.784 0 50 FDAA CN(Cc1cnn(C)c1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CC(C)(C)C)C(=O)[C@H]13)O2 77536526 BGOINCZUAWNFJH-QOIOWGMHSA-N 372.469 1.207 0 50 FDAA CCN1CCN(C2CCN(C(=O)Cc3c[nH]c4ncccc34)CC2)C1=O 361310076 OICJWYGDUGBVAY-UHFFFAOYSA-N 355.442 1.854 0 50 FDAA O=C(c1n[nH]c2c1CCC2)N1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 72169509 QPSMLFODVJYRMW-UHFFFAOYSA-N 362.393 1.242 0 50 FDAA COc1nc2c(cc1CNC(=O)[C@@H](N)CC(C)C)C(=O)N(C1CCCC1)C2 71774475 KONSRSDFDVUMFC-INIZCTEOSA-N 374.485 1.978 0 50 FDAA O=C(CN1CC[C@@H](n2cncn2)C1)N1CCN(c2ccccc2F)CC1 368888347 LYVAVOQSXCERGX-OAHLLOKOSA-N 358.421 1.013 0 50 FDAA CN(C)S(=O)(=O)c1ccc2c(c1)C(=O)[C@@H](c1ccccc1)S2(=O)=O 71769462 OUFPZZYVIUFQFL-MRXNPFEDSA-N 365.432 1.648 0 50 FDAA COc1ccccc1N1CC[C@H](NC(=O)Cn2c(=O)[nH]c3ccccc32)C1 156837187 ORWLLUWBOLLYMA-AWEZNQCLSA-N 366.421 1.733 0 50 FDAA CCOc1ncccc1CNc1nc(N(C)C)nc2c1CCN(C(C)=O)C2 71754781 NUFZZEXYWKZKQT-UHFFFAOYSA-N 370.457 1.853 0 50 FDAA NC(=O)C1(C(=O)N2CCC[C@]3(CCC(=O)N(Cc4ccccn4)C3)C2)CC1 72425905 WXIYKZDIZPESHB-IBGZPJMESA-N 370.453 1.078 0 50 FDAA O=C(COc1cccc(N2CCCC2=O)c1)N1CCC[C@@H](c2nn[nH]n2)C1 378256290 RWYVEUDALXBQNI-CYBMUJFWSA-N 370.413 1.112 0 50 FDAA Cc1ccc2nc(CCC(=O)N3C[C@H]4C[C@H](O)[C@H](O)C[C@H]4C3)[nH]c2c1C 71730390 HFYXBJCFGBZILL-ULAZLLGUSA-N 357.454 1.703 0 50 FDAA O=C(O)[C@H]1CC2(CCNCC2)CN1S(=O)(=O)c1cc2ccccc2o1 72157142 XRJDHJLNWFSUNT-CYBMUJFWSA-N 364.423 1.650 0 50 FDAA Cc1nonc1CC(=O)N[C@@H]1CCOC[C@H]1OCc1c(C)noc1C 222491560 CILBFQRTGQYKLE-UKRRQHHQSA-N 350.375 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